NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2074 | 1bcn | 4094 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1102 H/Q atoms Start of MODEL 1 1 1H GLU 1 HT2 GLU 1 -20.354 15.600 10.333 2 2H GLU 1 HT1 GLU 1 -19.206 14.744 11.248 3 3H GLU 1 HT3 GLU 1 -19.624 16.330 11.682 4 HA GLU 1 HA GLU 1 -18.447 17.285 9.975 5 1HB GLU 1 HB2 GLU 1 -16.289 16.534 10.326 6 2HB GLU 1 HB1 GLU 1 -17.100 15.705 11.654 7 1HG GLU 1 HG2 GLU 1 -17.464 13.766 10.009 8 2HG GLU 1 HG1 GLU 1 -16.287 14.574 8.973 9 H ALA 2 HN ALA 2 -19.392 13.975 9.274 10 HA ALA 2 HA ALA 2 -18.386 14.028 6.538 11 1HB ALA 2 HB1 ALA 2 -18.825 11.946 7.985 12 2HB ALA 2 HB3 ALA 2 -20.531 12.185 7.603 13 3HB ALA 2 HB2 ALA 2 -19.371 11.878 6.310 14 H GLU 3 HN GLU 3 -19.636 14.329 4.642 15 HA GLU 3 HA GLU 3 -22.364 15.472 5.096 16 1HB GLU 3 HB2 GLU 3 -20.132 16.416 3.292 17 2HB GLU 3 HB1 GLU 3 -21.812 16.862 2.993 18 1HG GLU 3 HG2 GLU 3 -21.991 17.920 5.157 19 2HG GLU 3 HG1 GLU 3 -20.408 17.309 5.640 20 H ALA 4 HN ALA 4 -20.411 14.530 2.243 21 HA ALA 4 HA ALA 4 -22.783 13.182 1.125 22 1HB ALA 4 HB3 ALA 4 -21.136 14.626 -0.221 23 2HB ALA 4 HB2 ALA 4 -20.020 13.266 -0.095 24 3HB ALA 4 HB1 ALA 4 -21.567 13.064 -0.917 25 H HIS 5 HN HIS 5 -19.381 12.267 1.750 26 HA HIS 5 HA HIS 5 -20.030 9.816 3.059 27 1HB HIS 5 HB2 HIS 5 -20.465 9.677 0.300 28 2HB HIS 5 HB1 HIS 5 -18.888 8.923 0.533 29 HD1 HIS 5 HD1 HIS 5 -22.516 8.453 1.221 30 HD2 HIS 5 HD2 HIS 5 -18.927 6.599 2.249 31 HE1 HIS 5 HE1 HIS 5 -23.130 6.210 2.225 32 H LYS 6 HN LYS 6 -18.018 8.408 3.268 33 HA LYS 6 HA LYS 6 -15.599 10.150 3.093 34 1HB LYS 6 HB2 LYS 6 -14.696 8.601 4.882 35 2HB LYS 6 HB1 LYS 6 -16.081 9.571 5.381 36 1HG LYS 6 HG2 LYS 6 -17.545 7.758 5.329 37 2HG LYS 6 HG1 LYS 6 -16.542 6.853 4.194 38 1HD LYS 6 HD2 LYS 6 -16.595 6.166 6.741 39 2HD LYS 6 HD1 LYS 6 -15.071 6.140 5.853 40 1HE LYS 6 HE2 LYS 6 -14.314 8.128 6.836 41 2HE LYS 6 HE1 LYS 6 -15.942 8.642 7.277 42 1HZ LYS 6 HZ2 LYS 6 -15.890 6.504 8.712 43 2HZ LYS 6 HZ1 LYS 6 -14.204 6.660 8.578 44 3HZ LYS 6 HZ3 LYS 6 -15.117 7.909 9.273 45 H CYS 7 HN CYS 7 -16.619 8.529 0.927 46 HA CYS 7 HA CYS 7 -14.278 6.698 0.601 47 1HB CYS 7 HB2 CYS 7 -17.144 6.108 0.410 48 2HB CYS 7 HB1 CYS 7 -16.231 5.592 -1.007 49 H ASP 8 HN ASP 8 -16.154 9.269 -0.750 50 HA ASP 8 HA ASP 8 -15.224 8.737 -3.490 51 1HB ASP 8 HB2 ASP 8 -17.378 10.182 -2.320 52 2HB ASP 8 HB1 ASP 8 -16.387 11.336 -3.213 53 H ILE 9 HN ILE 9 -14.722 11.210 -0.961 54 HA ILE 9 HA ILE 9 -12.613 12.456 -2.616 55 HB ILE 9 HB ILE 9 -13.581 13.176 0.168 56 1HG1 ILE 9 HG12 ILE 9 -14.277 14.354 -2.543 57 2HG1 ILE 9 HG11 ILE 9 -15.351 13.359 -1.559 58 1HG2 ILE 9 HG22 ILE 9 -11.274 13.963 -1.204 59 2HG2 ILE 9 HG21 ILE 9 -12.414 15.278 -1.481 60 3HG2 ILE 9 HG23 ILE 9 -12.007 14.797 0.166 61 1HD1 ILE 9 HD11 ILE 9 -14.136 15.973 -0.624 62 2HD1 ILE 9 HD13 ILE 9 -15.758 15.826 -1.302 63 3HD1 ILE 9 HD12 ILE 9 -15.358 15.015 0.212 64 H THR 10 HN THR 10 -12.745 11.207 0.766 65 HA THR 10 HA THR 10 -9.964 11.227 1.212 66 HB THR 10 HB THR 10 -12.128 9.409 2.277 67 HG1 THR 10 HG1 THR 10 -11.899 10.702 4.052 68 1HG2 THR 10 HG23 THR 10 -9.173 9.234 2.552 69 2HG2 THR 10 HG22 THR 10 -10.103 9.082 4.043 70 3HG2 THR 10 HG21 THR 10 -10.394 7.970 2.706 71 H LEU 11 HN LEU 11 -11.799 8.250 0.440 72 HA LEU 11 HA LEU 11 -9.564 6.670 -0.172 73 1HB LEU 11 HB2 LEU 11 -12.433 6.503 -0.561 74 2HB LEU 11 HB1 LEU 11 -11.566 5.790 -1.923 75 HG LEU 11 HG LEU 11 -10.164 4.509 -0.265 76 1HD1 LEU 11 HD11 LEU 11 -12.214 5.619 1.671 77 2HD1 LEU 11 HD13 LEU 11 -11.076 4.325 2.045 78 3HD1 LEU 11 HD12 LEU 11 -10.480 5.944 1.679 79 1HD2 LEU 11 HD22 LEU 11 -13.163 4.140 -0.371 80 2HD2 LEU 11 HD21 LEU 11 -11.927 3.274 -1.282 81 3HD2 LEU 11 HD23 LEU 11 -12.113 2.983 0.447 82 H GLN 12 HN GLN 12 -11.203 9.041 -2.224 83 HA GLN 12 HA GLN 12 -10.098 8.268 -4.729 84 1HB GLN 12 HB2 GLN 12 -11.685 9.933 -4.972 85 2HB GLN 12 HB1 GLN 12 -11.118 10.825 -3.562 86 1HG GLN 12 HG2 GLN 12 -9.404 11.864 -4.739 87 2HG GLN 12 HG1 GLN 12 -9.325 10.585 -5.953 88 1HE2 GLN 12 HE22 GLN 12 -12.149 11.869 -7.812 89 2HE2 GLN 12 HE21 GLN 12 -11.410 10.407 -7.365 90 H GLU 13 HN GLU 13 -8.813 10.655 -2.390 91 HA GLU 13 HA GLU 13 -6.365 11.082 -3.813 92 1HB GLU 13 HB2 GLU 13 -7.518 11.861 -1.259 93 2HB GLU 13 HB1 GLU 13 -5.803 11.483 -1.095 94 1HG GLU 13 HG2 GLU 13 -5.769 13.751 -1.702 95 2HG GLU 13 HG1 GLU 13 -5.525 12.936 -3.247 96 H ILE 14 HN ILE 14 -7.447 8.564 -1.646 97 HA ILE 14 HA ILE 14 -4.828 7.548 -0.959 98 HB ILE 14 HB ILE 14 -7.649 6.679 -0.676 99 1HG1 ILE 14 HG12 ILE 14 -5.638 5.910 1.317 100 2HG1 ILE 14 HG11 ILE 14 -5.641 7.637 0.960 101 1HG2 ILE 14 HG21 ILE 14 -5.343 4.739 -0.919 102 2HG2 ILE 14 HG23 ILE 14 -6.792 4.356 0.010 103 3HG2 ILE 14 HG22 ILE 14 -6.912 4.672 -1.720 104 1HD1 ILE 14 HD12 ILE 14 -8.146 6.062 1.604 105 2HD1 ILE 14 HD11 ILE 14 -7.222 6.958 2.808 106 3HD1 ILE 14 HD13 ILE 14 -7.992 7.814 1.472 107 H ILE 15 HN ILE 15 -7.020 7.116 -3.659 108 HA ILE 15 HA ILE 15 -5.716 4.771 -4.750 109 HB ILE 15 HB ILE 15 -7.877 6.631 -5.509 110 1HG1 ILE 15 HG12 ILE 15 -7.529 3.741 -6.313 111 2HG1 ILE 15 HG11 ILE 15 -7.955 4.172 -4.655 112 1HG2 ILE 15 HG21 ILE 15 -6.099 5.344 -7.589 113 2HG2 ILE 15 HG23 ILE 15 -7.752 5.863 -7.921 114 3HG2 ILE 15 HG22 ILE 15 -6.534 7.048 -7.448 115 1HD1 ILE 15 HD12 ILE 15 -9.491 5.021 -7.129 116 2HD1 ILE 15 HD11 ILE 15 -9.972 3.733 -6.025 117 3HD1 ILE 15 HD13 ILE 15 -9.923 5.404 -5.462 118 H LYS 16 HN LYS 16 -5.617 8.263 -5.489 119 HA LYS 16 HA LYS 16 -3.721 8.162 -7.595 120 1HB LYS 16 HB2 LYS 16 -4.469 10.321 -7.382 121 2HB LYS 16 HB1 LYS 16 -4.608 10.204 -5.627 122 1HG LYS 16 HG2 LYS 16 -2.275 10.555 -5.314 123 2HG LYS 16 HG1 LYS 16 -1.927 10.277 -7.020 124 1HD LYS 16 HD2 LYS 16 -2.042 12.516 -7.286 125 2HD LYS 16 HD1 LYS 16 -3.783 12.354 -7.054 126 1HE LYS 16 HE2 LYS 16 -3.710 13.233 -4.959 127 2HE LYS 16 HE1 LYS 16 -2.222 12.378 -4.550 128 1HZ LYS 16 HZ1 LYS 16 -1.209 14.049 -6.255 129 2HZ LYS 16 HZ3 LYS 16 -2.573 14.977 -5.862 130 3HZ LYS 16 HZ2 LYS 16 -1.480 14.519 -4.645 131 H THR 17 HN THR 17 -3.222 8.410 -4.081 132 HA THR 17 HA THR 17 -0.381 8.490 -4.122 133 HB THR 17 HB THR 17 -2.019 7.078 -2.008 134 HG1 THR 17 HG1 THR 17 -2.781 8.936 -1.393 135 1HG2 THR 17 HG21 THR 17 0.629 7.293 -2.149 136 2HG2 THR 17 HG23 THR 17 0.295 8.893 -1.485 137 3HG2 THR 17 HG22 THR 17 -0.220 7.450 -0.611 138 H LEU 18 HN LEU 18 -2.675 5.827 -4.300 139 HA LEU 18 HA LEU 18 -0.939 3.644 -3.923 140 1HB LEU 18 HB2 LEU 18 -3.547 3.817 -4.463 141 2HB LEU 18 HB1 LEU 18 -2.986 3.500 -6.103 142 HG LEU 18 HG LEU 18 -3.519 1.385 -5.012 143 1HD1 LEU 18 HD13 LEU 18 -1.334 1.792 -6.438 144 2HD1 LEU 18 HD12 LEU 18 -0.524 1.454 -4.911 145 3HD1 LEU 18 HD11 LEU 18 -1.590 0.249 -5.630 146 1HD2 LEU 18 HD23 LEU 18 -2.578 2.669 -2.717 147 2HD2 LEU 18 HD22 LEU 18 -3.070 0.979 -2.837 148 3HD2 LEU 18 HD21 LEU 18 -1.374 1.420 -3.036 149 H ASN 19 HN ASN 19 -1.776 5.291 -6.992 150 HA ASN 19 HA ASN 19 0.006 3.793 -8.637 151 1HB ASN 19 HB2 ASN 19 -1.142 6.578 -8.907 152 2HB ASN 19 HB1 ASN 19 -0.152 5.830 -10.161 153 1HD2 ASN 19 HD22 ASN 19 -2.894 4.058 -11.451 154 2HD2 ASN 19 HD21 ASN 19 -1.387 4.792 -11.722 155 H SER 20 HN SER 20 0.546 6.630 -6.607 156 HA SER 20 HA SER 20 3.121 7.306 -7.711 157 1HB SER 20 HB2 SER 20 1.508 8.073 -5.367 158 2HB SER 20 HB1 SER 20 3.249 8.197 -5.130 159 HG SER 20 HG SER 20 3.301 9.807 -6.486 160 H LEU 21 HN LEU 21 2.068 4.981 -5.292 161 HA LEU 21 HA LEU 21 4.672 4.520 -4.144 162 1HB LEU 21 HB2 LEU 21 2.002 3.287 -4.005 163 2HB LEU 21 HB1 LEU 21 3.329 2.140 -3.819 164 HG LEU 21 HG LEU 21 4.098 4.340 -2.271 165 1HD1 LEU 21 HD13 LEU 21 1.129 3.885 -2.217 166 2HD1 LEU 21 HD12 LEU 21 1.968 4.344 -0.735 167 3HD1 LEU 21 HD11 LEU 21 2.023 5.403 -2.144 168 1HD2 LEU 21 HD22 LEU 21 3.146 1.560 -1.863 169 2HD2 LEU 21 HD21 LEU 21 4.610 2.345 -1.272 170 3HD2 LEU 21 HD23 LEU 21 3.075 2.604 -0.443 171 H THR 22 HN THR 22 3.352 3.704 -7.203 172 HA THR 22 HA THR 22 5.078 1.337 -7.538 173 HB THR 22 HB THR 22 3.538 2.626 -9.770 174 HG1 THR 22 HG1 THR 22 1.819 1.125 -8.892 175 1HG2 THR 22 HG23 THR 22 5.009 0.266 -9.431 176 2HG2 THR 22 HG22 THR 22 3.321 -0.244 -9.388 177 3HG2 THR 22 HG21 THR 22 3.936 0.652 -10.776 178 H GLU 23 HN GLU 23 6.046 4.308 -7.266 179 HA GLU 23 HA GLU 23 7.274 4.839 -9.853 180 1HB GLU 23 HB2 GLU 23 6.746 6.707 -8.372 181 2HB GLU 23 HB1 GLU 23 7.768 6.026 -7.106 182 1HG GLU 23 HG2 GLU 23 9.661 6.826 -8.056 183 2HG GLU 23 HG1 GLU 23 9.162 6.314 -9.669 184 H GLN 24 HN GLN 24 8.353 3.548 -6.724 185 HA GLN 24 HA GLN 24 11.031 2.992 -7.862 186 1HB GLN 24 HB2 GLN 24 10.431 3.820 -5.416 187 2HB GLN 24 HB1 GLN 24 10.206 2.094 -5.130 188 1HG GLN 24 HG2 GLN 24 12.446 1.587 -5.657 189 2HG GLN 24 HG1 GLN 24 12.685 3.115 -6.505 190 1HE2 GLN 24 HE22 GLN 24 14.331 3.543 -3.223 191 2HE2 GLN 24 HE21 GLN 24 14.589 2.634 -4.633 192 H LYS 25 HN LYS 25 9.479 1.534 -9.346 193 HA LYS 25 HA LYS 25 9.048 -1.118 -8.091 194 1HB LYS 25 HB2 LYS 25 7.253 -0.156 -9.514 195 2HB LYS 25 HB1 LYS 25 8.366 -0.149 -10.883 196 1HG LYS 25 HG2 LYS 25 8.570 -2.743 -9.917 197 2HG LYS 25 HG1 LYS 25 6.855 -2.377 -9.730 198 1HD LYS 25 HD2 LYS 25 8.298 -1.727 -12.296 199 2HD LYS 25 HD1 LYS 25 7.655 -3.344 -12.006 200 1HE LYS 25 HE2 LYS 25 5.657 -1.419 -11.276 201 2HE LYS 25 HE1 LYS 25 6.241 -1.042 -12.897 202 1HZ LYS 25 HZ2 LYS 25 5.360 -3.734 -12.002 203 2HZ LYS 25 HZ1 LYS 25 4.398 -2.648 -12.887 204 3HZ LYS 25 HZ3 LYS 25 5.808 -3.287 -13.579 205 H THR 26 HN THR 26 11.651 -0.934 -8.045 206 HA THR 26 HA THR 26 12.550 -2.787 -10.111 207 HB THR 26 HB THR 26 14.003 -0.143 -9.973 208 HG1 THR 26 HG1 THR 26 12.889 0.379 -11.873 209 1HG2 THR 26 HG21 THR 26 15.083 -2.299 -10.837 210 2HG2 THR 26 HG23 THR 26 13.936 -2.211 -12.174 211 3HG2 THR 26 HG22 THR 26 15.110 -0.917 -11.933 212 H LEU 27 HN LEU 27 14.029 -0.390 -7.874 213 HA LEU 27 HA LEU 27 15.913 -2.476 -6.981 214 1HB LEU 27 HB2 LEU 27 15.919 0.388 -7.124 215 2HB LEU 27 HB1 LEU 27 16.234 -0.104 -5.459 216 HG LEU 27 HG LEU 27 17.831 -1.865 -6.670 217 1HD1 LEU 27 HD13 LEU 27 17.570 0.448 -8.606 218 2HD1 LEU 27 HD12 LEU 27 18.949 -0.650 -8.598 219 3HD1 LEU 27 HD11 LEU 27 17.332 -1.267 -8.943 220 1HD2 LEU 27 HD22 LEU 27 18.341 0.072 -5.034 221 2HD2 LEU 27 HD21 LEU 27 19.648 -0.453 -6.095 222 3HD2 LEU 27 HD23 LEU 27 18.739 1.010 -6.474 223 H CYS 28 HN CYS 28 13.166 -0.667 -5.675 224 HA CYS 28 HA CYS 28 13.610 -1.845 -3.005 225 1HB CYS 28 HB2 CYS 28 12.440 0.518 -3.909 226 2HB CYS 28 HB1 CYS 28 11.076 -0.456 -3.358 227 H THR 29 HN THR 29 11.605 -2.404 -5.814 228 HA THR 29 HA THR 29 9.805 -4.188 -4.298 229 HB THR 29 HB THR 29 8.793 -4.576 -6.599 230 HG1 THR 29 HG1 THR 29 10.364 -2.359 -7.328 231 1HG2 THR 29 HG22 THR 29 8.251 -2.698 -4.814 232 2HG2 THR 29 HG21 THR 29 8.885 -1.632 -6.068 233 3HG2 THR 29 HG23 THR 29 7.497 -2.667 -6.408 234 H GLU 30 HN GLU 30 12.875 -4.640 -5.163 235 HA GLU 30 HA GLU 30 12.606 -7.152 -6.648 236 1HB GLU 30 HB2 GLU 30 15.059 -7.287 -6.392 237 2HB GLU 30 HB1 GLU 30 14.570 -5.705 -7.001 238 1HG GLU 30 HG2 GLU 30 15.691 -4.782 -5.280 239 2HG GLU 30 HG1 GLU 30 14.480 -5.475 -4.201 240 H LEU 31 HN LEU 31 12.402 -6.275 -3.332 241 HA LEU 31 HA LEU 31 13.491 -8.765 -2.312 242 1HB LEU 31 HB2 LEU 31 11.681 -6.709 -0.998 243 2HB LEU 31 HB1 LEU 31 12.509 -8.023 -0.162 244 HG LEU 31 HG LEU 31 14.374 -6.536 -1.807 245 1HD1 LEU 31 HD13 LEU 31 12.408 -4.859 -0.926 246 2HD1 LEU 31 HD12 LEU 31 13.515 -4.823 0.447 247 3HD1 LEU 31 HD11 LEU 31 14.086 -4.369 -1.158 248 1HD2 LEU 31 HD22 LEU 31 14.913 -8.040 0.104 249 2HD2 LEU 31 HD21 LEU 31 15.597 -6.428 0.313 250 3HD2 LEU 31 HD23 LEU 31 14.143 -6.891 1.197 251 H THR 32 HN THR 32 10.377 -8.235 -0.948 252 HA THR 32 HA THR 32 8.798 -9.651 -2.873 253 HB THR 32 HB THR 32 8.664 -11.681 -1.040 254 HG1 THR 32 HG1 THR 32 10.697 -12.145 -0.369 255 1HG2 THR 32 HG21 THR 32 9.217 -11.416 -3.691 256 2HG2 THR 32 HG23 THR 32 10.775 -11.990 -3.097 257 3HG2 THR 32 HG22 THR 32 9.319 -12.948 -2.824 258 H VAL 33 HN VAL 33 6.870 -10.808 -1.392 259 HA VAL 33 HA VAL 33 6.183 -9.509 1.061 260 HB VAL 33 HB VAL 33 5.822 -7.462 -0.019 261 1HG1 VAL 33 HG13 VAL 33 4.968 -9.181 -2.342 262 2HG1 VAL 33 HG12 VAL 33 4.513 -7.478 -2.274 263 3HG1 VAL 33 HG11 VAL 33 6.216 -7.935 -2.290 264 1HG2 VAL 33 HG22 VAL 33 3.740 -8.514 1.116 265 2HG2 VAL 33 HG21 VAL 33 3.484 -7.120 0.067 266 3HG2 VAL 33 HG23 VAL 33 3.137 -8.744 -0.526 267 H THR 34 HN THR 34 4.220 -10.379 1.891 268 HA THR 34 HA THR 34 3.436 -12.921 0.951 269 HB THR 34 HB THR 34 2.637 -11.113 3.040 270 HG1 THR 34 HG1 THR 34 2.785 -12.957 3.992 271 1HG2 THR 34 HG23 THR 34 0.344 -12.491 1.606 272 2HG2 THR 34 HG22 THR 34 0.240 -11.712 3.183 273 3HG2 THR 34 HG21 THR 34 0.577 -10.747 1.748 274 H ASP 35 HN ASP 35 1.719 -13.631 -0.357 275 HA ASP 35 HA ASP 35 0.691 -11.601 -2.254 276 1HB ASP 35 HB2 ASP 35 1.648 -14.081 -2.727 277 2HB ASP 35 HB1 ASP 35 -0.048 -14.485 -2.496 278 H ILE 36 HN ILE 36 -0.847 -10.610 -0.734 279 HA ILE 36 HA ILE 36 -2.883 -12.191 0.553 280 HB ILE 36 HB ILE 36 -4.012 -10.063 0.984 281 1HG1 ILE 36 HG12 ILE 36 -1.896 -8.738 -0.731 282 2HG1 ILE 36 HG11 ILE 36 -3.501 -9.135 -1.347 283 1HG2 ILE 36 HG21 ILE 36 -1.827 -10.785 2.161 284 2HG2 ILE 36 HG23 ILE 36 -1.053 -9.526 1.198 285 3HG2 ILE 36 HG22 ILE 36 -2.333 -9.104 2.336 286 1HD1 ILE 36 HD13 ILE 36 -3.474 -7.727 1.253 287 2HD1 ILE 36 HD12 ILE 36 -2.898 -6.778 -0.117 288 3HD1 ILE 36 HD11 ILE 36 -4.514 -7.482 -0.150 289 H PHE 37 HN PHE 37 -2.493 -11.071 -2.708 290 HA PHE 37 HA PHE 37 -5.379 -11.517 -3.278 291 1HB PHE 37 HB2 PHE 37 -3.244 -10.635 -5.232 292 2HB PHE 37 HB1 PHE 37 -4.991 -10.466 -5.392 293 HD1 PHE 37 HD2 PHE 37 -5.997 -9.320 -3.034 294 HD2 PHE 37 HD1 PHE 37 -2.182 -8.607 -4.871 295 HE1 PHE 37 HE2 PHE 37 -5.884 -7.096 -1.944 296 HE2 PHE 37 HE1 PHE 37 -2.069 -6.384 -3.785 297 HZ PHE 37 HZ PHE 37 -3.926 -5.626 -2.320 298 H ALA 38 HN ALA 38 -3.502 -13.717 -2.600 299 HA ALA 38 HA ALA 38 -3.269 -15.120 -5.210 300 1HB ALA 38 HB2 ALA 38 -1.901 -15.287 -2.601 301 2HB ALA 38 HB1 ALA 38 -2.240 -16.846 -3.352 302 3HB ALA 38 HB3 ALA 38 -1.288 -15.639 -4.217 303 H ALA 39 HN ALA 39 -4.790 -15.421 -2.024 304 HA ALA 39 HA ALA 39 -6.788 -17.238 -3.237 305 1HB ALA 39 HB3 ALA 39 -4.936 -17.959 -0.972 306 2HB ALA 39 HB2 ALA 39 -6.536 -18.691 -1.091 307 3HB ALA 39 HB1 ALA 39 -5.367 -18.911 -2.392 308 H SER 40 HN SER 40 -7.799 -14.983 -2.825 309 HA SER 40 HA SER 40 -8.491 -14.478 -0.002 310 1HB SER 40 HB2 SER 40 -9.726 -12.526 -0.932 311 2HB SER 40 HB1 SER 40 -8.042 -12.551 -1.445 312 HG SER 40 HG SER 40 -9.507 -12.162 -3.178 313 H LYS 41 HN LYS 41 -9.826 -16.229 0.582 314 HA LYS 41 HA LYS 41 -11.863 -17.404 -0.965 315 1HB LYS 41 HB2 LYS 41 -10.919 -17.850 1.523 316 2HB LYS 41 HB1 LYS 41 -12.430 -17.037 1.932 317 1HG LYS 41 HG2 LYS 41 -12.328 -19.307 -0.059 318 2HG LYS 41 HG1 LYS 41 -12.539 -19.590 1.669 319 1HD LYS 41 HD2 LYS 41 -14.469 -17.895 1.541 320 2HD LYS 41 HD1 LYS 41 -14.362 -18.082 -0.210 321 1HE LYS 41 HE2 LYS 41 -14.352 -20.692 0.586 322 2HE LYS 41 HE1 LYS 41 -15.375 -19.969 1.828 323 1HZ LYS 41 HZ3 LYS 41 -15.774 -19.458 -1.062 324 2HZ LYS 41 HZ2 LYS 41 -16.530 -20.746 -0.251 325 3HZ LYS 41 HZ1 LYS 41 -16.847 -19.142 0.214 326 H ASP 42 HN ASP 42 -12.513 -15.057 1.670 327 HA ASP 42 HA ASP 42 -14.272 -13.490 -0.057 328 1HB ASP 42 HB2 ASP 42 -15.354 -15.513 1.865 329 2HB ASP 42 HB1 ASP 42 -16.204 -13.976 1.705 330 H THR 43 HN THR 43 -12.344 -12.230 1.012 331 HA THR 43 HA THR 43 -12.839 -11.443 3.803 332 HB THR 43 HB THR 43 -10.958 -9.801 2.255 333 HG1 THR 43 HG1 THR 43 -10.533 -12.592 2.522 334 1HG2 THR 43 HG23 THR 43 -10.675 -11.595 4.682 335 2HG2 THR 43 HG22 THR 43 -9.484 -10.417 4.132 336 3HG2 THR 43 HG21 THR 43 -11.057 -9.874 4.718 337 H THR 44 HN THR 44 -12.659 -8.853 4.068 338 HA THR 44 HA THR 44 -14.835 -7.762 2.346 339 HB THR 44 HB THR 44 -14.144 -6.195 4.714 340 HG1 THR 44 HG1 THR 44 -15.151 -8.816 5.085 341 1HG2 THR 44 HG21 THR 44 -16.257 -6.237 3.188 342 2HG2 THR 44 HG23 THR 44 -16.734 -7.624 4.167 343 3HG2 THR 44 HG22 THR 44 -16.477 -6.055 4.929 344 H GLU 45 HN GLU 45 -14.656 -5.266 2.115 345 HA GLU 45 HA GLU 45 -12.096 -4.724 0.847 346 1HB GLU 45 HB2 GLU 45 -13.068 -2.473 0.392 347 2HB GLU 45 HB1 GLU 45 -14.134 -3.780 -0.118 348 1HG GLU 45 HG2 GLU 45 -14.926 -3.367 2.494 349 2HG GLU 45 HG1 GLU 45 -14.541 -1.734 1.954 350 H LYS 46 HN LYS 46 -13.638 -3.867 3.904 351 HA LYS 46 HA LYS 46 -11.581 -1.928 4.614 352 1HB LYS 46 HB2 LYS 46 -12.625 -2.063 6.889 353 2HB LYS 46 HB1 LYS 46 -13.778 -1.684 5.612 354 1HG LYS 46 HG2 LYS 46 -15.002 -3.461 6.244 355 2HG LYS 46 HG1 LYS 46 -13.663 -4.513 5.788 356 1HD LYS 46 HD2 LYS 46 -14.195 -4.940 8.114 357 2HD LYS 46 HD1 LYS 46 -12.649 -4.093 8.050 358 1HE LYS 46 HE2 LYS 46 -13.608 -2.696 9.569 359 2HE LYS 46 HE1 LYS 46 -14.393 -1.991 8.156 360 1HZ LYS 46 HZ3 LYS 46 -15.518 -4.208 9.779 361 2HZ LYS 46 HZ2 LYS 46 -15.962 -2.576 9.935 362 3HZ LYS 46 HZ1 LYS 46 -16.281 -3.412 8.491 363 H GLU 47 HN GLU 47 -12.082 -5.378 5.020 364 HA GLU 47 HA GLU 47 -9.968 -5.710 6.993 365 1HB GLU 47 HB2 GLU 47 -11.994 -7.305 6.267 366 2HB GLU 47 HB1 GLU 47 -10.765 -7.947 5.177 367 1HG GLU 47 HG2 GLU 47 -9.307 -8.496 6.989 368 2HG GLU 47 HG1 GLU 47 -10.272 -7.565 8.136 369 H THR 48 HN THR 48 -10.228 -5.707 3.488 370 HA THR 48 HA THR 48 -7.568 -6.770 3.020 371 HB THR 48 HB THR 48 -9.322 -5.107 1.187 372 HG1 THR 48 HG1 THR 48 -10.126 -7.040 0.505 373 1HG2 THR 48 HG21 THR 48 -6.929 -6.900 0.716 374 2HG2 THR 48 HG23 THR 48 -7.994 -6.343 -0.575 375 3HG2 THR 48 HG22 THR 48 -7.062 -5.177 0.364 376 H PHE 49 HN PHE 49 -8.942 -3.564 3.516 377 HA PHE 49 HA PHE 49 -6.628 -2.094 2.615 378 1HB PHE 49 HB2 PHE 49 -8.893 -1.382 4.495 379 2HB PHE 49 HB1 PHE 49 -7.622 -0.243 4.062 380 HD1 PHE 49 HD2 PHE 49 -7.188 -0.939 1.178 381 HD2 PHE 49 HD1 PHE 49 -10.811 -0.516 3.450 382 HE1 PHE 49 HE2 PHE 49 -8.428 -0.401 -0.895 383 HE2 PHE 49 HE1 PHE 49 -12.048 0.026 1.374 384 HZ PHE 49 HZ PHE 49 -10.858 0.081 -0.799 385 H CYS 50 HN CYS 50 -7.697 -3.214 5.831 386 HA CYS 50 HA CYS 50 -5.466 -2.085 7.245 387 1HB CYS 50 HB2 CYS 50 -7.350 -2.711 8.555 388 2HB CYS 50 HB1 CYS 50 -7.378 -4.339 7.877 389 NH1 ARG 51 NH2 ARG 51 -6.058 -12.175 5.478 390 NH2 ARG 51 NH1 ARG 51 -5.919 -12.265 3.226 391 H ARG 51 HN ARG 51 -5.982 -5.287 5.764 392 HA ARG 51 HA ARG 51 -3.617 -6.529 6.734 393 1HB ARG 51 HB2 ARG 51 -5.629 -7.428 5.236 394 2HB ARG 51 HB1 ARG 51 -4.512 -7.054 3.923 395 1HG ARG 51 HG2 ARG 51 -3.219 -8.840 4.400 396 2HG ARG 51 HG1 ARG 51 -3.170 -8.428 6.114 397 1HD ARG 51 HD2 ARG 51 -4.368 -10.379 6.294 398 2HD ARG 51 HD1 ARG 51 -5.716 -9.294 5.957 399 HE ARG 51 HE ARG 51 -4.823 -10.083 3.446 400 1HH1 ARG 51 HH21 ARG 51 -5.890 -11.708 6.345 401 2HH1 ARG 51 HH22 ARG 51 -6.513 -13.065 5.476 402 1HH2 ARG 51 HH11 ARG 51 -5.641 -11.860 2.355 403 2HH2 ARG 51 HH12 ARG 51 -6.376 -13.155 3.240 404 H ALA 52 HN ALA 52 -4.110 -4.954 3.557 405 HA ALA 52 HA ALA 52 -1.333 -4.931 2.874 406 1HB ALA 52 HB1 ALA 52 -3.800 -3.606 1.873 407 2HB ALA 52 HB3 ALA 52 -2.266 -2.848 1.446 408 3HB ALA 52 HB2 ALA 52 -2.578 -4.524 0.992 409 H ALA 53 HN ALA 53 -3.140 -2.990 5.102 410 HA ALA 53 HA ALA 53 -1.422 -0.647 4.948 411 1HB ALA 53 HB3 ALA 53 -3.754 -0.568 5.843 412 2HB ALA 53 HB2 ALA 53 -3.229 -1.548 7.213 413 3HB ALA 53 HB1 ALA 53 -2.568 0.071 6.982 414 H THR 54 HN THR 54 -1.467 -3.652 6.781 415 HA THR 54 HA THR 54 0.601 -2.847 8.654 416 HB THR 54 HB THR 54 -0.699 -5.448 7.888 417 HG1 THR 54 HG1 THR 54 -1.640 -5.091 9.720 418 1HG2 THR 54 HG21 THR 54 1.908 -5.063 9.353 419 2HG2 THR 54 HG23 THR 54 0.871 -6.450 9.686 420 3HG2 THR 54 HG22 THR 54 1.527 -6.209 8.068 421 H VAL 55 HN VAL 55 0.518 -4.766 5.653 422 HA VAL 55 HA VAL 55 3.291 -5.399 5.553 423 HB VAL 55 HB VAL 55 1.531 -4.787 3.158 424 1HG1 VAL 55 HG11 VAL 55 4.160 -5.387 3.195 425 2HG1 VAL 55 HG13 VAL 55 3.499 -7.021 3.258 426 3HG1 VAL 55 HG12 VAL 55 3.079 -5.951 1.920 427 1HG2 VAL 55 HG22 VAL 55 1.352 -6.893 5.205 428 2HG2 VAL 55 HG21 VAL 55 0.165 -6.398 3.998 429 3HG2 VAL 55 HG23 VAL 55 1.453 -7.520 3.560 430 H LEU 56 HN LEU 56 1.488 -2.567 4.411 431 HA LEU 56 HA LEU 56 3.738 -1.235 3.216 432 1HB LEU 56 HB2 LEU 56 0.947 -0.623 3.816 433 2HB LEU 56 HB1 LEU 56 1.999 0.765 4.097 434 HG LEU 56 HG LEU 56 3.020 0.271 1.802 435 1HD1 LEU 56 HD12 LEU 56 1.797 -2.069 1.886 436 2HD1 LEU 56 HD11 LEU 56 0.444 -1.155 1.220 437 3HD1 LEU 56 HD13 LEU 56 1.977 -1.222 0.350 438 1HD2 LEU 56 HD21 LEU 56 0.831 1.789 2.585 439 2HD2 LEU 56 HD23 LEU 56 1.652 1.905 1.028 440 3HD2 LEU 56 HD22 LEU 56 0.219 0.891 1.196 441 NH1 ARG 57 NH2 ARG 57 2.012 -2.270 13.399 442 NH2 ARG 57 NH1 ARG 57 1.051 -0.307 13.970 443 H ARG 57 HN ARG 57 2.494 -1.455 6.496 444 HA ARG 57 HA ARG 57 3.852 0.762 7.644 445 1HB ARG 57 HB2 ARG 57 2.141 -0.622 8.826 446 2HB ARG 57 HB1 ARG 57 3.321 -1.929 8.938 447 1HG ARG 57 HG2 ARG 57 4.860 -0.132 10.036 448 2HG ARG 57 HG1 ARG 57 3.362 0.765 10.285 449 1HD ARG 57 HD2 ARG 57 3.018 -2.010 11.039 450 2HD ARG 57 HD1 ARG 57 4.379 -1.297 11.905 451 HE ARG 57 HE ARG 57 2.390 0.609 12.133 452 1HH1 ARG 57 HH21 ARG 57 2.630 -2.804 12.826 453 2HH1 ARG 57 HH22 ARG 57 1.499 -2.722 14.128 454 1HH2 ARG 57 HH11 ARG 57 0.932 0.676 13.830 455 2HH2 ARG 57 HH12 ARG 57 0.546 -0.774 14.696 456 H GLN 58 HN GLN 58 4.885 -2.673 7.597 457 HA GLN 58 HA GLN 58 7.513 -2.177 8.569 458 1HB GLN 58 HB2 GLN 58 6.043 -4.409 7.546 459 2HB GLN 58 HB1 GLN 58 7.600 -4.350 6.717 460 1HG GLN 58 HG2 GLN 58 7.358 -4.087 9.719 461 2HG GLN 58 HG1 GLN 58 7.556 -5.648 8.921 462 1HE2 GLN 58 HE22 GLN 58 10.976 -5.102 8.106 463 2HE2 GLN 58 HE21 GLN 58 9.609 -6.066 7.815 464 H PHE 59 HN PHE 59 6.098 -1.736 5.400 465 HA PHE 59 HA PHE 59 8.584 -1.685 3.942 466 1HB PHE 59 HB2 PHE 59 6.411 -2.065 2.844 467 2HB PHE 59 HB1 PHE 59 5.906 -0.433 3.274 468 HD1 PHE 59 HD1 PHE 59 9.298 -1.500 2.143 469 HD2 PHE 59 HD2 PHE 59 5.671 0.568 1.132 470 HE1 PHE 59 HE1 PHE 59 10.367 -0.632 0.087 471 HE2 PHE 59 HE2 PHE 59 6.744 1.438 -0.926 472 HZ PHE 59 HZ PHE 59 9.092 0.837 -1.449 473 OH TYR 60 OH TYR 60 6.099 4.527 11.284 474 H TYR 60 HN TYR 60 6.748 0.803 5.684 475 HA TYR 60 HA TYR 60 8.590 2.880 4.672 476 1HB TYR 60 HB2 TYR 60 6.976 4.381 5.213 477 2HB TYR 60 HB1 TYR 60 5.932 2.969 5.356 478 HD1 TYR 60 HD1 TYR 60 7.900 5.480 7.207 479 HD2 TYR 60 HD2 TYR 60 5.323 2.064 7.531 480 HE1 TYR 60 HE1 TYR 60 7.582 5.949 9.622 481 HE2 TYR 60 HE2 TYR 60 5.008 2.527 9.946 482 HH TYR 60 HH TYR 60 5.516 3.853 11.642 483 H SER 61 HN SER 61 8.521 0.708 7.293 484 HA SER 61 HA SER 61 9.912 2.553 9.122 485 1HB SER 61 HB2 SER 61 8.521 0.016 9.333 486 2HB SER 61 HB1 SER 61 10.077 -0.040 10.156 487 HG SER 61 HG SER 61 7.865 1.647 10.585 488 H HIS 62 HN HIS 62 10.728 -0.637 7.668 489 HA HIS 62 HA HIS 62 13.560 -0.135 8.327 490 1HB HIS 62 HB2 HIS 62 11.903 -2.470 7.757 491 2HB HIS 62 HB1 HIS 62 13.470 -2.530 6.951 492 HD1 HIS 62 HD1 HIS 62 12.033 -1.924 10.428 493 HD2 HIS 62 HD2 HIS 62 15.572 -3.204 8.633 494 HE1 HIS 62 HE1 HIS 62 13.562 -2.664 12.306 495 H HIS 63 HN HIS 63 11.676 -0.733 5.324 496 HA HIS 63 HA HIS 63 13.953 -0.675 3.610 497 1HB HIS 63 HB2 HIS 63 11.067 -0.004 3.030 498 2HB HIS 63 HB1 HIS 63 12.307 -0.141 1.791 499 HD1 HIS 63 HD1 HIS 63 11.914 -2.342 0.677 500 HD2 HIS 63 HD2 HIS 63 11.611 -2.645 4.824 501 HE1 HIS 63 HE1 HIS 63 11.584 -4.799 1.194 502 H GLU 64 HN GLU 64 12.354 1.949 5.225 503 HA GLU 64 HA GLU 64 13.218 3.975 3.310 504 1HB GLU 64 HB2 GLU 64 12.549 5.594 5.063 505 2HB GLU 64 HB1 GLU 64 11.284 4.403 4.763 506 1HG GLU 64 HG2 GLU 64 11.739 3.238 6.757 507 2HG GLU 64 HG1 GLU 64 13.328 3.972 6.932 508 H LYS 65 HN LYS 65 14.592 2.409 6.127 509 HA LYS 65 HA LYS 65 16.960 4.224 5.924 510 1HB LYS 65 HB2 LYS 65 15.502 3.098 8.189 511 2HB LYS 65 HB1 LYS 65 17.230 2.755 8.275 512 1HG LYS 65 HG2 LYS 65 17.750 4.920 8.684 513 2HG LYS 65 HG1 LYS 65 16.648 5.505 7.437 514 1HD LYS 65 HD2 LYS 65 15.058 5.984 8.961 515 2HD LYS 65 HD1 LYS 65 15.184 4.380 9.683 516 1HE LYS 65 HE2 LYS 65 16.533 5.112 11.355 517 2HE LYS 65 HE1 LYS 65 17.480 6.125 10.265 518 1HZ LYS 65 HZ3 LYS 65 14.767 6.796 11.268 519 2HZ LYS 65 HZ2 LYS 65 16.215 7.413 11.908 520 3HZ LYS 65 HZ1 LYS 65 15.762 7.784 10.313 521 H ASP 66 HN ASP 66 16.099 1.424 4.607 522 HA ASP 66 HA ASP 66 18.430 -0.186 5.438 523 1HB ASP 66 HB2 ASP 66 15.961 -0.646 3.840 524 2HB ASP 66 HB1 ASP 66 17.380 -1.592 3.390 525 H THR 67 HN THR 67 20.085 -0.815 3.920 526 HA THR 67 HA THR 67 20.700 1.303 1.979 527 HB THR 67 HB THR 67 22.873 0.333 1.858 528 HG1 THR 67 HG1 THR 67 22.778 -1.756 1.624 529 1HG2 THR 67 HG22 THR 67 22.283 1.372 4.051 530 2HG2 THR 67 HG21 THR 67 21.849 -0.227 4.654 531 3HG2 THR 67 HG23 THR 67 23.516 0.120 4.196 532 NH1 ARG 68 NH2 ARG 68 21.722 -5.317 -0.171 533 NH2 ARG 68 NH1 ARG 68 22.747 -6.774 1.215 534 H ARG 68 HN ARG 68 19.518 -1.995 1.949 535 HA ARG 68 HA ARG 68 20.143 -2.764 -0.691 536 1HB ARG 68 HB2 ARG 68 17.557 -3.316 0.797 537 2HB ARG 68 HB1 ARG 68 18.197 -4.244 -0.559 538 1HG ARG 68 HG2 ARG 68 20.317 -4.165 1.244 539 2HG ARG 68 HG1 ARG 68 18.903 -4.374 2.271 540 1HD ARG 68 HD2 ARG 68 18.422 -6.443 1.428 541 2HD ARG 68 HD1 ARG 68 18.978 -6.040 -0.193 542 HE ARG 68 HE ARG 68 20.473 -7.416 1.832 543 1HH1 ARG 68 HH21 ARG 68 20.892 -4.928 -0.565 544 2HH1 ARG 68 HH22 ARG 68 22.617 -5.008 -0.495 545 1HH2 ARG 68 HH11 ARG 68 22.700 -7.506 1.894 546 2HH2 ARG 68 HH12 ARG 68 23.635 -6.456 0.883 547 H CYS 69 HN CYS 69 17.544 -0.655 0.494 548 HA CYS 69 HA CYS 69 16.493 -0.331 -2.247 549 1HB CYS 69 HB2 CYS 69 15.013 -0.454 -0.177 550 2HB CYS 69 HB1 CYS 69 15.618 1.149 0.244 551 H LEU 70 HN LEU 70 18.646 1.311 -0.048 552 HA LEU 70 HA LEU 70 18.469 3.975 -0.948 553 1HB LEU 70 HB2 LEU 70 20.595 2.283 0.253 554 2HB LEU 70 HB1 LEU 70 21.142 3.738 -0.578 555 HG LEU 70 HG LEU 70 18.954 3.727 1.517 556 1HD1 LEU 70 HD12 LEU 70 21.864 3.633 1.767 557 2HD1 LEU 70 HD11 LEU 70 21.175 5.064 2.534 558 3HD1 LEU 70 HD13 LEU 70 20.628 3.458 3.013 559 1HD2 LEU 70 HD21 LEU 70 20.003 5.676 -0.357 560 2HD2 LEU 70 HD23 LEU 70 18.628 5.819 0.738 561 3HD2 LEU 70 HD22 LEU 70 20.250 6.220 1.302 562 H GLY 71 HN GLY 71 21.153 1.883 -2.002 563 1HA GLY 71 HA2 GLY 71 21.417 1.335 -4.426 564 2HA GLY 71 HA1 GLY 71 20.738 2.925 -4.776 565 H ALA 72 HN ALA 72 22.341 4.215 -5.543 566 HA ALA 72 HA ALA 72 24.650 4.811 -3.892 567 1HB ALA 72 HB1 ALA 72 25.188 2.595 -5.157 568 2HB ALA 72 HB3 ALA 72 25.343 3.631 -6.576 569 3HB ALA 72 HB2 ALA 72 26.387 3.887 -5.177 570 H THR 73 HN THR 73 23.020 6.691 -4.517 571 HA THR 73 HA THR 73 24.431 8.311 -6.517 572 HB THR 73 HB THR 73 21.472 8.178 -6.914 573 HG1 THR 73 HG1 THR 73 22.051 6.020 -6.985 574 1HG2 THR 73 HG22 THR 73 23.894 9.093 -8.317 575 2HG2 THR 73 HG21 THR 73 22.723 8.275 -9.353 576 3HG2 THR 73 HG23 THR 73 22.238 9.691 -8.420 577 H ALA 74 HN ALA 74 23.879 10.575 -6.317 578 HA ALA 74 HA ALA 74 23.027 11.289 -3.618 579 1HB ALA 74 HB2 ALA 74 24.302 12.625 -5.910 580 2HB ALA 74 HB1 ALA 74 23.191 13.659 -5.013 581 3HB ALA 74 HB3 ALA 74 24.540 12.886 -4.182 582 H GLN 75 HN GLN 75 21.592 11.261 -6.824 583 HA GLN 75 HA GLN 75 19.309 12.912 -6.027 584 1HB GLN 75 HB2 GLN 75 19.759 11.174 -8.473 585 2HB GLN 75 HB1 GLN 75 18.409 12.289 -8.256 586 1HG GLN 75 HG2 GLN 75 20.653 13.837 -7.673 587 2HG GLN 75 HG1 GLN 75 21.161 12.852 -9.046 588 1HE2 GLN 75 HE22 GLN 75 19.311 14.786 -11.321 589 2HE2 GLN 75 HE21 GLN 75 20.604 13.721 -11.045 590 H GLN 76 HN GLN 76 20.073 9.480 -6.212 591 HA GLN 76 HA GLN 76 17.402 8.474 -6.039 592 1HB GLN 76 HB2 GLN 76 19.770 7.278 -6.378 593 2HB GLN 76 HB1 GLN 76 19.608 7.029 -4.639 594 1HG GLN 76 HG2 GLN 76 17.766 5.657 -4.863 595 2HG GLN 76 HG1 GLN 76 17.232 6.441 -6.350 596 1HE2 GLN 76 HE22 GLN 76 18.576 3.151 -7.387 597 2HE2 GLN 76 HE21 GLN 76 17.242 3.721 -6.506 598 H PHE 77 HN PHE 77 19.511 9.906 -3.645 599 HA PHE 77 HA PHE 77 18.120 8.841 -1.336 600 1HB PHE 77 HB2 PHE 77 20.440 9.703 -1.215 601 2HB PHE 77 HB1 PHE 77 19.848 11.322 -1.586 602 HD1 PHE 77 HD1 PHE 77 19.315 8.505 0.832 603 HD2 PHE 77 HD2 PHE 77 19.210 12.747 0.159 604 HE1 PHE 77 HE1 PHE 77 18.811 8.874 3.231 605 HE2 PHE 77 HE2 PHE 77 18.706 13.114 2.560 606 HZ PHE 77 HZ PHE 77 18.506 11.178 4.096 607 H HIS 78 HN HIS 78 18.108 12.088 -2.861 608 HA HIS 78 HA HIS 78 16.051 13.189 -1.257 609 1HB HIS 78 HB2 HIS 78 17.602 14.175 -3.233 610 2HB HIS 78 HB1 HIS 78 16.097 13.960 -4.128 611 HD1 HIS 78 HD1 HIS 78 14.736 16.038 -4.078 612 HD2 HIS 78 HD2 HIS 78 16.810 15.494 -0.503 613 HE1 HIS 78 HE1 HIS 78 14.101 17.979 -2.578 614 NH1 ARG 79 NH2 ARG 79 12.758 6.912 -8.869 615 NH2 ARG 79 NH1 ARG 79 14.830 7.344 -9.662 616 H ARG 79 HN ARG 79 15.864 11.149 -4.133 617 HA ARG 79 HA ARG 79 12.986 11.462 -4.434 618 1HB ARG 79 HB2 ARG 79 15.070 10.385 -5.972 619 2HB ARG 79 HB1 ARG 79 14.047 9.006 -5.566 620 1HG ARG 79 HG2 ARG 79 12.185 10.937 -6.189 621 2HG ARG 79 HG1 ARG 79 13.487 11.298 -7.324 622 1HD ARG 79 HD2 ARG 79 12.300 8.538 -6.919 623 2HD ARG 79 HD1 ARG 79 11.831 9.638 -8.215 624 HE ARG 79 HE ARG 79 14.584 9.466 -8.456 625 1HH1 ARG 79 HH21 ARG 79 11.953 7.178 -8.341 626 2HH1 ARG 79 HH22 ARG 79 12.777 6.025 -9.330 627 1HH2 ARG 79 HH11 ARG 79 15.622 7.950 -9.741 628 2HH2 ARG 79 HH12 ARG 79 14.834 6.454 -10.118 629 H HIS 80 HN HIS 80 15.106 9.303 -2.663 630 HA HIS 80 HA HIS 80 13.229 7.202 -2.163 631 1HB HIS 80 HB2 HIS 80 15.820 7.406 -1.674 632 2HB HIS 80 HB1 HIS 80 15.264 7.998 -0.109 633 HD1 HIS 80 HD1 HIS 80 12.777 6.193 0.252 634 HD2 HIS 80 HD2 HIS 80 16.496 4.788 -0.995 635 HE1 HIS 80 HE1 HIS 80 12.835 3.727 0.822 636 H LYS 81 HN LYS 81 14.158 9.984 -0.100 637 HA LYS 81 HA LYS 81 12.328 9.534 1.988 638 1HB LYS 81 HB2 LYS 81 13.995 11.697 1.079 639 2HB LYS 81 HB1 LYS 81 12.430 12.334 1.586 640 1HG LYS 81 HG2 LYS 81 12.709 11.666 3.774 641 2HG LYS 81 HG1 LYS 81 13.706 10.279 3.334 642 1HD LYS 81 HD2 LYS 81 15.638 11.612 3.040 643 2HD LYS 81 HD1 LYS 81 14.698 13.103 2.953 644 1HE LYS 81 HE2 LYS 81 13.956 12.504 5.377 645 2HE LYS 81 HE1 LYS 81 15.355 11.430 5.370 646 1HZ LYS 81 HZ2 LYS 81 16.196 13.848 4.310 647 2HZ LYS 81 HZ1 LYS 81 15.281 14.233 5.689 648 3HZ LYS 81 HZ3 LYS 81 16.607 13.183 5.818 649 H GLN 82 HN GLN 82 11.712 10.717 -1.245 650 HA GLN 82 HA GLN 82 9.164 11.948 -0.676 651 1HB GLN 82 HB2 GLN 82 10.247 10.774 -3.255 652 2HB GLN 82 HB1 GLN 82 8.803 11.779 -3.129 653 1HG GLN 82 HG2 GLN 82 10.558 13.363 -1.825 654 2HG GLN 82 HG1 GLN 82 11.665 12.547 -2.929 655 1HE2 GLN 82 HE22 GLN 82 9.578 13.750 -5.804 656 2HE2 GLN 82 HE21 GLN 82 9.984 12.219 -5.193 657 H LEU 83 HN LEU 83 10.094 8.698 -1.813 658 HA LEU 83 HA LEU 83 7.354 7.769 -1.971 659 1HB LEU 83 HB2 LEU 83 9.174 6.715 -3.267 660 2HB LEU 83 HB1 LEU 83 9.930 6.180 -1.765 661 HG LEU 83 HG LEU 83 7.087 5.462 -1.969 662 1HD1 LEU 83 HD11 LEU 83 8.966 4.849 -4.167 663 2HD1 LEU 83 HD13 LEU 83 8.106 3.453 -3.517 664 3HD1 LEU 83 HD12 LEU 83 7.203 4.827 -4.154 665 1HD2 LEU 83 HD22 LEU 83 9.690 4.308 -1.085 666 2HD2 LEU 83 HD21 LEU 83 8.133 4.332 -0.257 667 3HD2 LEU 83 HD23 LEU 83 8.428 3.166 -1.546 668 H ILE 84 HN ILE 84 9.678 8.035 0.625 669 HA ILE 84 HA ILE 84 8.394 6.051 2.328 670 HB ILE 84 HB ILE 84 10.264 8.334 3.031 671 1HG1 ILE 84 HG12 ILE 84 11.451 6.825 1.598 672 2HG1 ILE 84 HG11 ILE 84 11.921 6.390 3.240 673 1HG2 ILE 84 HG21 ILE 84 8.952 6.173 4.608 674 2HG2 ILE 84 HG23 ILE 84 10.639 6.527 4.980 675 3HG2 ILE 84 HG22 ILE 84 9.424 7.799 5.102 676 1HD1 ILE 84 HD12 ILE 84 9.809 4.767 3.007 677 2HD1 ILE 84 HD11 ILE 84 10.217 4.898 1.296 678 3HD1 ILE 84 HD13 ILE 84 11.410 4.290 2.443 679 NH1 ARG 85 NH2 ARG 85 10.217 15.008 2.409 680 NH2 ARG 85 NH1 ARG 85 8.529 15.738 1.097 681 H ARG 85 HN ARG 85 8.043 9.511 1.781 682 HA ARG 85 HA ARG 85 6.316 9.894 4.108 683 1HB ARG 85 HB2 ARG 85 7.276 11.575 1.832 684 2HB ARG 85 HB1 ARG 85 5.788 12.072 2.639 685 1HG ARG 85 HG2 ARG 85 6.895 12.750 4.490 686 2HG ARG 85 HG1 ARG 85 7.884 11.290 4.527 687 1HD ARG 85 HD2 ARG 85 9.216 13.386 4.157 688 2HD ARG 85 HD1 ARG 85 9.395 12.204 2.860 689 HE ARG 85 HE ARG 85 7.309 13.818 2.009 690 1HH1 ARG 85 HH21 ARG 85 10.589 14.360 3.071 691 2HH1 ARG 85 HH22 ARG 85 10.784 15.766 2.085 692 1HH2 ARG 85 HH11 ARG 85 7.595 15.646 0.750 693 2HH2 ARG 85 HH12 ARG 85 9.107 16.492 0.783 694 H PHE 86 HN PHE 86 5.868 9.301 0.654 695 HA PHE 86 HA PHE 86 3.001 9.725 0.679 696 1HB PHE 86 HB2 PHE 86 5.009 9.148 -1.250 697 2HB PHE 86 HB1 PHE 86 3.827 7.845 -1.349 698 HD1 PHE 86 HD1 PHE 86 3.341 11.454 -0.468 699 HD2 PHE 86 HD2 PHE 86 2.555 8.295 -3.268 700 HE1 PHE 86 HE1 PHE 86 1.806 12.943 -1.720 701 HE2 PHE 86 HE2 PHE 86 1.023 9.789 -4.521 702 HZ PHE 86 HZ PHE 86 0.646 12.112 -3.745 703 H LEU 87 HN LEU 87 5.119 6.964 1.178 704 HA LEU 87 HA LEU 87 3.014 4.988 1.177 705 1HB LEU 87 HB2 LEU 87 4.951 3.858 0.858 706 2HB LEU 87 HB1 LEU 87 5.913 5.102 1.642 707 HG LEU 87 HG LEU 87 5.209 4.204 3.863 708 1HD1 LEU 87 HD12 LEU 87 3.269 2.864 2.276 709 2HD1 LEU 87 HD11 LEU 87 4.327 1.619 2.937 710 3HD1 LEU 87 HD13 LEU 87 3.498 2.737 4.020 711 1HD2 LEU 87 HD22 LEU 87 6.674 2.620 1.804 712 2HD2 LEU 87 HD21 LEU 87 7.269 3.346 3.292 713 3HD2 LEU 87 HD23 LEU 87 6.347 1.845 3.354 714 H LYS 88 HN LYS 88 4.818 6.593 3.840 715 HA LYS 88 HA LYS 88 3.369 5.316 5.932 716 1HB LYS 88 HB2 LYS 88 4.184 7.111 7.384 717 2HB LYS 88 HB1 LYS 88 5.472 6.583 6.305 718 1HG LYS 88 HG2 LYS 88 5.694 8.687 5.568 719 2HG LYS 88 HG1 LYS 88 4.041 8.639 4.965 720 1HD LYS 88 HD2 LYS 88 4.219 10.497 6.511 721 2HD LYS 88 HD1 LYS 88 3.246 9.238 7.272 722 1HE LYS 88 HE2 LYS 88 5.772 8.509 8.046 723 2HE LYS 88 HE1 LYS 88 5.906 10.268 8.024 724 1HZ LYS 88 HZ2 LYS 88 3.544 9.048 9.264 725 2HZ LYS 88 HZ1 LYS 88 5.012 9.026 10.121 726 3HZ LYS 88 HZ3 LYS 88 4.334 10.505 9.641 727 NH1 ARG 89 NH2 ARG 89 -1.884 13.105 0.425 728 NH2 ARG 89 NH1 ARG 89 -3.163 11.681 -0.775 729 H ARG 89 HN ARG 89 2.537 8.017 3.853 730 HA ARG 89 HA ARG 89 0.387 9.054 5.468 731 1HB ARG 89 HB2 ARG 89 0.956 10.538 3.776 732 2HB ARG 89 HB1 ARG 89 1.205 9.253 2.595 733 1HG ARG 89 HG2 ARG 89 -1.140 8.947 2.284 734 2HG ARG 89 HG1 ARG 89 -1.527 9.923 3.703 735 1HD ARG 89 HD2 ARG 89 -1.190 11.906 2.600 736 2HD ARG 89 HD1 ARG 89 0.090 11.244 1.584 737 HE ARG 89 HE ARG 89 -2.197 9.964 0.689 738 1HH1 ARG 89 HH21 ARG 89 -1.227 13.284 1.154 739 2HH1 ARG 89 HH22 ARG 89 -2.229 13.864 -0.128 740 1HH2 ARG 89 HH11 ARG 89 -3.489 10.755 -0.966 741 2HH2 ARG 89 HH12 ARG 89 -3.495 12.450 -1.321 742 H LEU 90 HN LEU 90 0.443 6.783 2.722 743 HA LEU 90 HA LEU 90 -2.354 6.162 2.805 744 1HB LEU 90 HB2 LEU 90 -0.810 5.664 0.890 745 2HB LEU 90 HB1 LEU 90 -0.089 4.381 1.862 746 HG LEU 90 HG LEU 90 -2.422 3.402 2.098 747 1HD1 LEU 90 HD12 LEU 90 -3.087 5.852 0.820 748 2HD1 LEU 90 HD11 LEU 90 -3.454 4.559 -0.321 749 3HD1 LEU 90 HD13 LEU 90 -4.179 4.549 1.287 750 1HD2 LEU 90 HD22 LEU 90 -0.506 3.086 0.142 751 2HD2 LEU 90 HD21 LEU 90 -1.926 2.058 0.334 752 3HD2 LEU 90 HD23 LEU 90 -1.958 3.401 -0.809 753 H ASP 91 HN ASP 91 0.287 5.175 4.836 754 HA ASP 91 HA ASP 91 -0.619 2.634 5.694 755 1HB ASP 91 HB2 ASP 91 1.576 3.773 6.283 756 2HB ASP 91 HB1 ASP 91 0.676 4.696 7.487 757 NH1 ARG 92 NH2 ARG 92 -3.072 6.122 14.128 758 NH2 ARG 92 NH1 ARG 92 -0.893 5.873 14.671 759 H ARG 92 HN ARG 92 -1.428 5.869 7.008 760 HA ARG 92 HA ARG 92 -3.382 4.634 8.844 761 1HB ARG 92 HB2 ARG 92 -2.489 7.488 8.386 762 2HB ARG 92 HB1 ARG 92 -3.770 7.052 9.517 763 1HG ARG 92 HG2 ARG 92 -1.274 5.478 9.765 764 2HG ARG 92 HG1 ARG 92 -1.139 7.182 10.203 765 1HD ARG 92 HD2 ARG 92 -3.187 6.877 11.655 766 2HD ARG 92 HD1 ARG 92 -3.068 5.145 11.346 767 HE ARG 92 HE ARG 92 -0.539 5.843 12.247 768 1HH1 ARG 92 HH21 ARG 92 -3.797 6.207 13.447 769 2HH1 ARG 92 HH22 ARG 92 -3.302 6.145 15.101 770 1HH2 ARG 92 HH11 ARG 92 0.063 5.765 14.400 771 2HH2 ARG 92 HH12 ARG 92 -1.139 5.897 15.640 772 H ASN 93 HN ASN 93 -3.368 6.274 5.755 773 HA ASN 93 HA ASN 93 -6.220 6.929 5.849 774 1HB ASN 93 HB2 ASN 93 -3.989 7.583 4.200 775 2HB ASN 93 HB1 ASN 93 -5.231 6.872 3.173 776 1HD2 ASN 93 HD22 ASN 93 -7.641 9.447 4.504 777 2HD2 ASN 93 HD21 ASN 93 -7.558 7.756 4.626 778 H LEU 94 HN LEU 94 -4.470 4.051 5.227 779 HA LEU 94 HA LEU 94 -6.525 2.978 3.397 780 1HB LEU 94 HB2 LEU 94 -3.926 2.505 3.383 781 2HB LEU 94 HB1 LEU 94 -4.350 1.300 4.598 782 HG LEU 94 HG LEU 94 -6.106 0.440 2.991 783 1HD1 LEU 94 HD11 LEU 94 -5.395 2.798 1.608 784 2HD1 LEU 94 HD13 LEU 94 -4.809 1.459 0.621 785 3HD1 LEU 94 HD12 LEU 94 -6.512 1.542 1.073 786 1HD2 LEU 94 HD22 LEU 94 -3.680 -0.431 3.297 787 2HD2 LEU 94 HD21 LEU 94 -4.561 -0.942 1.857 788 3HD2 LEU 94 HD23 LEU 94 -3.360 0.344 1.746 789 CH2 TRP 95 CH2 TRP 95 -6.393 0.818 13.757 790 H TRP 95 HN TRP 95 -5.124 1.997 6.550 791 HA TRP 95 HA TRP 95 -7.492 0.326 7.077 792 1HB TRP 95 HB2 TRP 95 -6.213 -0.724 8.634 793 2HB TRP 95 HB1 TRP 95 -4.879 0.071 7.797 794 HD1 TRP 95 HD1 TRP 95 -4.197 2.537 8.784 795 HE1 TRP 95 HE1 TRP 95 -4.082 3.324 11.239 796 HE3 TRP 95 HE3 TRP 95 -7.178 -0.979 10.967 797 HZ2 TRP 95 HZ2 TRP 95 -5.125 2.556 13.790 798 HZ3 TRP 95 HZ3 TRP 95 -7.604 -0.925 13.408 799 HH2 TRP 95 HH2 TRP 95 -6.583 0.836 14.820 800 H GLY 96 HN GLY 96 -6.269 3.476 7.941 801 1HA GLY 96 HA2 GLY 96 -7.608 4.022 10.343 802 2HA GLY 96 HA1 GLY 96 -7.357 5.232 9.081 803 H LEU 97 HN LEU 97 -8.891 3.664 7.101 804 HA LEU 97 HA LEU 97 -11.591 4.537 7.920 805 1HB LEU 97 HB2 LEU 97 -10.160 4.080 5.403 806 2HB LEU 97 HB1 LEU 97 -11.783 3.390 5.396 807 HG LEU 97 HG LEU 97 -12.431 5.723 6.461 808 1HD1 LEU 97 HD12 LEU 97 -9.786 6.176 6.278 809 2HD1 LEU 97 HD11 LEU 97 -10.269 6.734 4.676 810 3HD1 LEU 97 HD13 LEU 97 -10.974 7.470 6.116 811 1HD2 LEU 97 HD21 LEU 97 -12.410 4.600 3.844 812 2HD2 LEU 97 HD23 LEU 97 -13.487 5.847 4.474 813 3HD2 LEU 97 HD22 LEU 97 -11.978 6.302 3.683 814 H ALA 98 HN ALA 98 -9.768 1.613 7.211 815 HA ALA 98 HA ALA 98 -11.873 -0.250 6.995 816 1HB ALA 98 HB2 ALA 98 -9.084 -0.515 8.148 817 2HB ALA 98 HB1 ALA 98 -10.162 -1.890 7.912 818 3HB ALA 98 HB3 ALA 98 -9.618 -0.949 6.524 819 H GLY 99 HN GLY 99 -9.912 0.239 9.925 820 1HA GLY 99 HA2 GLY 99 -10.818 0.674 12.129 821 2HA GLY 99 HA1 GLY 99 -12.391 0.117 11.556 822 H LEU 100 HN LEU 100 -9.118 -1.345 11.530 823 HA LEU 100 HA LEU 100 -10.048 -3.483 13.326 824 1HB LEU 100 HB2 LEU 100 -10.030 -3.802 10.451 825 2HB LEU 100 HB1 LEU 100 -8.865 -4.900 11.192 826 HG LEU 100 HG LEU 100 -10.970 -5.183 12.898 827 1HD1 LEU 100 HD13 LEU 100 -12.111 -3.697 10.917 828 2HD1 LEU 100 HD12 LEU 100 -12.430 -5.329 10.328 829 3HD1 LEU 100 HD11 LEU 100 -13.003 -4.839 11.922 830 1HD2 LEU 100 HD21 LEU 100 -9.544 -6.816 11.340 831 2HD2 LEU 100 HD23 LEU 100 -11.063 -7.340 12.067 832 3HD2 LEU 100 HD22 LEU 100 -11.028 -6.806 10.386 833 H ASN 101 HN ASN 101 -8.361 -3.059 14.742 834 HA ASN 101 HA ASN 101 -5.677 -2.453 13.955 835 1HB ASN 101 HB2 ASN 101 -6.122 -1.882 16.170 836 2HB ASN 101 HB1 ASN 101 -6.985 -3.386 16.492 837 1HD2 ASN 101 HD22 ASN 101 -4.109 -4.895 17.824 838 2HD2 ASN 101 HD21 ASN 101 -5.803 -4.782 17.794 839 H SER 102 HN SER 102 -6.889 -5.496 15.422 840 HA SER 102 HA SER 102 -4.600 -7.054 14.879 841 1HB SER 102 HB2 SER 102 -7.394 -7.560 15.590 842 2HB SER 102 HB1 SER 102 -6.711 -8.836 14.587 843 HG SER 102 HG SER 102 -6.188 -9.324 16.675 844 H CYS 103 HN CYS 103 -3.740 -7.786 12.990 845 HA CYS 103 HA CYS 103 -5.491 -8.385 10.702 846 1HB CYS 103 HB2 CYS 103 -3.873 -5.939 10.880 847 2HB CYS 103 HB1 CYS 103 -3.526 -6.897 9.441 848 HA PRO 104 HA PRO 104 -1.858 -11.167 11.510 849 1HB PRO 104 HB2 PRO 104 -3.631 -13.301 10.720 850 2HB PRO 104 HB1 PRO 104 -2.925 -12.999 12.314 851 1HG PRO 104 HG2 PRO 104 -5.663 -12.604 11.505 852 2HG PRO 104 HG1 PRO 104 -4.946 -12.292 13.091 853 1HD PRO 104 HD2 PRO 104 -5.809 -10.356 11.143 854 2HD PRO 104 HD1 PRO 104 -5.058 -10.048 12.722 855 H VAL 105 HN VAL 105 -0.933 -10.239 9.555 856 HA VAL 105 HA VAL 105 -1.890 -11.402 6.988 857 HB VAL 105 HB VAL 105 -1.494 -8.941 7.107 858 1HG1 VAL 105 HG12 VAL 105 0.799 -9.748 8.532 859 2HG1 VAL 105 HG11 VAL 105 1.397 -9.064 7.020 860 3HG1 VAL 105 HG13 VAL 105 0.359 -8.103 8.074 861 1HG2 VAL 105 HG21 VAL 105 -0.635 -10.756 5.145 862 2HG2 VAL 105 HG23 VAL 105 -0.922 -9.030 4.927 863 3HG2 VAL 105 HG22 VAL 105 0.696 -9.612 5.319 864 H LYS 106 HN LYS 106 -0.790 -13.352 8.502 865 HA LYS 106 HA LYS 106 1.943 -13.678 7.331 866 1HB LYS 106 HB2 LYS 106 1.153 -15.054 9.877 867 2HB LYS 106 HB1 LYS 106 2.758 -14.584 9.314 868 1HG LYS 106 HG2 LYS 106 2.446 -12.901 10.848 869 2HG LYS 106 HG1 LYS 106 1.642 -12.142 9.474 870 1HD LYS 106 HD2 LYS 106 -0.211 -12.018 10.750 871 2HD LYS 106 HD1 LYS 106 -0.322 -13.774 10.620 872 1HE LYS 106 HE2 LYS 106 1.300 -13.881 12.594 873 2HE LYS 106 HE1 LYS 106 1.000 -12.156 12.806 874 1HZ LYS 106 HZ1 LYS 106 -1.242 -14.061 12.600 875 2HZ LYS 106 HZ3 LYS 106 -0.451 -13.819 14.081 876 3HZ LYS 106 HZ2 LYS 106 -1.215 -12.515 13.305 877 H GLU 107 HN GLU 107 -0.207 -14.543 5.863 878 HA GLU 107 HA GLU 107 0.206 -17.468 5.929 879 1HB GLU 107 HB2 GLU 107 -2.252 -17.886 5.682 880 2HB GLU 107 HB1 GLU 107 -1.824 -17.231 7.262 881 1HG GLU 107 HG2 GLU 107 -2.248 -14.964 5.700 882 2HG GLU 107 HG1 GLU 107 -3.514 -16.078 5.181 883 H ALA 108 HN ALA 108 1.433 -16.847 4.051 884 HA ALA 108 HA ALA 108 -0.027 -17.193 1.612 885 1HB ALA 108 HB2 ALA 108 -0.068 -14.558 2.516 886 2HB ALA 108 HB1 ALA 108 1.255 -14.578 1.350 887 3HB ALA 108 HB3 ALA 108 -0.360 -15.085 0.858 888 H ASP 109 HN ASP 109 1.453 -17.280 -0.219 889 HA ASP 109 HA ASP 109 4.050 -18.306 0.504 890 1HB ASP 109 HB2 ASP 109 3.172 -17.428 -2.259 891 2HB ASP 109 HB1 ASP 109 4.393 -18.633 -1.851 892 H GLN 110 HN GLN 110 5.842 -17.234 -1.291 893 HA GLN 110 HA GLN 110 6.155 -14.493 -0.187 894 1HB GLN 110 HB2 GLN 110 7.962 -16.611 -0.580 895 2HB GLN 110 HB1 GLN 110 8.382 -15.411 -1.802 896 1HG GLN 110 HG2 GLN 110 8.979 -13.826 -0.245 897 2HG GLN 110 HG1 GLN 110 7.825 -14.416 0.952 898 1HE2 GLN 110 HE22 GLN 110 11.051 -15.489 2.319 899 2HE2 GLN 110 HE21 GLN 110 10.123 -14.074 2.185 900 H SER 111 HN SER 111 4.640 -13.474 -1.607 901 HA SER 111 HA SER 111 4.874 -13.685 -4.491 902 1HB SER 111 HB2 SER 111 2.974 -12.434 -4.485 903 2HB SER 111 HB1 SER 111 2.993 -12.675 -2.743 904 HG SER 111 HG SER 111 3.153 -10.581 -2.692 905 H THR 112 HN THR 112 4.952 -11.110 -5.435 906 HA THR 112 HA THR 112 7.643 -10.156 -4.542 907 HB THR 112 HB THR 112 8.087 -9.516 -6.859 908 HG1 THR 112 HG1 THR 112 5.866 -10.835 -7.826 909 1HG2 THR 112 HG22 THR 112 8.504 -11.876 -6.045 910 2HG2 THR 112 HG21 THR 112 6.984 -12.334 -6.813 911 3HG2 THR 112 HG23 THR 112 8.317 -11.720 -7.791 912 H LEU 113 HN LEU 113 7.886 -7.928 -4.289 913 HA LEU 113 HA LEU 113 5.603 -6.383 -3.629 914 1HB LEU 113 HB2 LEU 113 8.313 -6.066 -3.351 915 2HB LEU 113 HB1 LEU 113 7.932 -4.838 -4.559 916 HG LEU 113 HG LEU 113 7.701 -3.847 -2.351 917 1HD1 LEU 113 HD13 LEU 113 6.036 -3.248 -4.117 918 2HD1 LEU 113 HD12 LEU 113 4.958 -4.489 -3.476 919 3HD1 LEU 113 HD11 LEU 113 5.384 -3.093 -2.485 920 1HD2 LEU 113 HD21 LEU 113 7.123 -6.291 -1.428 921 2HD2 LEU 113 HD23 LEU 113 6.601 -4.839 -0.575 922 3HD2 LEU 113 HD22 LEU 113 5.472 -5.702 -1.620 923 H GLU 114 HN GLU 114 7.037 -7.027 -6.733 924 HA GLU 114 HA GLU 114 5.981 -4.680 -8.066 925 1HB GLU 114 HB2 GLU 114 7.582 -6.980 -8.753 926 2HB GLU 114 HB1 GLU 114 6.308 -6.755 -9.952 927 1HG GLU 114 HG2 GLU 114 7.063 -4.638 -10.560 928 2HG GLU 114 HG1 GLU 114 7.866 -4.370 -9.013 929 H ASN 115 HN ASN 115 5.095 -8.099 -8.603 930 HA ASN 115 HA ASN 115 2.635 -7.601 -9.872 931 1HB ASN 115 HB2 ASN 115 4.026 -9.867 -8.895 932 2HB ASN 115 HB1 ASN 115 2.403 -9.945 -8.210 933 1HD2 ASN 115 HD22 ASN 115 1.024 -9.688 -11.698 934 2HD2 ASN 115 HD21 ASN 115 0.946 -8.690 -10.327 935 H PHE 116 HN PHE 116 3.416 -7.402 -6.470 936 HA PHE 116 HA PHE 116 0.635 -7.520 -5.580 937 1HB PHE 116 HB2 PHE 116 2.262 -8.193 -3.975 938 2HB PHE 116 HB1 PHE 116 3.242 -6.754 -4.251 939 HD1 PHE 116 HD1 PHE 116 -0.292 -7.618 -3.304 940 HD2 PHE 116 HD2 PHE 116 3.101 -5.062 -2.679 941 HE1 PHE 116 HE1 PHE 116 -1.520 -6.426 -1.509 942 HE2 PHE 116 HE2 PHE 116 1.875 -3.869 -0.884 943 HZ PHE 116 HZ PHE 116 -0.436 -4.551 -0.297 944 H LEU 117 HN LEU 117 2.988 -4.940 -6.282 945 HA LEU 117 HA LEU 117 1.312 -2.781 -5.374 946 1HB LEU 117 HB2 LEU 117 3.783 -3.060 -6.995 947 2HB LEU 117 HB1 LEU 117 2.825 -1.613 -7.309 948 HG LEU 117 HG LEU 117 3.562 -2.480 -4.509 949 1HD1 LEU 117 HD12 LEU 117 5.550 -2.009 -6.112 950 2HD1 LEU 117 HD11 LEU 117 5.000 -0.333 -6.063 951 3HD1 LEU 117 HD13 LEU 117 5.502 -1.139 -4.578 952 1HD2 LEU 117 HD22 LEU 117 1.665 -0.787 -5.138 953 2HD2 LEU 117 HD21 LEU 117 2.810 -0.348 -3.870 954 3HD2 LEU 117 HD23 LEU 117 2.998 0.310 -5.496 955 H GLU 118 HN GLU 118 1.569 -4.580 -8.379 956 HA GLU 118 HA GLU 118 -0.072 -2.820 -9.969 957 1HB GLU 118 HB2 GLU 118 1.227 -4.303 -11.246 958 2HB GLU 118 HB1 GLU 118 0.861 -5.672 -10.198 959 1HG GLU 118 HG2 GLU 118 -0.313 -5.744 -12.423 960 2HG GLU 118 HG1 GLU 118 -1.403 -5.798 -11.039 961 NH1 ARG 119 NH2 ARG 119 -0.290 -11.815 -7.107 962 NH2 ARG 119 NH1 ARG 119 -2.201 -12.834 -7.748 963 H ARG 119 HN ARG 119 -0.723 -5.880 -8.271 964 HA ARG 119 HA ARG 119 -3.561 -5.869 -8.771 965 1HB ARG 119 HB2 ARG 119 -2.071 -7.171 -6.462 966 2HB ARG 119 HB1 ARG 119 -3.669 -7.611 -7.066 967 1HG ARG 119 HG2 ARG 119 -2.819 -8.587 -9.001 968 2HG ARG 119 HG1 ARG 119 -1.343 -7.626 -8.964 969 1HD ARG 119 HD2 ARG 119 -0.330 -9.409 -8.028 970 2HD ARG 119 HD1 ARG 119 -1.280 -9.082 -6.579 971 HE ARG 119 HE ARG 119 -2.992 -10.555 -8.180 972 1HH1 ARG 119 HH21 ARG 119 0.251 -10.989 -6.960 973 2HH1 ARG 119 HH22 ARG 119 0.107 -12.710 -6.905 974 1HH2 ARG 119 HH11 ARG 119 -3.136 -12.787 -8.097 975 2HH2 ARG 119 HH12 ARG 119 -1.788 -13.721 -7.540 976 H LEU 120 HN LEU 120 -1.588 -4.009 -6.626 977 HA LEU 120 HA LEU 120 -3.648 -3.555 -4.617 978 1HB LEU 120 HB2 LEU 120 -0.896 -2.703 -5.114 979 2HB LEU 120 HB1 LEU 120 -1.910 -1.373 -4.561 980 HG LEU 120 HG LEU 120 -1.710 -4.065 -3.186 981 1HD1 LEU 120 HD13 LEU 120 -0.424 -1.381 -2.627 982 2HD1 LEU 120 HD12 LEU 120 -0.538 -2.659 -1.416 983 3HD1 LEU 120 HD11 LEU 120 0.385 -2.925 -2.896 984 1HD2 LEU 120 HD21 LEU 120 -3.500 -1.765 -2.965 985 2HD2 LEU 120 HD23 LEU 120 -3.645 -3.365 -2.236 986 3HD2 LEU 120 HD22 LEU 120 -2.687 -2.117 -1.440 987 H LYS 121 HN LYS 121 -2.362 -1.783 -7.419 988 HA LYS 121 HA LYS 121 -4.095 0.488 -7.283 989 1HB LYS 121 HB2 LYS 121 -2.644 -0.917 -9.520 990 2HB LYS 121 HB1 LYS 121 -3.686 0.466 -9.850 991 1HG LYS 121 HG2 LYS 121 -2.363 1.767 -8.146 992 2HG LYS 121 HG1 LYS 121 -1.245 0.406 -8.059 993 1HD LYS 121 HD2 LYS 121 -1.551 2.452 -10.159 994 2HD LYS 121 HD1 LYS 121 -0.149 1.471 -9.743 995 1HE LYS 121 HE2 LYS 121 -1.298 -0.486 -10.871 996 2HE LYS 121 HE1 LYS 121 -2.522 0.648 -11.445 997 1HZ LYS 121 HZ1 LYS 121 0.133 1.583 -11.926 998 2HZ LYS 121 HZ3 LYS 121 -0.147 0.081 -12.663 999 3HZ LYS 121 HZ2 LYS 121 -1.163 1.398 -13.010 1000 H THR 122 HN THR 122 -4.286 -2.368 -9.352 1001 HA THR 122 HA THR 122 -6.779 -1.995 -10.525 1002 HB THR 122 HB THR 122 -6.681 -4.751 -9.984 1003 HG1 THR 122 HG1 THR 122 -4.335 -4.940 -10.662 1004 1HG2 THR 122 HG22 THR 122 -5.563 -3.060 -12.231 1005 2HG2 THR 122 HG21 THR 122 -5.697 -4.817 -12.311 1006 3HG2 THR 122 HG23 THR 122 -7.149 -3.827 -12.162 1007 H ILE 123 HN ILE 123 -6.136 -3.677 -7.471 1008 HA ILE 123 HA ILE 123 -8.810 -4.332 -6.806 1009 HB ILE 123 HB ILE 123 -6.280 -3.925 -5.283 1010 1HG1 ILE 123 HG12 ILE 123 -6.468 -6.220 -4.859 1011 2HG1 ILE 123 HG11 ILE 123 -8.224 -6.203 -4.997 1012 1HG2 ILE 123 HG21 ILE 123 -9.054 -3.968 -4.091 1013 2HG2 ILE 123 HG23 ILE 123 -7.654 -4.543 -3.185 1014 3HG2 ILE 123 HG22 ILE 123 -7.723 -2.867 -3.732 1015 1HD1 ILE 123 HD13 ILE 123 -6.444 -5.641 -7.373 1016 2HD1 ILE 123 HD12 ILE 123 -6.914 -7.279 -6.933 1017 3HD1 ILE 123 HD11 ILE 123 -8.146 -6.098 -7.370 1018 H MET 124 HN MET 124 -6.995 -1.351 -6.264 1019 HA MET 124 HA MET 124 -9.026 -0.143 -4.587 1020 1HB MET 124 HB2 MET 124 -6.822 1.200 -6.168 1021 2HB MET 124 HB1 MET 124 -7.731 1.909 -4.835 1022 1HG MET 124 HG2 MET 124 -6.418 -0.703 -4.297 1023 2HG MET 124 HG1 MET 124 -5.353 0.692 -4.474 1024 1HE MET 124 HE1 MET 124 -4.835 2.194 -3.094 1025 2HE MET 124 HE3 MET 124 -6.264 3.221 -2.920 1026 3HE MET 124 HE2 MET 124 -5.453 2.584 -1.492 1027 NH1 ARG 125 NH2 ARG 125 -4.725 2.043 -12.278 1028 NH2 ARG 125 NH1 ARG 125 -5.391 3.876 -13.416 1029 H ARG 125 HN ARG 125 -8.512 -0.268 -8.058 1030 HA ARG 125 HA ARG 125 -10.315 1.965 -8.594 1031 1HB ARG 125 HB2 ARG 125 -8.760 0.017 -10.245 1032 2HB ARG 125 HB1 ARG 125 -10.087 0.900 -11.001 1033 1HG ARG 125 HG2 ARG 125 -9.004 2.912 -10.867 1034 2HG ARG 125 HG1 ARG 125 -8.237 2.513 -9.329 1035 1HD ARG 125 HD2 ARG 125 -6.386 1.670 -10.338 1036 2HD ARG 125 HD1 ARG 125 -7.329 0.845 -11.579 1037 HE ARG 125 HE ARG 125 -7.526 3.520 -12.263 1038 1HH1 ARG 125 HH21 ARG 125 -4.905 1.303 -11.633 1039 2HH1 ARG 125 HH22 ARG 125 -3.825 2.117 -12.708 1040 1HH2 ARG 125 HH11 ARG 125 -6.093 4.549 -13.645 1041 2HH2 ARG 125 HH12 ARG 125 -4.485 3.935 -13.835 1042 H GLU 126 HN GLU 126 -10.613 -1.575 -8.621 1043 HA GLU 126 HA GLU 126 -13.346 -1.357 -9.713 1044 1HB GLU 126 HB2 GLU 126 -11.339 -3.400 -9.587 1045 2HB GLU 126 HB1 GLU 126 -12.813 -4.004 -8.828 1046 1HG GLU 126 HG2 GLU 126 -12.761 -2.639 -11.531 1047 2HG GLU 126 HG1 GLU 126 -12.703 -4.389 -11.321 1048 H LYS 127 HN LYS 127 -11.771 -1.967 -6.632 1049 HA LYS 127 HA LYS 127 -14.249 -2.801 -5.326 1050 1HB LYS 127 HB2 LYS 127 -11.846 -3.474 -4.676 1051 2HB LYS 127 HB1 LYS 127 -11.739 -1.880 -3.928 1052 1HG LYS 127 HG2 LYS 127 -12.539 -3.078 -2.126 1053 2HG LYS 127 HG1 LYS 127 -14.073 -2.627 -2.870 1054 1HD LYS 127 HD2 LYS 127 -14.541 -4.835 -2.955 1055 2HD LYS 127 HD1 LYS 127 -13.328 -4.942 -4.231 1056 1HE LYS 127 HE2 LYS 127 -11.697 -5.761 -2.806 1057 2HE LYS 127 HE1 LYS 127 -12.395 -4.977 -1.388 1058 1HZ LYS 127 HZ1 LYS 127 -14.052 -6.986 -2.668 1059 2HZ LYS 127 HZ3 LYS 127 -12.651 -7.571 -1.911 1060 3HZ LYS 127 HZ2 LYS 127 -13.789 -6.680 -1.018 1061 OH TYR 128 OH TYR 128 -8.470 2.868 -1.220 1062 H TYR 128 HN TYR 128 -12.423 0.205 -5.703 1063 HA TYR 128 HA TYR 128 -13.771 1.653 -3.627 1064 1HB TYR 128 HB2 TYR 128 -12.227 2.442 -6.076 1065 2HB TYR 128 HB1 TYR 128 -13.098 3.665 -5.158 1066 HD1 TYR 128 HD1 TYR 128 -11.351 0.583 -3.900 1067 HD2 TYR 128 HD2 TYR 128 -11.433 4.877 -4.034 1068 HE1 TYR 128 HE1 TYR 128 -9.548 0.667 -2.210 1069 HE2 TYR 128 HE2 TYR 128 -9.626 4.951 -2.341 1070 HH TYR 128 HH TYR 128 -8.872 2.742 -0.357 1071 H SER 129 HN SER 129 -14.925 0.538 -6.667 1072 HA SER 129 HA SER 129 -16.973 2.657 -6.864 1073 1HB SER 129 HB2 SER 129 -17.677 1.432 -8.904 1074 2HB SER 129 HB1 SER 129 -15.962 1.832 -8.940 1075 HG SER 129 HG SER 129 -16.943 -0.501 -9.300 1076 H LYS 130 HN LYS 130 -17.140 1.126 -4.468 1077 HA LYS 130 HA LYS 130 -19.874 0.128 -4.734 1078 1HB LYS 130 HB2 LYS 130 -17.748 -1.714 -4.981 1079 2HB LYS 130 HB1 LYS 130 -18.394 -1.935 -3.355 1080 1HG LYS 130 HG2 LYS 130 -19.862 -3.295 -4.492 1081 2HG LYS 130 HG1 LYS 130 -20.717 -1.765 -4.687 1082 1HD LYS 130 HD2 LYS 130 -20.425 -1.812 -6.921 1083 2HD LYS 130 HD1 LYS 130 -18.689 -2.064 -6.736 1084 1HE LYS 130 HE2 LYS 130 -19.535 -4.522 -6.056 1085 2HE LYS 130 HE1 LYS 130 -20.864 -4.063 -7.121 1086 1HZ LYS 130 HZ1 LYS 130 -18.050 -3.682 -7.930 1087 2HZ LYS 130 HZ3 LYS 130 -18.831 -5.170 -8.157 1088 3HZ LYS 130 HZ2 LYS 130 -19.435 -3.771 -8.910 1089 H CYS 131 HN CYS 131 -18.249 2.175 -3.209 1090 HA CYS 131 HA CYS 131 -18.438 1.206 -0.427 1091 1HB CYS 131 HB2 CYS 131 -16.675 2.881 -1.498 1092 2HB CYS 131 HB1 CYS 131 -17.912 4.075 -1.104 1093 H SER 132 HN SER 132 -20.212 3.255 -2.665 1094 HA SER 132 HA SER 132 -21.910 4.482 -0.670 1095 1HB SER 132 HB2 SER 132 -23.396 4.936 -2.693 1096 2HB SER 132 HB1 SER 132 -21.757 5.571 -2.797 1097 HG SER 132 HG SER 132 -22.384 4.446 -4.694 1098 H SER 133 HN SER 133 -24.240 3.996 -0.419 1099 HA SER 133 HA SER 133 -25.215 1.381 -1.302 1100 1HB SER 133 HB2 SER 133 -24.973 1.812 1.677 1101 2HB SER 133 HB1 SER 133 -25.370 0.325 0.821 1102 HG SER 133 HG SER 133 -23.302 -0.030 0.966 Start of MODEL 2 Raw file had 1102 H/Q atoms Start of MODEL 2 1 1H GLU 1 HT3 GLU 1 -20.647 21.993 3.002 2 2H GLU 1 HT2 GLU 1 -20.633 22.286 4.675 3 3H GLU 1 HT1 GLU 1 -19.172 22.195 3.814 4 HA GLU 1 HA GLU 1 -19.515 19.870 3.361 5 1HB GLU 1 HB2 GLU 1 -18.681 20.878 5.687 6 2HB GLU 1 HB1 GLU 1 -20.140 20.084 6.276 7 1HG GLU 1 HG2 GLU 1 -19.188 18.087 4.759 8 2HG GLU 1 HG1 GLU 1 -17.660 18.884 5.138 9 H ALA 2 HN ALA 2 -21.724 20.037 2.222 10 HA ALA 2 HA ALA 2 -23.631 18.393 3.749 11 1HB ALA 2 HB1 ALA 2 -23.995 21.158 3.695 12 2HB ALA 2 HB3 ALA 2 -25.062 20.564 2.423 13 3HB ALA 2 HB2 ALA 2 -25.230 19.957 4.070 14 H GLU 3 HN GLU 3 -21.936 18.044 1.373 15 HA GLU 3 HA GLU 3 -23.928 17.951 -0.830 16 1HB GLU 3 HB2 GLU 3 -21.459 18.784 -1.046 17 2HB GLU 3 HB1 GLU 3 -21.060 17.066 -1.067 18 1HG GLU 3 HG2 GLU 3 -21.489 17.151 -3.286 19 2HG GLU 3 HG1 GLU 3 -23.191 17.231 -2.829 20 H ALA 4 HN ALA 4 -21.808 15.815 1.069 21 HA ALA 4 HA ALA 4 -23.660 13.582 0.542 22 1HB ALA 4 HB2 ALA 4 -21.909 13.613 -1.318 23 2HB ALA 4 HB1 ALA 4 -20.715 13.250 -0.073 24 3HB ALA 4 HB3 ALA 4 -22.022 12.112 -0.401 25 H HIS 5 HN HIS 5 -21.926 11.552 1.544 26 HA HIS 5 HA HIS 5 -21.824 12.395 4.386 27 1HB HIS 5 HB2 HIS 5 -21.705 9.690 3.026 28 2HB HIS 5 HB1 HIS 5 -21.453 9.905 4.759 29 HD1 HIS 5 HD1 HIS 5 -23.497 10.643 6.191 30 HD2 HIS 5 HD2 HIS 5 -24.393 10.062 2.161 31 HE1 HIS 5 HE1 HIS 5 -26.023 10.620 6.015 32 H LYS 6 HN LYS 6 -19.757 10.036 2.695 33 HA LYS 6 HA LYS 6 -17.380 11.623 2.697 34 1HB LYS 6 HB2 LYS 6 -17.956 11.183 5.240 35 2HB LYS 6 HB1 LYS 6 -17.248 9.603 4.903 36 1HG LYS 6 HG2 LYS 6 -15.143 10.447 4.700 37 2HG LYS 6 HG1 LYS 6 -15.704 11.894 3.858 38 1HD LYS 6 HD2 LYS 6 -15.871 13.096 5.779 39 2HD LYS 6 HD1 LYS 6 -16.540 11.735 6.680 40 1HE LYS 6 HE2 LYS 6 -13.734 11.347 5.910 41 2HE LYS 6 HE1 LYS 6 -13.981 12.730 6.977 42 1HZ LYS 6 HZ1 LYS 6 -15.297 11.233 8.428 43 2HZ LYS 6 HZ3 LYS 6 -14.825 9.927 7.456 44 3HZ LYS 6 HZ2 LYS 6 -13.656 10.808 8.316 45 H CYS 7 HN CYS 7 -17.078 10.544 0.709 46 HA CYS 7 HA CYS 7 -15.899 7.857 0.959 47 1HB CYS 7 HB2 CYS 7 -18.222 7.278 0.564 48 2HB CYS 7 HB1 CYS 7 -18.316 8.410 -0.784 49 H ASP 8 HN ASP 8 -17.157 9.767 -1.796 50 HA ASP 8 HA ASP 8 -14.938 9.309 -3.478 51 1HB ASP 8 HB2 ASP 8 -16.253 10.480 -4.870 52 2HB ASP 8 HB1 ASP 8 -17.286 10.925 -3.510 53 H ILE 9 HN ILE 9 -15.244 11.483 -0.772 54 HA ILE 9 HA ILE 9 -13.125 13.282 -1.523 55 HB ILE 9 HB ILE 9 -14.404 12.623 1.133 56 1HG1 ILE 9 HG12 ILE 9 -14.539 15.087 -0.632 57 2HG1 ILE 9 HG11 ILE 9 -15.744 13.799 -0.638 58 1HG2 ILE 9 HG22 ILE 9 -12.143 14.479 0.426 59 2HG2 ILE 9 HG21 ILE 9 -13.249 14.890 1.737 60 3HG2 ILE 9 HG23 ILE 9 -12.302 13.405 1.817 61 1HD1 ILE 9 HD12 ILE 9 -15.004 15.035 1.985 62 2HD1 ILE 9 HD11 ILE 9 -16.057 15.942 0.899 63 3HD1 ILE 9 HD13 ILE 9 -16.541 14.343 1.467 64 H THR 10 HN THR 10 -12.881 11.329 1.439 65 HA THR 10 HA THR 10 -10.033 11.197 1.286 66 HB THR 10 HB THR 10 -11.951 9.444 2.842 67 HG1 THR 10 HG1 THR 10 -11.933 11.006 4.279 68 1HG2 THR 10 HG23 THR 10 -8.969 9.928 3.085 69 2HG2 THR 10 HG22 THR 10 -9.942 9.154 4.337 70 3HG2 THR 10 HG21 THR 10 -9.775 8.394 2.755 71 H LEU 11 HN LEU 11 -12.512 8.887 0.239 72 HA LEU 11 HA LEU 11 -10.739 6.705 -0.215 73 1HB LEU 11 HB2 LEU 11 -13.282 6.616 -0.192 74 2HB LEU 11 HB1 LEU 11 -13.230 7.253 -1.836 75 HG LEU 11 HG LEU 11 -11.827 5.356 -2.537 76 1HD1 LEU 11 HD11 LEU 11 -11.995 4.734 0.395 77 2HD1 LEU 11 HD13 LEU 11 -11.856 3.403 -0.754 78 3HD1 LEU 11 HD12 LEU 11 -10.604 4.643 -0.685 79 1HD2 LEU 11 HD21 LEU 11 -14.560 5.151 -1.530 80 2HD2 LEU 11 HD23 LEU 11 -13.873 4.536 -3.032 81 3HD2 LEU 11 HD22 LEU 11 -13.741 3.589 -1.551 82 H GLN 12 HN GLN 12 -11.990 9.091 -2.615 83 HA GLN 12 HA GLN 12 -10.435 8.081 -4.775 84 1HB GLN 12 HB2 GLN 12 -11.169 9.905 -5.976 85 2HB GLN 12 HB1 GLN 12 -12.328 9.967 -4.650 86 1HG GLN 12 HG2 GLN 12 -10.751 11.537 -3.455 87 2HG GLN 12 HG1 GLN 12 -9.782 11.586 -4.930 88 1HE2 GLN 12 HE22 GLN 12 -11.944 14.440 -5.476 89 2HE2 GLN 12 HE21 GLN 12 -10.490 14.013 -4.710 90 H GLU 13 HN GLU 13 -9.635 10.421 -2.238 91 HA GLU 13 HA GLU 13 -7.109 11.236 -3.329 92 1HB GLU 13 HB2 GLU 13 -8.557 11.518 -0.812 93 2HB GLU 13 HB1 GLU 13 -6.827 11.291 -0.546 94 1HG GLU 13 HG2 GLU 13 -6.333 13.341 -1.365 95 2HG GLU 13 HG1 GLU 13 -7.397 13.125 -2.756 96 H ILE 14 HN ILE 14 -8.143 8.465 -1.440 97 HA ILE 14 HA ILE 14 -5.505 7.498 -0.778 98 HB ILE 14 HB ILE 14 -8.278 6.611 -0.482 99 1HG1 ILE 14 HG12 ILE 14 -5.999 5.507 1.101 100 2HG1 ILE 14 HG11 ILE 14 -6.283 7.247 1.188 101 1HG2 ILE 14 HG21 ILE 14 -6.137 4.558 -1.128 102 2HG2 ILE 14 HG23 ILE 14 -7.667 4.171 -0.344 103 3HG2 ILE 14 HG22 ILE 14 -7.660 4.808 -1.986 104 1HD1 ILE 14 HD13 ILE 14 -8.835 6.211 1.414 105 2HD1 ILE 14 HD12 ILE 14 -7.864 5.041 2.307 106 3HD1 ILE 14 HD11 ILE 14 -7.830 6.745 2.764 107 H ILE 15 HN ILE 15 -7.680 7.123 -3.519 108 HA ILE 15 HA ILE 15 -6.295 4.940 -4.782 109 HB ILE 15 HB ILE 15 -8.215 7.063 -5.696 110 1HG1 ILE 15 HG12 ILE 15 -8.350 4.060 -6.029 111 2HG1 ILE 15 HG11 ILE 15 -8.843 4.849 -4.530 112 1HG2 ILE 15 HG21 ILE 15 -6.569 5.220 -7.433 113 2HG2 ILE 15 HG23 ILE 15 -8.122 5.866 -7.961 114 3HG2 ILE 15 HG22 ILE 15 -6.789 6.963 -7.596 115 1HD1 ILE 15 HD11 ILE 15 -9.920 6.006 -7.048 116 2HD1 ILE 15 HD13 ILE 15 -10.552 4.428 -6.576 117 3HD1 ILE 15 HD12 ILE 15 -10.701 5.802 -5.480 118 H LYS 16 HN LYS 16 -5.993 8.469 -4.979 119 HA LYS 16 HA LYS 16 -4.013 8.492 -7.063 120 1HB LYS 16 HB2 LYS 16 -5.346 10.407 -5.396 121 2HB LYS 16 HB1 LYS 16 -3.610 10.712 -5.320 122 1HG LYS 16 HG2 LYS 16 -4.454 11.959 -7.195 123 2HG LYS 16 HG1 LYS 16 -3.581 10.576 -7.852 124 1HD LYS 16 HD2 LYS 16 -5.465 10.152 -9.030 125 2HD LYS 16 HD1 LYS 16 -6.135 9.572 -7.505 126 1HE LYS 16 HE2 LYS 16 -7.725 11.158 -8.175 127 2HE LYS 16 HE1 LYS 16 -6.699 12.092 -7.084 128 1HZ LYS 16 HZ2 LYS 16 -5.437 12.849 -9.029 129 2HZ LYS 16 HZ1 LYS 16 -6.514 12.019 -10.048 130 3HZ LYS 16 HZ3 LYS 16 -7.068 13.316 -9.106 131 H THR 17 HN THR 17 -3.834 8.205 -3.549 132 HA THR 17 HA THR 17 -0.998 8.576 -3.312 133 HB THR 17 HB THR 17 -2.469 6.692 -1.502 134 HG1 THR 17 HG1 THR 17 -2.734 9.448 -1.143 135 1HG2 THR 17 HG21 THR 17 -0.064 7.382 -1.176 136 2HG2 THR 17 HG23 THR 17 -0.635 9.033 -0.928 137 3HG2 THR 17 HG22 THR 17 -1.117 7.755 0.188 138 H LEU 18 HN LEU 18 -3.007 5.704 -3.911 139 HA LEU 18 HA LEU 18 -0.916 3.782 -3.713 140 1HB LEU 18 HB2 LEU 18 -3.575 3.581 -4.101 141 2HB LEU 18 HB1 LEU 18 -3.025 3.331 -5.758 142 HG LEU 18 HG LEU 18 -2.399 1.697 -3.301 143 1HD1 LEU 18 HD11 LEU 18 -3.976 1.423 -5.704 144 2HD1 LEU 18 HD13 LEU 18 -2.751 0.157 -5.644 145 3HD1 LEU 18 HD12 LEU 18 -3.888 0.346 -4.309 146 1HD2 LEU 18 HD23 LEU 18 -0.802 1.914 -5.867 147 2HD2 LEU 18 HD22 LEU 18 -0.210 2.036 -4.210 148 3HD2 LEU 18 HD21 LEU 18 -0.746 0.482 -4.842 149 H ASN 19 HN ASN 19 -2.265 5.405 -6.600 150 HA ASN 19 HA ASN 19 -0.566 4.318 -8.547 151 1HB ASN 19 HB2 ASN 19 -2.421 5.742 -9.168 152 2HB ASN 19 HB1 ASN 19 -1.704 7.118 -8.330 153 1HD2 ASN 19 HD22 ASN 19 0.080 8.083 -11.193 154 2HD2 ASN 19 HD21 ASN 19 -0.690 8.530 -9.748 155 H SER 20 HN SER 20 0.038 7.111 -6.421 156 HA SER 20 HA SER 20 2.519 7.911 -7.543 157 1HB SER 20 HB2 SER 20 1.197 9.164 -5.798 158 2HB SER 20 HB1 SER 20 1.770 7.998 -4.608 159 HG SER 20 HG SER 20 3.285 9.522 -4.511 160 H LEU 21 HN LEU 21 1.825 5.526 -4.977 161 HA LEU 21 HA LEU 21 4.623 4.881 -4.561 162 1HB LEU 21 HB2 LEU 21 2.139 3.302 -3.833 163 2HB LEU 21 HB1 LEU 21 3.763 3.020 -3.202 164 HG LEU 21 HG LEU 21 2.417 5.710 -2.949 165 1HD1 LEU 21 HD11 LEU 21 1.892 3.199 -1.477 166 2HD1 LEU 21 HD13 LEU 21 2.209 4.606 -0.461 167 3HD1 LEU 21 HD12 LEU 21 0.892 4.644 -1.634 168 1HD2 LEU 21 HD21 LEU 21 4.798 4.302 -1.771 169 2HD2 LEU 21 HD23 LEU 21 4.691 5.929 -2.442 170 3HD2 LEU 21 HD22 LEU 21 4.005 5.582 -0.855 171 H THR 22 HN THR 22 2.299 3.908 -6.937 172 HA THR 22 HA THR 22 3.623 1.360 -7.529 173 HB THR 22 HB THR 22 1.834 2.549 -9.560 174 HG1 THR 22 HG1 THR 22 0.036 2.408 -8.271 175 1HG2 THR 22 HG21 THR 22 2.038 -0.072 -8.059 176 2HG2 THR 22 HG23 THR 22 0.754 0.272 -9.218 177 3HG2 THR 22 HG22 THR 22 2.435 0.235 -9.750 178 H GLU 23 HN GLU 23 4.448 4.558 -8.136 179 HA GLU 23 HA GLU 23 5.359 4.257 -10.880 180 1HB GLU 23 HB2 GLU 23 5.331 6.354 -8.827 181 2HB GLU 23 HB1 GLU 23 6.793 6.366 -9.811 182 1HG GLU 23 HG2 GLU 23 5.660 7.290 -11.518 183 2HG GLU 23 HG1 GLU 23 4.539 5.929 -11.533 184 H GLN 24 HN GLN 24 6.596 3.205 -7.856 185 HA GLN 24 HA GLN 24 9.302 2.897 -9.087 186 1HB GLN 24 HB2 GLN 24 8.883 4.327 -6.879 187 2HB GLN 24 HB1 GLN 24 8.932 2.729 -6.130 188 1HG GLN 24 HG2 GLN 24 11.187 3.543 -6.121 189 2HG GLN 24 HG1 GLN 24 11.101 2.331 -7.400 190 1HE2 GLN 24 HE22 GLN 24 12.664 4.881 -9.354 191 2HE2 GLN 24 HE21 GLN 24 12.940 3.452 -8.480 192 H LYS 25 HN LYS 25 8.337 0.920 -10.008 193 HA LYS 25 HA LYS 25 8.252 -1.292 -7.999 194 1HB LYS 25 HB2 LYS 25 6.994 -2.354 -10.196 195 2HB LYS 25 HB1 LYS 25 6.159 -1.631 -8.827 196 1HG LYS 25 HG2 LYS 25 5.264 -0.632 -10.828 197 2HG LYS 25 HG1 LYS 25 6.258 0.589 -10.043 198 1HD LYS 25 HD2 LYS 25 8.146 -0.500 -11.601 199 2HD LYS 25 HD1 LYS 25 6.741 -0.916 -12.577 200 1HE LYS 25 HE2 LYS 25 6.786 1.858 -11.543 201 2HE LYS 25 HE1 LYS 25 8.035 1.478 -12.729 202 1HZ LYS 25 HZ2 LYS 25 5.813 0.338 -13.778 203 2HZ LYS 25 HZ1 LYS 25 5.199 1.760 -13.081 204 3HZ LYS 25 HZ3 LYS 25 6.447 1.848 -14.226 205 H THR 26 HN THR 26 10.718 -0.859 -8.604 206 HA THR 26 HA THR 26 11.487 -3.070 -10.357 207 HB THR 26 HB THR 26 12.580 -0.364 -11.108 208 HG1 THR 26 HG1 THR 26 10.464 -1.625 -12.473 209 1HG2 THR 26 HG21 THR 26 12.722 -3.145 -12.077 210 2HG2 THR 26 HG23 THR 26 12.480 -1.938 -13.340 211 3HG2 THR 26 HG22 THR 26 13.875 -1.825 -12.267 212 H LEU 27 HN LEU 27 12.792 -0.083 -8.853 213 HA LEU 27 HA LEU 27 15.230 -1.563 -8.097 214 1HB LEU 27 HB2 LEU 27 14.548 1.188 -8.577 215 2HB LEU 27 HB1 LEU 27 15.243 1.036 -6.963 216 HG LEU 27 HG LEU 27 17.139 -0.263 -7.956 217 1HD1 LEU 27 HD12 LEU 27 15.409 -0.025 -10.304 218 2HD1 LEU 27 HD11 LEU 27 17.066 0.483 -10.632 219 3HD1 LEU 27 HD13 LEU 27 16.748 -1.135 -10.006 220 1HD2 LEU 27 HD21 LEU 27 16.515 2.568 -8.739 221 2HD2 LEU 27 HD23 LEU 27 17.743 1.963 -7.627 222 3HD2 LEU 27 HD22 LEU 27 17.979 1.812 -9.368 223 H CYS 28 HN CYS 28 12.447 -0.029 -6.513 224 HA CYS 28 HA CYS 28 13.489 -0.809 -3.861 225 1HB CYS 28 HB2 CYS 28 11.790 1.233 -4.804 226 2HB CYS 28 HB1 CYS 28 10.775 0.180 -3.820 227 H THR 29 HN THR 29 11.109 -1.897 -6.192 228 HA THR 29 HA THR 29 9.833 -3.695 -4.238 229 HB THR 29 HB THR 29 8.511 -4.432 -6.262 230 HG1 THR 29 HG1 THR 29 10.465 -3.405 -7.543 231 1HG2 THR 29 HG23 THR 29 7.914 -2.518 -4.677 232 2HG2 THR 29 HG22 THR 29 8.542 -1.429 -5.914 233 3HG2 THR 29 HG21 THR 29 7.160 -2.467 -6.270 234 H GLU 30 HN GLU 30 12.768 -3.937 -5.533 235 HA GLU 30 HA GLU 30 12.629 -6.558 -6.791 236 1HB GLU 30 HB2 GLU 30 15.079 -6.461 -6.756 237 2HB GLU 30 HB1 GLU 30 14.418 -4.929 -7.326 238 1HG GLU 30 HG2 GLU 30 15.422 -3.829 -5.642 239 2HG GLU 30 HG1 GLU 30 14.625 -4.861 -4.455 240 H LEU 31 HN LEU 31 12.233 -5.716 -3.571 241 HA LEU 31 HA LEU 31 13.773 -7.978 -2.512 242 1HB LEU 31 HB2 LEU 31 11.795 -6.187 -1.065 243 2HB LEU 31 HB1 LEU 31 13.042 -7.203 -0.341 244 HG LEU 31 HG LEU 31 13.628 -4.910 -2.233 245 1HD1 LEU 31 HD12 LEU 31 12.554 -4.186 -0.078 246 2HD1 LEU 31 HD11 LEU 31 13.870 -4.977 0.789 247 3HD1 LEU 31 HD13 LEU 31 14.209 -3.607 -0.268 248 1HD2 LEU 31 HD23 LEU 31 15.178 -7.075 -1.201 249 2HD2 LEU 31 HD22 LEU 31 15.734 -5.716 -2.177 250 3HD2 LEU 31 HD21 LEU 31 15.739 -5.598 -0.418 251 H THR 32 HN THR 32 10.961 -7.941 -0.738 252 HA THR 32 HA THR 32 9.183 -9.398 -2.484 253 HB THR 32 HB THR 32 9.452 -11.503 -0.856 254 HG1 THR 32 HG1 THR 32 11.852 -11.720 -0.691 255 1HG2 THR 32 HG21 THR 32 9.869 -11.102 -3.460 256 2HG2 THR 32 HG23 THR 32 11.550 -11.325 -2.975 257 3HG2 THR 32 HG22 THR 32 10.368 -12.597 -2.669 258 H VAL 33 HN VAL 33 7.309 -10.312 -1.101 259 HA VAL 33 HA VAL 33 7.135 -9.247 1.630 260 HB VAL 33 HB VAL 33 4.958 -7.992 0.923 261 1HG1 VAL 33 HG11 VAL 33 7.395 -7.130 1.578 262 2HG1 VAL 33 HG13 VAL 33 7.403 -6.612 -0.108 263 3HG1 VAL 33 HG12 VAL 33 6.160 -6.016 0.992 264 1HG2 VAL 33 HG23 VAL 33 5.109 -8.945 -1.425 265 2HG2 VAL 33 HG22 VAL 33 4.911 -7.195 -1.348 266 3HG2 VAL 33 HG21 VAL 33 6.497 -7.889 -1.684 267 H THR 34 HN THR 34 4.536 -9.465 2.185 268 HA THR 34 HA THR 34 4.018 -12.324 1.814 269 HB THR 34 HB THR 34 3.433 -10.413 3.788 270 HG1 THR 34 HG1 THR 34 3.773 -12.429 4.423 271 1HG2 THR 34 HG22 THR 34 1.396 -9.827 2.469 272 2HG2 THR 34 HG21 THR 34 0.870 -11.508 2.594 273 3HG2 THR 34 HG23 THR 34 1.017 -10.519 4.045 274 H ASP 35 HN ASP 35 2.175 -13.199 0.781 275 HA ASP 35 HA ASP 35 0.878 -11.352 -1.177 276 1HB ASP 35 HB2 ASP 35 2.222 -13.539 -1.836 277 2HB ASP 35 HB1 ASP 35 0.716 -14.342 -1.389 278 H ILE 36 HN ILE 36 -0.891 -10.619 0.006 279 HA ILE 36 HA ILE 36 -2.560 -12.585 1.455 280 HB ILE 36 HB ILE 36 -3.565 -10.749 2.511 281 1HG1 ILE 36 HG12 ILE 36 -2.803 -9.263 -0.005 282 2HG1 ILE 36 HG11 ILE 36 -4.405 -9.476 0.703 283 1HG2 ILE 36 HG21 ILE 36 -1.042 -10.924 2.865 284 2HG2 ILE 36 HG23 ILE 36 -0.883 -9.580 1.734 285 3HG2 ILE 36 HG22 ILE 36 -1.758 -9.358 3.249 286 1HD1 ILE 36 HD12 ILE 36 -3.243 -8.210 2.755 287 2HD1 ILE 36 HD11 ILE 36 -2.241 -7.566 1.453 288 3HD1 ILE 36 HD13 ILE 36 -3.988 -7.329 1.422 289 H PHE 37 HN PHE 37 -2.358 -12.253 -1.648 290 HA PHE 37 HA PHE 37 -5.283 -11.856 -2.114 291 1HB PHE 37 HB2 PHE 37 -2.970 -11.666 -4.070 292 2HB PHE 37 HB1 PHE 37 -4.671 -11.431 -4.476 293 HD1 PHE 37 HD1 PHE 37 -1.840 -10.096 -2.472 294 HD2 PHE 37 HD2 PHE 37 -5.806 -9.385 -3.964 295 HE1 PHE 37 HE1 PHE 37 -1.687 -7.728 -1.754 296 HE2 PHE 37 HE2 PHE 37 -5.648 -7.018 -3.245 297 HZ PHE 37 HZ PHE 37 -3.594 -6.190 -2.141 298 H ALA 38 HN ALA 38 -2.525 -13.985 -2.662 299 HA ALA 38 HA ALA 38 -3.731 -15.874 -4.389 300 1HB ALA 38 HB3 ALA 38 -1.290 -15.689 -3.321 301 2HB ALA 38 HB2 ALA 38 -1.966 -16.862 -2.191 302 3HB ALA 38 HB1 ALA 38 -1.919 -17.225 -3.915 303 H ALA 39 HN ALA 39 -4.147 -15.345 -0.943 304 HA ALA 39 HA ALA 39 -5.931 -17.742 -0.844 305 1HB ALA 39 HB2 ALA 39 -3.941 -17.513 0.782 306 2HB ALA 39 HB1 ALA 39 -4.880 -16.235 1.554 307 3HB ALA 39 HB3 ALA 39 -5.515 -17.879 1.488 308 H SER 40 HN SER 40 -7.871 -16.821 -1.565 309 HA SER 40 HA SER 40 -9.044 -14.786 0.268 310 1HB SER 40 HB2 SER 40 -9.683 -13.351 -1.437 311 2HB SER 40 HB1 SER 40 -8.155 -13.938 -2.086 312 HG SER 40 HG SER 40 -9.723 -14.162 -3.659 313 H LYS 41 HN LYS 41 -11.444 -14.800 0.188 314 HA LYS 41 HA LYS 41 -12.809 -16.944 -1.230 315 1HB LYS 41 HB2 LYS 41 -11.579 -17.669 1.171 316 2HB LYS 41 HB1 LYS 41 -13.264 -17.396 1.614 317 1HG LYS 41 HG2 LYS 41 -14.040 -18.965 -0.029 318 2HG LYS 41 HG1 LYS 41 -12.440 -19.079 -0.763 319 1HD LYS 41 HD2 LYS 41 -11.713 -20.575 0.779 320 2HD LYS 41 HD1 LYS 41 -12.463 -19.695 2.111 321 1HE LYS 41 HE2 LYS 41 -13.525 -21.890 1.862 322 2HE LYS 41 HE1 LYS 41 -14.673 -20.616 1.448 323 1HZ LYS 41 HZ3 LYS 41 -13.000 -21.922 -0.607 324 2HZ LYS 41 HZ2 LYS 41 -14.491 -22.580 -0.126 325 3HZ LYS 41 HZ1 LYS 41 -14.426 -21.030 -0.818 326 H ASP 42 HN ASP 42 -12.969 -14.764 1.601 327 HA ASP 42 HA ASP 42 -15.446 -13.599 0.518 328 1HB ASP 42 HB2 ASP 42 -15.423 -15.540 2.719 329 2HB ASP 42 HB1 ASP 42 -16.209 -14.022 3.148 330 H THR 43 HN THR 43 -12.743 -12.637 1.068 331 HA THR 43 HA THR 43 -12.955 -10.995 3.497 332 HB THR 43 HB THR 43 -10.764 -10.020 2.518 333 HG1 THR 43 HG1 THR 43 -10.547 -12.341 1.048 334 1HG2 THR 43 HG23 THR 43 -11.341 -12.666 3.678 335 2HG2 THR 43 HG22 THR 43 -9.769 -12.549 2.886 336 3HG2 THR 43 HG21 THR 43 -10.182 -11.439 4.192 337 H THR 44 HN THR 44 -13.075 -8.676 3.468 338 HA THR 44 HA THR 44 -14.470 -7.631 1.064 339 HB THR 44 HB THR 44 -14.267 -5.775 3.293 340 HG1 THR 44 HG1 THR 44 -14.358 -7.274 4.773 341 1HG2 THR 44 HG23 THR 44 -16.367 -7.061 1.595 342 2HG2 THR 44 HG22 THR 44 -16.865 -6.293 3.102 343 3HG2 THR 44 HG21 THR 44 -16.036 -5.350 1.863 344 H GLU 45 HN GLU 45 -13.957 -5.077 0.857 345 HA GLU 45 HA GLU 45 -11.131 -4.975 0.115 346 1HB GLU 45 HB2 GLU 45 -11.649 -3.001 -1.030 347 2HB GLU 45 HB1 GLU 45 -13.181 -3.871 -1.091 348 1HG GLU 45 HG2 GLU 45 -13.841 -2.635 1.028 349 2HG GLU 45 HG1 GLU 45 -12.408 -1.631 0.792 350 H LYS 46 HN LYS 46 -13.193 -3.590 2.643 351 HA LYS 46 HA LYS 46 -11.183 -1.803 3.683 352 1HB LYS 46 HB2 LYS 46 -12.924 -1.132 4.939 353 2HB LYS 46 HB1 LYS 46 -13.888 -2.445 4.270 354 1HG LYS 46 HG2 LYS 46 -13.058 -3.962 6.036 355 2HG LYS 46 HG1 LYS 46 -12.081 -2.652 6.705 356 1HD LYS 46 HD2 LYS 46 -13.849 -1.912 7.873 357 2HD LYS 46 HD1 LYS 46 -14.768 -1.713 6.382 358 1HE LYS 46 HE2 LYS 46 -14.446 -4.412 7.697 359 2HE LYS 46 HE1 LYS 46 -15.749 -3.310 8.147 360 1HZ LYS 46 HZ2 LYS 46 -15.577 -3.469 5.341 361 2HZ LYS 46 HZ1 LYS 46 -15.661 -5.042 5.977 362 3HZ LYS 46 HZ3 LYS 46 -16.868 -3.911 6.353 363 H GLU 47 HN GLU 47 -12.117 -5.151 4.418 364 HA GLU 47 HA GLU 47 -10.258 -5.458 6.605 365 1HB GLU 47 HB2 GLU 47 -12.270 -7.014 5.433 366 2HB GLU 47 HB1 GLU 47 -10.786 -7.920 5.137 367 1HG GLU 47 HG2 GLU 47 -11.763 -6.902 7.822 368 2HG GLU 47 HG1 GLU 47 -11.711 -8.585 7.294 369 H THR 48 HN THR 48 -10.087 -5.951 3.109 370 HA THR 48 HA THR 48 -7.484 -7.202 3.126 371 HB THR 48 HB THR 48 -8.821 -5.616 0.912 372 HG1 THR 48 HG1 THR 48 -8.769 -8.413 1.322 373 1HG2 THR 48 HG21 THR 48 -6.264 -6.972 1.156 374 2HG2 THR 48 HG23 THR 48 -7.246 -7.686 -0.124 375 3HG2 THR 48 HG22 THR 48 -6.871 -5.963 -0.158 376 H PHE 49 HN PHE 49 -8.565 -3.877 3.338 377 HA PHE 49 HA PHE 49 -6.000 -2.738 2.557 378 1HB PHE 49 HB2 PHE 49 -8.435 -1.583 3.940 379 2HB PHE 49 HB1 PHE 49 -6.981 -0.635 3.636 380 HD1 PHE 49 HD2 PHE 49 -6.132 -1.632 0.975 381 HD2 PHE 49 HD1 PHE 49 -10.054 -0.722 2.475 382 HE1 PHE 49 HE2 PHE 49 -6.919 -1.212 -1.336 383 HE2 PHE 49 HE1 PHE 49 -10.837 -0.299 0.162 384 HZ PHE 49 HZ PHE 49 -9.272 -0.546 -1.743 385 H CYS 50 HN CYS 50 -7.557 -3.697 5.575 386 HA CYS 50 HA CYS 50 -5.634 -2.477 7.332 387 1HB CYS 50 HB2 CYS 50 -7.791 -3.248 8.181 388 2HB CYS 50 HB1 CYS 50 -7.403 -4.909 7.728 389 NH1 ARG 51 NH2 ARG 51 -6.283 -12.703 5.812 390 NH2 ARG 51 NH1 ARG 51 -4.837 -13.325 7.433 391 H ARG 51 HN ARG 51 -5.912 -5.813 6.062 392 HA ARG 51 HA ARG 51 -3.535 -6.813 7.274 393 1HB ARG 51 HB2 ARG 51 -5.091 -7.583 4.807 394 2HB ARG 51 HB1 ARG 51 -3.589 -8.411 5.222 395 1HG ARG 51 HG2 ARG 51 -4.538 -8.859 7.503 396 2HG ARG 51 HG1 ARG 51 -6.069 -8.182 6.947 397 1HD ARG 51 HD2 ARG 51 -6.618 -10.141 5.995 398 2HD ARG 51 HD1 ARG 51 -5.152 -10.097 5.017 399 HE ARG 51 HE ARG 51 -4.277 -10.938 7.512 400 1HH1 ARG 51 HH21 ARG 51 -6.698 -12.001 5.236 401 2HH1 ARG 51 HH22 ARG 51 -6.569 -13.656 5.715 402 1HH2 ARG 51 HH11 ARG 51 -4.136 -13.094 8.109 403 2HH2 ARG 51 HH12 ARG 51 -5.134 -14.274 7.325 404 H ALA 52 HN ALA 52 -4.022 -5.558 3.956 405 HA ALA 52 HA ALA 52 -1.268 -5.623 3.228 406 1HB ALA 52 HB2 ALA 52 -3.731 -4.610 2.116 407 2HB ALA 52 HB1 ALA 52 -2.445 -3.420 1.910 408 3HB ALA 52 HB3 ALA 52 -2.243 -5.056 1.283 409 H ALA 53 HN ALA 53 -3.006 -3.496 5.349 410 HA ALA 53 HA ALA 53 -1.223 -1.228 5.098 411 1HB ALA 53 HB3 ALA 53 -3.552 -1.963 6.687 412 2HB ALA 53 HB2 ALA 53 -2.326 -1.163 7.671 413 3HB ALA 53 HB1 ALA 53 -2.969 -0.361 6.238 414 H THR 54 HN THR 54 -1.372 -4.102 7.164 415 HA THR 54 HA THR 54 0.780 -3.307 8.916 416 HB THR 54 HB THR 54 -0.788 -5.755 8.383 417 HG1 THR 54 HG1 THR 54 0.431 -4.947 10.784 418 1HG2 THR 54 HG21 THR 54 2.086 -5.874 9.321 419 2HG2 THR 54 HG23 THR 54 0.915 -7.152 9.648 420 3HG2 THR 54 HG22 THR 54 1.351 -6.761 7.985 421 H VAL 55 HN VAL 55 0.649 -5.430 6.047 422 HA VAL 55 HA VAL 55 3.421 -6.050 5.938 423 HB VAL 55 HB VAL 55 1.461 -5.709 3.642 424 1HG1 VAL 55 HG13 VAL 55 4.276 -6.647 3.851 425 2HG1 VAL 55 HG12 VAL 55 3.200 -7.623 2.851 426 3HG1 VAL 55 HG11 VAL 55 3.433 -5.914 2.486 427 1HG2 VAL 55 HG21 VAL 55 1.682 -7.654 5.773 428 2HG2 VAL 55 HG23 VAL 55 0.479 -7.557 4.488 429 3HG2 VAL 55 HG22 VAL 55 1.989 -8.428 4.219 430 H LEU 56 HN LEU 56 1.609 -3.252 4.783 431 HA LEU 56 HA LEU 56 3.777 -2.063 3.296 432 1HB LEU 56 HB2 LEU 56 1.057 -1.366 4.060 433 2HB LEU 56 HB1 LEU 56 2.139 0.019 4.204 434 HG LEU 56 HG LEU 56 3.007 -0.667 1.866 435 1HD1 LEU 56 HD12 LEU 56 1.866 -2.900 1.920 436 2HD1 LEU 56 HD11 LEU 56 0.314 -2.063 1.842 437 3HD1 LEU 56 HD13 LEU 56 1.451 -1.941 0.499 438 1HD2 LEU 56 HD22 LEU 56 0.220 0.429 2.340 439 2HD2 LEU 56 HD21 LEU 56 1.713 1.350 2.160 440 3HD2 LEU 56 HD23 LEU 56 1.035 0.492 0.777 441 NH1 ARG 57 NH2 ARG 57 0.370 -1.097 12.342 442 NH2 ARG 57 NH1 ARG 57 -0.961 -0.470 10.628 443 H ARG 57 HN ARG 57 2.747 -1.967 6.661 444 HA ARG 57 HA ARG 57 4.308 0.249 7.525 445 1HB ARG 57 HB2 ARG 57 2.598 -1.493 8.754 446 2HB ARG 57 HB1 ARG 57 4.150 -2.049 9.382 447 1HG ARG 57 HG2 ARG 57 4.656 0.064 10.325 448 2HG ARG 57 HG1 ARG 57 3.417 0.879 9.369 449 1HD ARG 57 HD2 ARG 57 2.793 -1.226 11.453 450 2HD ARG 57 HD1 ARG 57 2.787 0.506 11.788 451 HE ARG 57 HE ARG 57 1.136 0.251 9.580 452 1HH1 ARG 57 HH21 ARG 57 1.273 -1.182 12.758 453 2HH1 ARG 57 HH22 ARG 57 -0.436 -1.417 12.839 454 1HH2 ARG 57 HH11 ARG 57 -1.079 -0.069 9.719 455 2HH2 ARG 57 HH12 ARG 57 -1.759 -0.794 11.139 456 H GLN 58 HN GLN 58 5.095 -3.229 7.371 457 HA GLN 58 HA GLN 58 7.792 -2.953 8.307 458 1HB GLN 58 HB2 GLN 58 6.217 -5.031 6.866 459 2HB GLN 58 HB1 GLN 58 7.972 -5.128 6.717 460 1HG GLN 58 HG2 GLN 58 8.101 -4.941 9.239 461 2HG GLN 58 HG1 GLN 58 6.347 -5.131 9.272 462 1HE2 GLN 58 HE22 GLN 58 8.721 -8.365 8.543 463 2HE2 GLN 58 HE21 GLN 58 9.392 -6.811 8.665 464 H PHE 59 HN PHE 59 6.297 -2.564 5.149 465 HA PHE 59 HA PHE 59 8.631 -2.626 3.530 466 1HB PHE 59 HB2 PHE 59 6.326 -2.583 2.624 467 2HB PHE 59 HB1 PHE 59 6.147 -0.919 3.176 468 HD1 PHE 59 HD1 PHE 59 8.734 -2.918 1.322 469 HD2 PHE 59 HD2 PHE 59 6.412 0.690 1.522 470 HE1 PHE 59 HE1 PHE 59 9.812 -2.110 -0.759 471 HE2 PHE 59 HE2 PHE 59 7.491 1.499 -0.560 472 HZ PHE 59 HZ PHE 59 9.191 0.100 -1.699 473 OH TYR 60 OH TYR 60 5.648 4.129 10.043 474 H TYR 60 HN TYR 60 6.960 0.309 4.749 475 HA TYR 60 HA TYR 60 9.348 1.911 4.198 476 1HB TYR 60 HB2 TYR 60 7.960 3.710 4.376 477 2HB TYR 60 HB1 TYR 60 6.694 2.491 4.226 478 HD1 TYR 60 HD2 TYR 60 5.813 1.402 6.394 479 HD2 TYR 60 HD1 TYR 60 8.123 5.023 6.322 480 HE1 TYR 60 HE2 TYR 60 4.996 1.969 8.666 481 HE2 TYR 60 HE1 TYR 60 7.308 5.589 8.594 482 HH TYR 60 HH TYR 60 6.290 3.799 10.677 483 H SER 61 HN SER 61 8.661 -0.151 6.713 484 HA SER 61 HA SER 61 9.647 1.640 8.841 485 1HB SER 61 HB2 SER 61 8.580 -1.169 8.764 486 2HB SER 61 HB1 SER 61 9.468 -0.597 10.173 487 HG SER 61 HG SER 61 7.977 1.190 10.207 488 H HIS 62 HN HIS 62 10.645 -1.570 7.573 489 HA HIS 62 HA HIS 62 13.338 -1.127 8.693 490 1HB HIS 62 HB2 HIS 62 11.764 -3.429 7.748 491 2HB HIS 62 HB1 HIS 62 13.472 -3.500 7.317 492 HD1 HIS 62 HD1 HIS 62 15.204 -3.341 9.334 493 HD2 HIS 62 HD2 HIS 62 11.226 -3.853 10.469 494 HE1 HIS 62 HE1 HIS 62 15.237 -4.024 11.772 495 H HIS 63 HN HIS 63 11.774 -1.278 5.515 496 HA HIS 63 HA HIS 63 14.401 -1.053 4.182 497 1HB HIS 63 HB2 HIS 63 11.669 -0.985 2.887 498 2HB HIS 63 HB1 HIS 63 13.214 -1.339 2.119 499 HD1 HIS 63 HD1 HIS 63 14.370 -3.629 2.776 500 HD2 HIS 63 HD2 HIS 63 10.467 -3.181 4.168 501 HE1 HIS 63 HE1 HIS 63 13.596 -5.933 3.488 502 H GLU 64 HN GLU 64 13.098 1.196 5.877 503 HA GLU 64 HA GLU 64 12.750 3.270 3.801 504 1HB GLU 64 HB2 GLU 64 11.310 3.967 5.410 505 2HB GLU 64 HB1 GLU 64 12.105 3.009 6.660 506 1HG GLU 64 HG2 GLU 64 13.798 4.690 6.982 507 2HG GLU 64 HG1 GLU 64 13.259 5.588 5.561 508 H LYS 65 HN LYS 65 15.064 2.270 6.271 509 HA LYS 65 HA LYS 65 16.950 4.336 5.205 510 1HB LYS 65 HB2 LYS 65 16.095 4.004 7.840 511 2HB LYS 65 HB1 LYS 65 17.668 3.206 7.805 512 1HG LYS 65 HG2 LYS 65 17.536 5.815 6.403 513 2HG LYS 65 HG1 LYS 65 17.356 5.884 8.156 514 1HD LYS 65 HD2 LYS 65 19.441 4.617 8.442 515 2HD LYS 65 HD1 LYS 65 19.619 4.495 6.691 516 1HE LYS 65 HE2 LYS 65 19.550 7.053 6.651 517 2HE LYS 65 HE1 LYS 65 19.754 6.984 8.402 518 1HZ LYS 65 HZ2 LYS 65 21.577 5.399 6.758 519 2HZ LYS 65 HZ1 LYS 65 21.800 7.084 6.771 520 3HZ LYS 65 HZ3 LYS 65 21.864 6.211 8.224 521 H ASP 66 HN ASP 66 16.515 1.684 4.099 522 HA ASP 66 HA ASP 66 18.922 0.180 4.972 523 1HB ASP 66 HB2 ASP 66 16.378 -0.501 3.674 524 2HB ASP 66 HB1 ASP 66 17.774 -1.262 2.912 525 H THR 67 HN THR 67 20.563 -0.393 3.455 526 HA THR 67 HA THR 67 21.094 1.652 1.449 527 HB THR 67 HB THR 67 23.136 0.239 1.006 528 HG1 THR 67 HG1 THR 67 22.966 -1.746 1.623 529 1HG2 THR 67 HG21 THR 67 22.706 1.982 2.974 530 2HG2 THR 67 HG23 THR 67 22.924 0.543 3.969 531 3HG2 THR 67 HG22 THR 67 24.207 1.062 2.878 532 NH1 ARG 68 NH2 ARG 68 20.344 -7.024 -1.310 533 NH2 ARG 68 NH1 ARG 68 19.220 -8.353 0.130 534 H ARG 68 HN ARG 68 19.244 -1.195 1.378 535 HA ARG 68 HA ARG 68 19.911 -2.242 -1.194 536 1HB ARG 68 HB2 ARG 68 17.219 -2.242 0.207 537 2HB ARG 68 HB1 ARG 68 17.704 -3.313 -1.107 538 1HG ARG 68 HG2 ARG 68 19.278 -3.165 1.466 539 2HG ARG 68 HG1 ARG 68 17.897 -4.245 1.290 540 1HD ARG 68 HD2 ARG 68 19.434 -4.617 -1.037 541 2HD ARG 68 HD1 ARG 68 20.597 -4.559 0.287 542 HE ARG 68 HE ARG 68 18.601 -6.245 1.215 543 1HH1 ARG 68 HH21 ARG 68 20.631 -6.119 -1.620 544 2HH1 ARG 68 HH22 ARG 68 20.643 -7.836 -1.811 545 1HH2 ARG 68 HH11 ARG 68 18.637 -8.465 0.934 546 2HH2 ARG 68 HH12 ARG 68 19.527 -9.155 -0.382 547 H CYS 69 HN CYS 69 17.247 -0.023 -0.261 548 HA CYS 69 HA CYS 69 16.869 0.662 -3.111 549 1HB CYS 69 HB2 CYS 69 15.038 0.343 -1.203 550 2HB CYS 69 HB1 CYS 69 15.383 2.049 -0.917 551 H LEU 70 HN LEU 70 18.182 2.045 -0.164 552 HA LEU 70 HA LEU 70 18.332 4.769 -1.044 553 1HB LEU 70 HB2 LEU 70 18.680 4.426 1.267 554 2HB LEU 70 HB1 LEU 70 19.858 3.144 0.988 555 HG LEU 70 HG LEU 70 21.495 4.714 0.185 556 1HD1 LEU 70 HD11 LEU 70 19.096 6.444 -0.058 557 2HD1 LEU 70 HD13 LEU 70 20.578 7.256 0.450 558 3HD1 LEU 70 HD12 LEU 70 20.535 6.369 -1.075 559 1HD2 LEU 70 HD22 LEU 70 21.265 4.563 2.640 560 2HD2 LEU 70 HD21 LEU 70 21.752 6.186 2.152 561 3HD2 LEU 70 HD23 LEU 70 20.078 5.868 2.609 562 H GLY 71 HN GLY 71 20.944 2.320 -0.896 563 1HA GLY 71 HA2 GLY 71 22.505 1.872 -2.667 564 2HA GLY 71 HA1 GLY 71 21.993 3.361 -3.462 565 H ALA 72 HN ALA 72 23.768 4.660 -3.557 566 HA ALA 72 HA ALA 72 25.014 5.510 -1.039 567 1HB ALA 72 HB1 ALA 72 26.503 3.923 -3.136 568 2HB ALA 72 HB3 ALA 72 27.338 5.008 -2.023 569 3HB ALA 72 HB2 ALA 72 26.427 3.632 -1.398 570 H THR 73 HN THR 73 23.504 7.056 -2.710 571 HA THR 73 HA THR 73 25.538 8.936 -3.768 572 HB THR 73 HB THR 73 23.773 9.219 -5.754 573 HG1 THR 73 HG1 THR 73 23.685 6.440 -5.287 574 1HG2 THR 73 HG21 THR 73 26.277 7.863 -5.386 575 2HG2 THR 73 HG23 THR 73 25.297 6.953 -6.535 576 3HG2 THR 73 HG22 THR 73 25.658 8.652 -6.836 577 H ALA 74 HN ALA 74 24.387 11.076 -4.367 578 HA ALA 74 HA ALA 74 22.530 11.710 -2.165 579 1HB ALA 74 HB2 ALA 74 23.904 13.437 -4.244 580 2HB ALA 74 HB1 ALA 74 22.834 14.068 -2.993 581 3HB ALA 74 HB3 ALA 74 24.344 13.274 -2.545 582 H GLN 75 HN GLN 75 22.508 11.391 -5.666 583 HA GLN 75 HA GLN 75 19.987 12.686 -6.129 584 1HB GLN 75 HB2 GLN 75 21.934 11.580 -7.725 585 2HB GLN 75 HB1 GLN 75 20.623 10.410 -7.886 586 1HG GLN 75 HG2 GLN 75 19.289 12.819 -8.055 587 2HG GLN 75 HG1 GLN 75 20.802 13.161 -8.896 588 1HE2 GLN 75 HE22 GLN 75 20.142 10.869 -11.565 589 2HE2 GLN 75 HE21 GLN 75 21.377 11.685 -10.735 590 H GLN 76 HN GLN 76 20.764 9.190 -5.961 591 HA GLN 76 HA GLN 76 18.038 8.338 -5.906 592 1HB GLN 76 HB2 GLN 76 20.674 7.131 -5.530 593 2HB GLN 76 HB1 GLN 76 19.449 6.408 -4.487 594 1HG GLN 76 HG2 GLN 76 17.968 6.255 -6.565 595 2HG GLN 76 HG1 GLN 76 19.413 6.641 -7.500 596 1HE2 GLN 76 HE22 GLN 76 20.235 3.216 -7.531 597 2HE2 GLN 76 HE21 GLN 76 19.998 4.642 -8.420 598 H PHE 77 HN PHE 77 20.153 9.572 -3.402 599 HA PHE 77 HA PHE 77 18.688 8.545 -1.152 600 1HB PHE 77 HB2 PHE 77 20.955 9.417 -0.883 601 2HB PHE 77 HB1 PHE 77 20.426 11.019 -1.402 602 HD1 PHE 77 HD1 PHE 77 18.792 8.531 0.868 603 HD2 PHE 77 HD2 PHE 77 20.574 12.419 0.479 604 HE1 PHE 77 HE1 PHE 77 18.127 9.068 3.196 605 HE2 PHE 77 HE2 PHE 77 19.909 12.957 2.807 606 HZ PHE 77 HZ PHE 77 18.687 11.281 4.165 607 H HIS 78 HN HIS 78 18.356 11.468 -3.129 608 HA HIS 78 HA HIS 78 16.315 12.631 -1.408 609 1HB HIS 78 HB2 HIS 78 17.864 13.835 -3.117 610 2HB HIS 78 HB1 HIS 78 16.682 13.315 -4.319 611 HD1 HIS 78 HD1 HIS 78 14.546 14.642 -4.483 612 HD2 HIS 78 HD2 HIS 78 16.684 15.537 -1.019 613 HE1 HIS 78 HE1 HIS 78 13.363 16.601 -3.398 614 NH1 ARG 79 NH2 ARG 79 11.022 8.164 -8.998 615 NH2 ARG 79 NH1 ARG 79 10.148 7.846 -6.940 616 H ARG 79 HN ARG 79 16.327 10.705 -4.381 617 HA ARG 79 HA ARG 79 13.487 10.845 -4.830 618 1HB ARG 79 HB2 ARG 79 15.776 9.352 -5.912 619 2HB ARG 79 HB1 ARG 79 14.273 8.432 -5.918 620 1HG ARG 79 HG2 ARG 79 13.665 11.085 -6.781 621 2HG ARG 79 HG1 ARG 79 15.067 10.528 -7.694 622 1HD ARG 79 HD2 ARG 79 12.920 9.905 -8.791 623 2HD ARG 79 HD1 ARG 79 13.881 8.495 -8.347 624 HE ARG 79 HE ARG 79 12.227 8.892 -6.159 625 1HH1 ARG 79 HH21 ARG 79 11.756 8.487 -9.594 626 2HH1 ARG 79 HH22 ARG 79 10.205 7.750 -9.397 627 1HH2 ARG 79 HH11 ARG 79 10.214 7.926 -5.945 628 2HH2 ARG 79 HH12 ARG 79 9.337 7.435 -7.356 629 H HIS 80 HN HIS 80 15.466 8.937 -2.679 630 HA HIS 80 HA HIS 80 13.391 6.920 -2.224 631 1HB HIS 80 HB2 HIS 80 15.784 6.349 -2.002 632 2HB HIS 80 HB1 HIS 80 15.942 7.522 -0.694 633 HD1 HIS 80 HD1 HIS 80 13.294 4.840 -1.339 634 HD2 HIS 80 HD2 HIS 80 15.977 6.026 1.623 635 HE1 HIS 80 HE1 HIS 80 12.891 3.318 0.644 636 H LYS 81 HN LYS 81 14.667 9.774 -0.520 637 HA LYS 81 HA LYS 81 13.176 9.501 1.878 638 1HB LYS 81 HB2 LYS 81 15.010 11.256 1.127 639 2HB LYS 81 HB1 LYS 81 13.600 12.215 0.679 640 1HG LYS 81 HG2 LYS 81 12.717 11.626 3.052 641 2HG LYS 81 HG1 LYS 81 14.392 11.200 3.404 642 1HD LYS 81 HD2 LYS 81 13.806 13.835 2.093 643 2HD LYS 81 HD1 LYS 81 13.541 13.663 3.828 644 1HE LYS 81 HE2 LYS 81 15.757 13.657 4.269 645 2HE LYS 81 HE1 LYS 81 16.091 12.518 2.964 646 1HZ LYS 81 HZ3 LYS 81 15.747 14.461 1.421 647 2HZ LYS 81 HZ2 LYS 81 15.814 15.460 2.794 648 3HZ LYS 81 HZ1 LYS 81 17.154 14.505 2.367 649 H GLN 82 HN GLN 82 12.208 10.664 -1.300 650 HA GLN 82 HA GLN 82 9.709 11.833 -0.394 651 1HB GLN 82 HB2 GLN 82 11.142 11.563 -2.879 652 2HB GLN 82 HB1 GLN 82 9.471 11.049 -3.111 653 1HG GLN 82 HG2 GLN 82 8.608 13.134 -2.604 654 2HG GLN 82 HG1 GLN 82 9.959 13.550 -1.549 655 1HE2 GLN 82 HE22 GLN 82 10.210 15.396 -4.863 656 2HE2 GLN 82 HE21 GLN 82 8.938 15.227 -3.752 657 H LEU 83 HN LEU 83 10.711 8.651 -1.549 658 HA LEU 83 HA LEU 83 8.061 7.582 -1.882 659 1HB LEU 83 HB2 LEU 83 10.134 6.556 -2.838 660 2HB LEU 83 HB1 LEU 83 10.615 6.092 -1.206 661 HG LEU 83 HG LEU 83 7.864 5.315 -1.959 662 1HD1 LEU 83 HD13 LEU 83 10.222 4.564 -3.583 663 2HD1 LEU 83 HD12 LEU 83 9.211 3.218 -3.059 664 3HD1 LEU 83 HD11 LEU 83 8.510 4.531 -4.004 665 1HD2 LEU 83 HD23 LEU 83 10.199 4.271 -0.417 666 2HD2 LEU 83 HD22 LEU 83 8.499 4.356 0.044 667 3HD2 LEU 83 HD21 LEU 83 9.054 3.089 -1.050 668 H ILE 84 HN ILE 84 10.247 7.818 0.891 669 HA ILE 84 HA ILE 84 8.743 6.061 2.604 670 HB ILE 84 HB ILE 84 10.479 8.395 3.451 671 1HG1 ILE 84 HG12 ILE 84 11.800 7.078 1.937 672 2HG1 ILE 84 HG11 ILE 84 12.267 6.576 3.563 673 1HG2 ILE 84 HG21 ILE 84 8.938 7.008 5.071 674 2HG2 ILE 84 HG23 ILE 84 10.175 5.766 4.874 675 3HG2 ILE 84 HG22 ILE 84 10.608 7.344 5.532 676 1HD1 ILE 84 HD13 ILE 84 10.455 4.753 3.317 677 2HD1 ILE 84 HD12 ILE 84 10.494 5.130 1.596 678 3HD1 ILE 84 HD11 ILE 84 11.947 4.538 2.400 679 NH1 ARG 85 NH2 ARG 85 11.536 11.454 5.400 680 NH2 ARG 85 NH1 ARG 85 11.090 12.839 7.128 681 H ARG 85 HN ARG 85 8.738 9.621 2.249 682 HA ARG 85 HA ARG 85 6.800 10.155 4.247 683 1HB ARG 85 HB2 ARG 85 7.932 11.570 1.935 684 2HB ARG 85 HB1 ARG 85 6.281 12.054 2.319 685 1HG ARG 85 HG2 ARG 85 7.568 13.471 3.683 686 2HG ARG 85 HG1 ARG 85 7.135 12.160 4.780 687 1HD ARG 85 HD2 ARG 85 9.326 11.045 4.126 688 2HD ARG 85 HD1 ARG 85 9.759 12.554 3.323 689 HE ARG 85 HE ARG 85 9.036 13.338 5.882 690 1HH1 ARG 85 HH21 ARG 85 11.290 11.048 4.522 691 2HH1 ARG 85 HH22 ARG 85 12.395 11.196 5.842 692 1HH2 ARG 85 HH11 ARG 85 10.493 13.503 7.579 693 2HH2 ARG 85 HH12 ARG 85 11.952 12.570 7.557 694 H PHE 86 HN PHE 86 6.394 9.263 0.835 695 HA PHE 86 HA PHE 86 3.527 9.586 0.813 696 1HB PHE 86 HB2 PHE 86 5.571 8.773 -1.023 697 2HB PHE 86 HB1 PHE 86 4.294 7.557 -1.036 698 HD1 PHE 86 HD2 PHE 86 1.863 8.370 -1.258 699 HD2 PHE 86 HD1 PHE 86 5.269 10.836 -2.129 700 HE1 PHE 86 HE2 PHE 86 0.424 9.888 -2.589 701 HE2 PHE 86 HE1 PHE 86 3.829 12.356 -3.460 702 HZ PHE 86 HZ PHE 86 1.406 11.881 -3.690 703 H LEU 87 HN LEU 87 5.664 6.965 1.778 704 HA LEU 87 HA LEU 87 3.633 4.909 1.836 705 1HB LEU 87 HB2 LEU 87 6.421 5.074 2.315 706 2HB LEU 87 HB1 LEU 87 5.697 4.457 3.800 707 HG LEU 87 HG LEU 87 6.221 2.588 2.311 708 1HD1 LEU 87 HD11 LEU 87 3.953 2.848 3.649 709 2HD1 LEU 87 HD13 LEU 87 3.250 2.894 2.031 710 3HD1 LEU 87 HD12 LEU 87 4.184 1.490 2.548 711 1HD2 LEU 87 HD21 LEU 87 5.140 4.440 0.336 712 2HD2 LEU 87 HD23 LEU 87 6.160 3.021 0.095 713 3HD2 LEU 87 HD22 LEU 87 4.408 2.841 0.202 714 H LYS 88 HN LYS 88 4.801 7.277 4.191 715 HA LYS 88 HA LYS 88 3.372 6.173 6.436 716 1HB LYS 88 HB2 LYS 88 4.304 9.016 5.925 717 2HB LYS 88 HB1 LYS 88 3.785 8.375 7.485 718 1HG LYS 88 HG2 LYS 88 5.598 6.540 7.049 719 2HG LYS 88 HG1 LYS 88 6.252 7.706 5.899 720 1HD LYS 88 HD2 LYS 88 5.984 9.392 7.911 721 2HD LYS 88 HD1 LYS 88 6.012 7.922 8.883 722 1HE LYS 88 HE2 LYS 88 8.279 8.309 8.789 723 2HE LYS 88 HE1 LYS 88 8.108 7.390 7.294 724 1HZ LYS 88 HZ3 LYS 88 7.530 9.851 6.452 725 2HZ LYS 88 HZ2 LYS 88 8.642 10.212 7.686 726 3HZ LYS 88 HZ1 LYS 88 9.090 9.185 6.407 727 NH1 ARG 89 NH2 ARG 89 2.472 14.557 4.090 728 NH2 ARG 89 NH1 ARG 89 1.988 15.198 1.978 729 H ARG 89 HN ARG 89 2.588 8.660 4.016 730 HA ARG 89 HA ARG 89 0.103 9.479 5.144 731 1HB ARG 89 HB2 ARG 89 1.569 10.014 2.792 732 2HB ARG 89 HB1 ARG 89 -0.012 9.445 2.258 733 1HG ARG 89 HG2 ARG 89 -0.629 11.614 2.604 734 2HG ARG 89 HG1 ARG 89 -0.744 11.103 4.289 735 1HD ARG 89 HD2 ARG 89 0.779 12.704 4.748 736 2HD ARG 89 HD1 ARG 89 1.962 11.668 3.953 737 HE ARG 89 HE ARG 89 0.766 13.072 1.873 738 1HH1 ARG 89 HH21 ARG 89 2.405 13.901 4.839 739 2HH1 ARG 89 HH22 ARG 89 2.993 15.401 4.215 740 1HH2 ARG 89 HH11 ARG 89 1.543 15.030 1.099 741 2HH2 ARG 89 HH12 ARG 89 2.514 16.038 2.120 742 H LEU 90 HN LEU 90 0.840 6.948 2.750 743 HA LEU 90 HA LEU 90 -1.912 6.050 2.566 744 1HB LEU 90 HB2 LEU 90 -0.178 5.716 0.778 745 2HB LEU 90 HB1 LEU 90 0.611 4.541 1.829 746 HG LEU 90 HG LEU 90 -1.477 3.208 1.884 747 1HD1 LEU 90 HD12 LEU 90 -2.490 5.629 0.591 748 2HD1 LEU 90 HD11 LEU 90 -2.938 4.161 -0.277 749 3HD1 LEU 90 HD13 LEU 90 -3.374 4.349 1.420 750 1HD2 LEU 90 HD22 LEU 90 0.351 2.988 0.072 751 2HD2 LEU 90 HD21 LEU 90 -1.214 2.248 -0.265 752 3HD2 LEU 90 HD23 LEU 90 -0.797 3.796 -0.997 753 H ASP 91 HN ASP 91 0.553 5.561 4.913 754 HA ASP 91 HA ASP 91 -0.184 2.886 5.712 755 1HB ASP 91 HB2 ASP 91 1.395 5.123 6.944 756 2HB ASP 91 HB1 ASP 91 0.953 3.726 7.924 757 NH1 ARG 92 NH2 ARG 92 -2.113 7.266 14.126 758 NH2 ARG 92 NH1 ARG 92 -4.075 8.258 14.647 759 H ARG 92 HN ARG 92 -1.090 6.130 6.927 760 HA ARG 92 HA ARG 92 -2.987 4.882 8.815 761 1HB ARG 92 HB2 ARG 92 -1.531 6.956 9.307 762 2HB ARG 92 HB1 ARG 92 -2.690 7.841 8.315 763 1HG ARG 92 HG2 ARG 92 -4.187 7.883 9.996 764 2HG ARG 92 HG1 ARG 92 -4.079 6.133 10.192 765 1HD ARG 92 HD2 ARG 92 -2.321 6.290 11.748 766 2HD ARG 92 HD1 ARG 92 -1.906 7.931 11.251 767 HE ARG 92 HE ARG 92 -4.482 8.175 12.230 768 1HH1 ARG 92 HH21 ARG 92 -1.477 6.889 13.455 769 2HH1 ARG 92 HH22 ARG 92 -1.870 7.260 15.096 770 1HH2 ARG 92 HH11 ARG 92 -4.954 8.644 14.369 771 2HH2 ARG 92 HH12 ARG 92 -3.818 8.243 15.613 772 H ASN 93 HN ASN 93 -3.055 6.559 5.722 773 HA ASN 93 HA ASN 93 -5.952 6.989 5.825 774 1HB ASN 93 HB2 ASN 93 -4.090 7.139 3.438 775 2HB ASN 93 HB1 ASN 93 -5.714 7.816 3.552 776 1HD2 ASN 93 HD22 ASN 93 -4.383 10.155 6.211 777 2HD2 ASN 93 HD21 ASN 93 -5.489 8.868 6.257 778 H LEU 94 HN LEU 94 -3.801 4.475 4.686 779 HA LEU 94 HA LEU 94 -5.614 3.219 2.856 780 1HB LEU 94 HB2 LEU 94 -3.277 2.593 2.836 781 2HB LEU 94 HB1 LEU 94 -3.359 2.063 4.516 782 HG LEU 94 HG LEU 94 -4.848 0.255 3.952 783 1HD1 LEU 94 HD12 LEU 94 -5.163 1.844 1.469 784 2HD1 LEU 94 HD11 LEU 94 -5.158 0.093 1.260 785 3HD1 LEU 94 HD13 LEU 94 -6.340 0.849 2.327 786 1HD2 LEU 94 HD21 LEU 94 -2.241 0.542 2.833 787 2HD2 LEU 94 HD23 LEU 94 -3.065 -0.948 3.291 788 3HD2 LEU 94 HD22 LEU 94 -3.234 -0.315 1.653 789 CH2 TRP 95 CH2 TRP 95 -6.615 2.623 12.666 790 H TRP 95 HN TRP 95 -4.769 2.105 6.167 791 HA TRP 95 HA TRP 95 -7.299 0.609 6.262 792 1HB TRP 95 HB2 TRP 95 -6.465 -0.428 8.179 793 2HB TRP 95 HB1 TRP 95 -5.007 -0.114 7.240 794 HD1 TRP 95 HD1 TRP 95 -3.307 1.569 8.145 795 HE1 TRP 95 HE1 TRP 95 -3.058 2.859 10.368 796 HE3 TRP 95 HE3 TRP 95 -7.919 0.740 10.139 797 HZ2 TRP 95 HZ2 TRP 95 -4.627 3.451 12.691 798 HZ3 TRP 95 HZ3 TRP 95 -8.522 1.673 12.354 799 HH2 TRP 95 HH2 TRP 95 -6.885 3.026 13.632 800 H GLY 96 HN GLY 96 -6.176 3.715 7.210 801 1HA GLY 96 HA2 GLY 96 -7.702 4.263 9.517 802 2HA GLY 96 HA1 GLY 96 -7.326 5.473 8.287 803 H LEU 97 HN LEU 97 -8.663 3.993 6.147 804 HA LEU 97 HA LEU 97 -11.399 4.926 6.627 805 1HB LEU 97 HB2 LEU 97 -9.823 4.691 4.382 806 2HB LEU 97 HB1 LEU 97 -10.872 3.283 4.232 807 HG LEU 97 HG LEU 97 -12.246 5.776 5.028 808 1HD1 LEU 97 HD13 LEU 97 -10.395 6.349 3.261 809 2HD1 LEU 97 HD12 LEU 97 -11.458 5.504 2.139 810 3HD1 LEU 97 HD11 LEU 97 -12.040 6.928 2.998 811 1HD2 LEU 97 HD22 LEU 97 -12.686 3.333 3.386 812 2HD2 LEU 97 HD21 LEU 97 -13.777 4.141 4.510 813 3HD2 LEU 97 HD23 LEU 97 -13.557 4.780 2.882 814 H ALA 98 HN ALA 98 -9.644 1.887 6.414 815 HA ALA 98 HA ALA 98 -11.714 0.015 6.221 816 1HB ALA 98 HB2 ALA 98 -8.960 0.053 7.170 817 2HB ALA 98 HB1 ALA 98 -9.948 -1.054 8.116 818 3HB ALA 98 HB3 ALA 98 -9.837 -1.245 6.368 819 H GLY 99 HN GLY 99 -10.309 1.288 9.248 820 1HA GLY 99 HA2 GLY 99 -11.634 2.007 11.144 821 2HA GLY 99 HA1 GLY 99 -12.997 1.091 10.498 822 H LEU 100 HN LEU 100 -9.757 -0.250 10.695 823 HA LEU 100 HA LEU 100 -10.546 -1.839 13.084 824 1HB LEU 100 HB2 LEU 100 -10.745 -2.877 10.526 825 2HB LEU 100 HB1 LEU 100 -9.152 -3.425 11.050 826 HG LEU 100 HG LEU 100 -10.291 -4.153 13.230 827 1HD1 LEU 100 HD11 LEU 100 -12.443 -2.804 12.149 828 2HD1 LEU 100 HD13 LEU 100 -12.836 -4.486 11.796 829 3HD1 LEU 100 HD12 LEU 100 -12.540 -3.980 13.459 830 1HD2 LEU 100 HD21 LEU 100 -9.746 -5.494 10.943 831 2HD2 LEU 100 HD23 LEU 100 -10.469 -6.265 12.355 832 3HD2 LEU 100 HD22 LEU 100 -11.491 -5.736 11.019 833 H ASN 101 HN ASN 101 -8.761 -2.488 14.347 834 HA ASN 101 HA ASN 101 -6.167 -1.260 13.523 835 1HB ASN 101 HB2 ASN 101 -7.633 -1.338 16.006 836 2HB ASN 101 HB1 ASN 101 -6.049 -2.083 16.226 837 1HD2 ASN 101 HD22 ASN 101 -4.596 1.111 16.473 838 2HD2 ASN 101 HD21 ASN 101 -4.725 -0.463 17.094 839 H SER 102 HN SER 102 -7.048 -3.982 15.670 840 HA SER 102 HA SER 102 -4.687 -5.467 15.233 841 1HB SER 102 HB2 SER 102 -7.255 -5.899 16.485 842 2HB SER 102 HB1 SER 102 -6.758 -7.346 15.612 843 HG SER 102 HG SER 102 -5.533 -6.010 17.752 844 H CYS 103 HN CYS 103 -4.169 -7.161 13.787 845 HA CYS 103 HA CYS 103 -6.053 -8.082 11.775 846 1HB CYS 103 HB2 CYS 103 -4.322 -5.778 11.211 847 2HB CYS 103 HB1 CYS 103 -4.142 -7.089 10.045 848 HA PRO 104 HA PRO 104 -2.541 -10.861 12.976 849 1HB PRO 104 HB2 PRO 104 -4.439 -13.005 12.559 850 2HB PRO 104 HB1 PRO 104 -3.673 -12.494 14.070 851 1HG PRO 104 HG2 PRO 104 -6.407 -12.092 13.282 852 2HG PRO 104 HG1 PRO 104 -5.618 -11.528 14.760 853 1HD PRO 104 HD2 PRO 104 -6.455 -9.952 12.493 854 2HD PRO 104 HD1 PRO 104 -5.668 -9.389 13.982 855 H VAL 105 HN VAL 105 -1.547 -10.378 10.906 856 HA VAL 105 HA VAL 105 -2.637 -11.664 8.488 857 HB VAL 105 HB VAL 105 -0.622 -10.659 7.387 858 1HG1 VAL 105 HG11 VAL 105 -2.610 -9.098 8.978 859 2HG1 VAL 105 HG13 VAL 105 -1.292 -8.208 8.213 860 3HG1 VAL 105 HG12 VAL 105 -2.386 -9.182 7.230 861 1HG2 VAL 105 HG22 VAL 105 0.451 -10.701 9.931 862 2HG2 VAL 105 HG21 VAL 105 1.105 -9.784 8.575 863 3HG2 VAL 105 HG23 VAL 105 0.027 -9.002 9.732 864 H LYS 106 HN LYS 106 -1.723 -13.493 7.482 865 HA LYS 106 HA LYS 106 0.807 -14.615 8.367 866 1HB LYS 106 HB2 LYS 106 -1.275 -15.209 10.045 867 2HB LYS 106 HB1 LYS 106 -1.330 -16.569 8.922 868 1HG LYS 106 HG2 LYS 106 0.850 -17.261 9.447 869 2HG LYS 106 HG1 LYS 106 1.295 -15.681 10.095 870 1HD LYS 106 HD2 LYS 106 0.328 -16.089 12.136 871 2HD LYS 106 HD1 LYS 106 -0.947 -17.094 11.449 872 1HE LYS 106 HE2 LYS 106 1.120 -18.689 10.895 873 2HE LYS 106 HE1 LYS 106 1.821 -17.846 12.276 874 1HZ LYS 106 HZ1 LYS 106 -0.853 -19.130 12.308 875 2HZ LYS 106 HZ3 LYS 106 0.563 -19.890 12.850 876 3HZ LYS 106 HZ2 LYS 106 -0.002 -18.492 13.632 877 H GLU 107 HN GLU 107 -2.263 -16.047 7.198 878 HA GLU 107 HA GLU 107 -1.119 -17.785 5.309 879 1HB GLU 107 HB2 GLU 107 -3.579 -17.596 6.056 880 2HB GLU 107 HB1 GLU 107 -3.732 -16.349 4.819 881 1HG GLU 107 HG2 GLU 107 -4.312 -18.231 3.592 882 2HG GLU 107 HG1 GLU 107 -2.576 -18.175 3.290 883 H ALA 108 HN ALA 108 0.491 -16.958 3.985 884 HA ALA 108 HA ALA 108 -0.283 -15.452 1.664 885 1HB ALA 108 HB2 ALA 108 0.524 -13.922 4.002 886 2HB ALA 108 HB1 ALA 108 1.620 -13.645 2.650 887 3HB ALA 108 HB3 ALA 108 -0.107 -13.347 2.459 888 H ASP 109 HN ASP 109 1.201 -15.907 0.081 889 HA ASP 109 HA ASP 109 3.667 -17.331 0.891 890 1HB ASP 109 HB2 ASP 109 1.931 -17.867 -1.097 891 2HB ASP 109 HB1 ASP 109 3.044 -16.822 -1.980 892 H GLN 110 HN GLN 110 5.763 -16.669 -0.056 893 HA GLN 110 HA GLN 110 6.181 -13.825 0.171 894 1HB GLN 110 HB2 GLN 110 7.810 -16.135 0.116 895 2HB GLN 110 HB1 GLN 110 8.345 -15.126 -1.229 896 1HG GLN 110 HG2 GLN 110 9.596 -14.381 0.660 897 2HG GLN 110 HG1 GLN 110 8.332 -13.171 0.424 898 1HE2 GLN 110 HE22 GLN 110 8.228 -15.581 3.734 899 2HE2 GLN 110 HE21 GLN 110 9.279 -15.948 2.452 900 H SER 111 HN SER 111 4.863 -12.823 -1.426 901 HA SER 111 HA SER 111 5.471 -13.466 -4.263 902 1HB SER 111 HB2 SER 111 3.539 -12.007 -4.767 903 2HB SER 111 HB1 SER 111 3.094 -13.278 -3.633 904 HG SER 111 HG SER 111 3.194 -11.808 -1.974 905 H THR 112 HN THR 112 6.694 -12.094 -5.503 906 HA THR 112 HA THR 112 8.381 -10.152 -4.381 907 HB THR 112 HB THR 112 8.715 -9.335 -6.712 908 HG1 THR 112 HG1 THR 112 7.292 -9.770 -8.196 909 1HG2 THR 112 HG23 THR 112 9.407 -11.742 -5.655 910 2HG2 THR 112 HG22 THR 112 8.526 -12.263 -7.092 911 3HG2 THR 112 HG21 THR 112 9.919 -11.193 -7.249 912 H LEU 113 HN LEU 113 8.279 -7.902 -4.179 913 HA LEU 113 HA LEU 113 5.763 -6.748 -3.559 914 1HB LEU 113 HB2 LEU 113 8.425 -6.002 -3.293 915 2HB LEU 113 HB1 LEU 113 7.758 -4.783 -4.380 916 HG LEU 113 HG LEU 113 6.258 -5.583 -1.898 917 1HD1 LEU 113 HD13 LEU 113 8.669 -3.800 -2.139 918 2HD1 LEU 113 HD12 LEU 113 7.416 -3.434 -0.952 919 3HD1 LEU 113 HD11 LEU 113 8.277 -4.972 -0.880 920 1HD2 LEU 113 HD23 LEU 113 6.086 -3.571 -4.014 921 2HD2 LEU 113 HD22 LEU 113 4.856 -4.091 -2.864 922 3HD2 LEU 113 HD21 LEU 113 6.027 -2.854 -2.404 923 H GLU 114 HN GLU 114 7.338 -7.117 -6.638 924 HA GLU 114 HA GLU 114 6.158 -4.923 -8.024 925 1HB GLU 114 HB2 GLU 114 7.748 -7.157 -8.692 926 2HB GLU 114 HB1 GLU 114 6.304 -7.272 -9.698 927 1HG GLU 114 HG2 GLU 114 6.652 -4.796 -10.235 928 2HG GLU 114 HG1 GLU 114 8.247 -4.965 -9.500 929 H ASN 115 HN ASN 115 5.099 -8.331 -8.073 930 HA ASN 115 HA ASN 115 2.540 -7.750 -9.224 931 1HB ASN 115 HB2 ASN 115 3.984 -10.049 -8.576 932 2HB ASN 115 HB1 ASN 115 2.564 -10.128 -7.533 933 1HD2 ASN 115 HD22 ASN 115 2.075 -10.334 -11.604 934 2HD2 ASN 115 HD21 ASN 115 3.529 -9.733 -10.966 935 H PHE 116 HN PHE 116 3.725 -7.494 -5.963 936 HA PHE 116 HA PHE 116 1.222 -7.786 -4.586 937 1HB PHE 116 HB2 PHE 116 3.429 -7.820 -3.445 938 2HB PHE 116 HB1 PHE 116 3.633 -6.109 -3.819 939 HD1 PHE 116 HD1 PHE 116 1.166 -8.450 -2.230 940 HD2 PHE 116 HD2 PHE 116 2.895 -4.517 -2.277 941 HE1 PHE 116 HE1 PHE 116 -0.148 -7.847 -0.215 942 HE2 PHE 116 HE2 PHE 116 1.583 -3.916 -0.262 943 HZ PHE 116 HZ PHE 116 0.062 -5.582 0.771 944 H LEU 117 HN LEU 117 3.010 -4.743 -5.208 945 HA LEU 117 HA LEU 117 0.864 -2.993 -4.673 946 1HB LEU 117 HB2 LEU 117 3.092 -2.639 -6.707 947 2HB LEU 117 HB1 LEU 117 2.084 -1.345 -6.061 948 HG LEU 117 HG LEU 117 3.938 -3.127 -4.447 949 1HD1 LEU 117 HD11 LEU 117 4.116 -0.333 -5.540 950 2HD1 LEU 117 HD13 LEU 117 4.925 -0.723 -4.023 951 3HD1 LEU 117 HD12 LEU 117 5.351 -1.591 -5.498 952 1HD2 LEU 117 HD22 LEU 117 2.005 -0.924 -3.693 953 2HD2 LEU 117 HD21 LEU 117 2.082 -2.564 -3.051 954 3HD2 LEU 117 HD23 LEU 117 3.342 -1.398 -2.645 955 H GLU 118 HN GLU 118 1.621 -4.869 -7.544 956 HA GLU 118 HA GLU 118 -0.060 -3.609 -9.434 957 1HB GLU 118 HB2 GLU 118 1.542 -5.462 -9.926 958 2HB GLU 118 HB1 GLU 118 0.440 -6.584 -9.128 959 1HG GLU 118 HG2 GLU 118 -0.923 -6.675 -10.924 960 2HG GLU 118 HG1 GLU 118 -0.912 -4.920 -11.113 961 NH1 ARG 119 NH2 ARG 119 -5.534 -9.114 -9.824 962 NH2 ARG 119 NH1 ARG 119 -6.791 -9.651 -8.024 963 H ARG 119 HN ARG 119 -0.846 -6.362 -7.302 964 HA ARG 119 HA ARG 119 -3.629 -6.425 -7.971 965 1HB ARG 119 HB2 ARG 119 -2.255 -7.352 -5.432 966 2HB ARG 119 HB1 ARG 119 -3.867 -7.827 -5.965 967 1HG ARG 119 HG2 ARG 119 -1.326 -8.312 -7.548 968 2HG ARG 119 HG1 ARG 119 -2.123 -9.522 -6.543 969 1HD ARG 119 HD2 ARG 119 -3.303 -8.127 -8.962 970 2HD ARG 119 HD1 ARG 119 -2.838 -9.823 -8.851 971 HE ARG 119 HE ARG 119 -4.671 -9.501 -6.800 972 1HH1 ARG 119 HH21 ARG 119 -4.653 -8.888 -10.236 973 2HH1 ARG 119 HH22 ARG 119 -6.353 -9.155 -10.395 974 1HH2 ARG 119 HH11 ARG 119 -6.872 -9.839 -7.045 975 2HH2 ARG 119 HH12 ARG 119 -7.601 -9.687 -8.609 976 H LEU 120 HN LEU 120 -1.800 -4.345 -5.848 977 HA LEU 120 HA LEU 120 -3.974 -3.590 -4.115 978 1HB LEU 120 HB2 LEU 120 -1.231 -2.825 -4.520 979 2HB LEU 120 HB1 LEU 120 -2.230 -1.374 -4.431 980 HG LEU 120 HG LEU 120 -2.305 -3.644 -2.420 981 1HD1 LEU 120 HD13 LEU 120 -0.178 -2.247 -2.469 982 2HD1 LEU 120 HD12 LEU 120 -1.181 -0.856 -2.057 983 3HD1 LEU 120 HD11 LEU 120 -1.063 -2.217 -0.943 984 1HD2 LEU 120 HD22 LEU 120 -4.152 -1.583 -3.021 985 2HD2 LEU 120 HD21 LEU 120 -4.163 -2.649 -1.617 986 3HD2 LEU 120 HD23 LEU 120 -3.337 -1.093 -1.537 987 H LYS 121 HN LYS 121 -2.615 -2.023 -7.036 988 HA LYS 121 HA LYS 121 -4.525 0.095 -7.180 989 1HB LYS 121 HB2 LYS 121 -2.300 -0.519 -8.585 990 2HB LYS 121 HB1 LYS 121 -3.525 -1.083 -9.722 991 1HG LYS 121 HG2 LYS 121 -4.648 1.256 -9.153 992 2HG LYS 121 HG1 LYS 121 -2.990 1.695 -8.737 993 1HD LYS 121 HD2 LYS 121 -3.207 2.239 -11.043 994 2HD LYS 121 HD1 LYS 121 -2.327 0.711 -11.015 995 1HE LYS 121 HE2 LYS 121 -4.597 -0.441 -11.260 996 2HE LYS 121 HE1 LYS 121 -5.257 1.152 -11.626 997 1HZ LYS 121 HZ2 LYS 121 -2.965 -0.056 -13.072 998 2HZ LYS 121 HZ1 LYS 121 -4.575 -0.160 -13.604 999 3HZ LYS 121 HZ3 LYS 121 -3.817 1.353 -13.489 1000 H THR 122 HN THR 122 -4.427 -3.044 -8.804 1001 HA THR 122 HA THR 122 -6.781 -2.906 -10.303 1002 HB THR 122 HB THR 122 -6.674 -5.528 -9.173 1003 HG1 THR 122 HG1 THR 122 -4.395 -5.861 -9.778 1004 1HG2 THR 122 HG22 THR 122 -6.299 -4.156 -11.737 1005 2HG2 THR 122 HG21 THR 122 -5.334 -5.624 -11.583 1006 3HG2 THR 122 HG23 THR 122 -7.084 -5.696 -11.390 1007 H ILE 123 HN ILE 123 -6.457 -3.861 -6.902 1008 HA ILE 123 HA ILE 123 -9.252 -4.412 -6.505 1009 HB ILE 123 HB ILE 123 -7.030 -3.677 -4.588 1010 1HG1 ILE 123 HG12 ILE 123 -6.809 -5.874 -5.667 1011 2HG1 ILE 123 HG11 ILE 123 -7.217 -6.072 -3.965 1012 1HG2 ILE 123 HG22 ILE 123 -9.941 -3.919 -4.173 1013 2HG2 ILE 123 HG21 ILE 123 -8.960 -4.870 -3.058 1014 3HG2 ILE 123 HG23 ILE 123 -8.722 -3.127 -3.176 1015 1HD1 ILE 123 HD13 ILE 123 -9.708 -6.029 -4.968 1016 2HD1 ILE 123 HD12 ILE 123 -8.860 -6.643 -6.384 1017 3HD1 ILE 123 HD11 ILE 123 -8.770 -7.516 -4.856 1018 H MET 124 HN MET 124 -7.303 -1.486 -6.241 1019 HA MET 124 HA MET 124 -9.318 0.109 -4.944 1020 1HB MET 124 HB2 MET 124 -6.938 0.894 -6.639 1021 2HB MET 124 HB1 MET 124 -7.942 2.041 -5.750 1022 1HG MET 124 HG2 MET 124 -6.867 -0.305 -4.253 1023 2HG MET 124 HG1 MET 124 -5.746 0.985 -4.667 1024 1HE MET 124 HE1 MET 124 -5.226 2.554 -3.619 1025 2HE MET 124 HE3 MET 124 -6.311 3.858 -3.128 1026 3HE MET 124 HE2 MET 124 -5.645 2.765 -1.923 1027 NH1 ARG 125 NH2 ARG 125 -5.079 4.614 -9.828 1028 NH2 ARG 125 NH1 ARG 125 -5.556 6.217 -11.347 1029 H ARG 125 HN ARG 125 -8.137 0.692 -8.254 1030 HA ARG 125 HA ARG 125 -10.385 2.144 -9.100 1031 1HB ARG 125 HB2 ARG 125 -8.105 0.835 -10.381 1032 2HB ARG 125 HB1 ARG 125 -9.530 0.896 -11.416 1033 1HG ARG 125 HG2 ARG 125 -8.962 3.027 -11.886 1034 2HG ARG 125 HG1 ARG 125 -9.431 3.430 -10.234 1035 1HD ARG 125 HD2 ARG 125 -7.211 3.226 -9.434 1036 2HD ARG 125 HD1 ARG 125 -6.682 2.366 -10.880 1037 HE ARG 125 HE ARG 125 -7.513 4.824 -11.842 1038 1HH1 ARG 125 HH21 ARG 125 -5.293 3.754 -9.372 1039 2HH1 ARG 125 HH22 ARG 125 -4.260 5.123 -9.565 1040 1HH2 ARG 125 HH11 ARG 125 -6.147 6.585 -12.064 1041 2HH2 ARG 125 HH12 ARG 125 -4.732 6.713 -11.074 1042 H GLU 126 HN GLU 126 -9.910 -1.370 -9.286 1043 HA GLU 126 HA GLU 126 -12.273 -1.823 -10.875 1044 1HB GLU 126 HB2 GLU 126 -10.233 -3.372 -10.489 1045 2HB GLU 126 HB1 GLU 126 -11.087 -3.883 -9.033 1046 1HG GLU 126 HG2 GLU 126 -13.105 -4.016 -10.847 1047 2HG GLU 126 HG1 GLU 126 -11.728 -4.401 -11.878 1048 H LYS 127 HN LYS 127 -11.703 -2.443 -7.383 1049 HA LYS 127 HA LYS 127 -14.542 -2.995 -6.981 1050 1HB LYS 127 HB2 LYS 127 -12.274 -3.739 -5.662 1051 2HB LYS 127 HB1 LYS 127 -12.884 -2.469 -4.600 1052 1HG LYS 127 HG2 LYS 127 -13.931 -4.463 -3.835 1053 2HG LYS 127 HG1 LYS 127 -15.165 -3.637 -4.787 1054 1HD LYS 127 HD2 LYS 127 -13.575 -5.276 -6.532 1055 2HD LYS 127 HD1 LYS 127 -14.146 -6.254 -5.181 1056 1HE LYS 127 HE2 LYS 127 -16.441 -5.082 -5.643 1057 2HE LYS 127 HE1 LYS 127 -15.746 -4.745 -7.229 1058 1HZ LYS 127 HZ2 LYS 127 -15.333 -7.449 -6.366 1059 2HZ LYS 127 HZ1 LYS 127 -16.978 -7.048 -6.504 1060 3HZ LYS 127 HZ3 LYS 127 -15.947 -6.861 -7.837 1061 OH TYR 128 OH TYR 128 -9.816 1.767 -1.461 1062 H TYR 128 HN TYR 128 -12.920 -0.073 -7.289 1063 HA TYR 128 HA TYR 128 -14.519 1.291 -5.210 1064 1HB TYR 128 HB2 TYR 128 -12.316 2.157 -7.069 1065 2HB TYR 128 HB1 TYR 128 -13.316 3.349 -6.252 1066 HD1 TYR 128 HD1 TYR 128 -12.287 0.024 -4.854 1067 HD2 TYR 128 HD2 TYR 128 -11.749 4.285 -4.729 1068 HE1 TYR 128 HE1 TYR 128 -10.932 -0.212 -2.807 1069 HE2 TYR 128 HE2 TYR 128 -10.378 4.039 -2.679 1070 HH TYR 128 HH TYR 128 -10.079 2.461 -0.852 1071 H SER 129 HN SER 129 -15.555 0.048 -7.901 1072 HA SER 129 HA SER 129 -16.651 2.449 -9.205 1073 1HB SER 129 HB2 SER 129 -15.874 0.182 -10.308 1074 2HB SER 129 HB1 SER 129 -17.505 -0.339 -9.893 1075 HG SER 129 HG SER 129 -18.316 1.052 -11.291 1076 H LYS 130 HN LYS 130 -17.509 0.771 -6.464 1077 HA LYS 130 HA LYS 130 -20.409 0.744 -6.991 1078 1HB LYS 130 HB2 LYS 130 -18.625 -0.508 -5.108 1079 2HB LYS 130 HB1 LYS 130 -19.885 0.361 -4.232 1080 1HG LYS 130 HG2 LYS 130 -21.541 -1.017 -4.982 1081 2HG LYS 130 HG1 LYS 130 -20.819 -1.175 -6.583 1082 1HD LYS 130 HD2 LYS 130 -19.003 -2.442 -4.867 1083 2HD LYS 130 HD1 LYS 130 -20.591 -2.942 -4.285 1084 1HE LYS 130 HE2 LYS 130 -19.886 -3.013 -7.220 1085 2HE LYS 130 HE1 LYS 130 -19.537 -4.370 -6.148 1086 1HZ LYS 130 HZ1 LYS 130 -22.201 -3.343 -5.858 1087 2HZ LYS 130 HZ3 LYS 130 -21.890 -3.932 -7.417 1088 3HZ LYS 130 HZ2 LYS 130 -21.673 -4.944 -6.069 1089 H CYS 131 HN CYS 131 -18.003 2.741 -5.402 1090 HA CYS 131 HA CYS 131 -20.177 4.508 -4.376 1091 1HB CYS 131 HB2 CYS 131 -18.459 3.770 -2.734 1092 2HB CYS 131 HB1 CYS 131 -17.215 4.537 -3.725 1093 H SER 132 HN SER 132 -17.179 4.531 -6.294 1094 HA SER 132 HA SER 132 -18.027 7.194 -7.362 1095 1HB SER 132 HB2 SER 132 -15.981 7.751 -6.478 1096 2HB SER 132 HB1 SER 132 -15.376 6.099 -6.570 1097 HG SER 132 HG SER 132 -14.643 6.488 -8.510 1098 H SER 133 HN SER 133 -18.286 7.343 -9.564 1099 HA SER 133 HA SER 133 -18.064 4.847 -11.116 1100 1HB SER 133 HB2 SER 133 -19.553 7.353 -11.314 1101 2HB SER 133 HB1 SER 133 -18.858 6.868 -12.857 1102 HG SER 133 HG SER 133 -19.804 4.785 -12.479 Start of MODEL 3 Raw file had 1102 H/Q atoms Start of MODEL 3 1 1H GLU 1 HT1 GLU 1 -15.155 19.555 7.492 2 2H GLU 1 HT3 GLU 1 -15.537 18.080 6.746 3 3H GLU 1 HT2 GLU 1 -16.314 19.508 6.251 4 HA GLU 1 HA GLU 1 -17.406 19.707 8.383 5 1HB GLU 1 HB2 GLU 1 -17.671 16.959 7.125 6 2HB GLU 1 HB1 GLU 1 -18.859 17.711 8.190 7 1HG GLU 1 HG2 GLU 1 -18.973 19.636 6.552 8 2HG GLU 1 HG1 GLU 1 -17.986 18.669 5.453 9 H ALA 2 HN ALA 2 -17.840 18.711 10.478 10 HA ALA 2 HA ALA 2 -15.443 17.307 11.525 11 1HB ALA 2 HB1 ALA 2 -16.617 19.419 12.578 12 2HB ALA 2 HB3 ALA 2 -17.730 18.224 13.243 13 3HB ALA 2 HB2 ALA 2 -16.010 18.139 13.629 14 H GLU 3 HN GLU 3 -16.706 15.527 10.030 15 HA GLU 3 HA GLU 3 -17.754 13.611 11.978 16 1HB GLU 3 HB2 GLU 3 -19.634 15.222 10.793 17 2HB GLU 3 HB1 GLU 3 -19.592 13.851 9.684 18 1HG GLU 3 HG2 GLU 3 -19.539 12.664 12.202 19 2HG GLU 3 HG1 GLU 3 -20.670 14.005 12.392 20 H ALA 4 HN ALA 4 -18.145 11.456 10.870 21 HA ALA 4 HA ALA 4 -16.136 11.124 8.706 22 1HB ALA 4 HB3 ALA 4 -15.962 9.696 10.740 23 2HB ALA 4 HB2 ALA 4 -17.555 9.032 10.383 24 3HB ALA 4 HB1 ALA 4 -16.212 8.743 9.278 25 H HIS 5 HN HIS 5 -16.856 9.128 7.198 26 HA HIS 5 HA HIS 5 -19.676 8.941 6.596 27 1HB HIS 5 HB2 HIS 5 -18.658 11.279 5.695 28 2HB HIS 5 HB1 HIS 5 -18.251 10.238 4.332 29 HD1 HIS 5 HD1 HIS 5 -20.208 12.056 3.360 30 HD2 HIS 5 HD2 HIS 5 -21.460 8.849 5.710 31 HE1 HIS 5 HE1 HIS 5 -22.677 11.748 2.893 32 H LYS 6 HN LYS 6 -19.958 7.729 4.434 33 HA LYS 6 HA LYS 6 -18.200 5.452 4.429 34 1HB LYS 6 HB2 LYS 6 -20.444 6.397 2.661 35 2HB LYS 6 HB1 LYS 6 -19.464 5.011 2.179 36 1HG LYS 6 HG2 LYS 6 -19.984 4.433 4.813 37 2HG LYS 6 HG1 LYS 6 -21.478 5.230 4.318 38 1HD LYS 6 HD2 LYS 6 -20.246 3.106 2.576 39 2HD LYS 6 HD1 LYS 6 -21.258 2.655 3.949 40 1HE LYS 6 HE2 LYS 6 -23.085 4.065 3.063 41 2HE LYS 6 HE1 LYS 6 -22.077 4.498 1.682 42 1HZ LYS 6 HZ2 LYS 6 -22.127 1.694 1.993 43 2HZ LYS 6 HZ1 LYS 6 -23.720 2.281 1.943 44 3HZ LYS 6 HZ3 LYS 6 -22.649 2.629 0.675 45 H CYS 7 HN CYS 7 -16.181 5.540 3.711 46 HA CYS 7 HA CYS 7 -14.360 6.869 2.635 47 1HB CYS 7 HB2 CYS 7 -14.262 5.251 0.466 48 2HB CYS 7 HB1 CYS 7 -13.784 4.742 2.084 49 H ASP 8 HN ASP 8 -15.617 8.884 2.101 50 HA ASP 8 HA ASP 8 -16.594 9.029 -0.680 51 1HB ASP 8 HB2 ASP 8 -16.844 10.656 1.752 52 2HB ASP 8 HB1 ASP 8 -16.607 11.612 0.288 53 H ILE 9 HN ILE 9 -14.611 11.489 0.949 54 HA ILE 9 HA ILE 9 -12.993 11.700 -1.509 55 HB ILE 9 HB ILE 9 -12.907 13.357 1.025 56 1HG1 ILE 9 HG12 ILE 9 -14.015 14.512 -1.445 57 2HG1 ILE 9 HG11 ILE 9 -14.975 13.185 -0.790 58 1HG2 ILE 9 HG21 ILE 9 -11.447 13.392 -1.565 59 2HG2 ILE 9 HG23 ILE 9 -11.997 14.954 -0.959 60 3HG2 ILE 9 HG22 ILE 9 -10.930 13.953 0.025 61 1HD1 ILE 9 HD13 ILE 9 -14.003 15.119 1.220 62 2HD1 ILE 9 HD12 ILE 9 -15.168 15.770 0.068 63 3HD1 ILE 9 HD11 ILE 9 -15.591 14.370 1.053 64 H THR 10 HN THR 10 -12.716 10.267 1.627 65 HA THR 10 HA THR 10 -9.851 10.421 1.888 66 HB THR 10 HB THR 10 -11.870 8.474 3.033 67 HG1 THR 10 HG1 THR 10 -11.642 9.775 4.845 68 1HG2 THR 10 HG21 THR 10 -8.903 8.696 3.292 69 2HG2 THR 10 HG23 THR 10 -9.832 8.298 4.737 70 3HG2 THR 10 HG22 THR 10 -9.928 7.260 3.314 71 H LEU 11 HN LEU 11 -12.035 8.112 0.329 72 HA LEU 11 HA LEU 11 -9.964 6.158 -0.198 73 1HB LEU 11 HB2 LEU 11 -12.752 6.251 -0.430 74 2HB LEU 11 HB1 LEU 11 -12.173 6.078 -2.087 75 HG LEU 11 HG LEU 11 -10.725 4.177 -1.326 76 1HD1 LEU 11 HD13 LEU 11 -11.507 5.169 1.234 77 2HD1 LEU 11 HD12 LEU 11 -12.144 3.532 1.074 78 3HD1 LEU 11 HD11 LEU 11 -10.418 3.829 0.875 79 1HD2 LEU 11 HD21 LEU 11 -13.720 4.139 -1.100 80 2HD2 LEU 11 HD23 LEU 11 -12.687 3.402 -2.324 81 3HD2 LEU 11 HD22 LEU 11 -12.813 2.674 -0.723 82 H GLN 12 HN GLN 12 -11.549 8.632 -2.272 83 HA GLN 12 HA GLN 12 -10.094 8.059 -4.627 84 1HB GLN 12 HB2 GLN 12 -10.569 10.405 -5.293 85 2HB GLN 12 HB1 GLN 12 -11.993 9.594 -4.645 86 1HG GLN 12 HG2 GLN 12 -11.501 10.625 -2.415 87 2HG GLN 12 HG1 GLN 12 -10.191 11.535 -3.172 88 1HE2 GLN 12 HE22 GLN 12 -12.346 13.953 -4.558 89 2HE2 GLN 12 HE21 GLN 12 -10.750 13.451 -4.271 90 H GLU 13 HN GLU 13 -9.227 10.236 -1.937 91 HA GLU 13 HA GLU 13 -6.759 11.126 -3.115 92 1HB GLU 13 HB2 GLU 13 -8.176 11.622 -0.731 93 2HB GLU 13 HB1 GLU 13 -6.619 10.969 -0.222 94 1HG GLU 13 HG2 GLU 13 -6.715 13.080 -2.358 95 2HG GLU 13 HG1 GLU 13 -6.848 13.547 -0.663 96 H ILE 14 HN ILE 14 -7.664 8.356 -1.134 97 HA ILE 14 HA ILE 14 -5.004 7.418 -0.601 98 HB ILE 14 HB ILE 14 -7.751 6.411 -0.322 99 1HG1 ILE 14 HG12 ILE 14 -5.540 5.384 1.351 100 2HG1 ILE 14 HG11 ILE 14 -5.691 7.140 1.324 101 1HG2 ILE 14 HG23 ILE 14 -5.473 4.506 -0.936 102 2HG2 ILE 14 HG22 ILE 14 -6.958 4.018 -0.121 103 3HG2 ILE 14 HG21 ILE 14 -7.021 4.627 -1.774 104 1HD1 ILE 14 HD11 ILE 14 -8.286 5.831 1.564 105 2HD1 ILE 14 HD13 ILE 14 -7.202 5.394 2.884 106 3HD1 ILE 14 HD12 ILE 14 -7.571 7.089 2.571 107 H ILE 15 HN ILE 15 -7.052 7.258 -3.423 108 HA ILE 15 HA ILE 15 -5.659 5.037 -4.677 109 HB ILE 15 HB ILE 15 -7.788 6.957 -5.404 110 1HG1 ILE 15 HG12 ILE 15 -8.675 4.875 -6.485 111 2HG1 ILE 15 HG11 ILE 15 -7.196 4.043 -6.003 112 1HG2 ILE 15 HG22 ILE 15 -5.848 5.843 -7.442 113 2HG2 ILE 15 HG21 ILE 15 -7.485 6.345 -7.862 114 3HG2 ILE 15 HG23 ILE 15 -6.339 7.523 -7.223 115 1HD1 ILE 15 HD12 ILE 15 -9.098 5.419 -4.088 116 2HD1 ILE 15 HD11 ILE 15 -9.061 3.683 -4.390 117 3HD1 ILE 15 HD13 ILE 15 -7.672 4.479 -3.651 118 H LYS 16 HN LYS 16 -5.603 8.587 -5.131 119 HA LYS 16 HA LYS 16 -3.628 8.696 -7.138 120 1HB LYS 16 HB2 LYS 16 -4.374 10.568 -4.901 121 2HB LYS 16 HB1 LYS 16 -3.029 10.951 -5.976 122 1HG LYS 16 HG2 LYS 16 -4.487 11.697 -7.515 123 2HG LYS 16 HG1 LYS 16 -5.195 10.084 -7.608 124 1HD LYS 16 HD2 LYS 16 -6.343 10.902 -5.320 125 2HD LYS 16 HD1 LYS 16 -6.120 12.474 -6.091 126 1HE LYS 16 HE2 LYS 16 -7.179 10.366 -7.869 127 2HE LYS 16 HE1 LYS 16 -8.258 10.835 -6.555 128 1HZ LYS 16 HZ3 LYS 16 -6.915 12.812 -8.304 129 2HZ LYS 16 HZ2 LYS 16 -8.443 12.163 -8.663 130 3HZ LYS 16 HZ1 LYS 16 -8.214 13.068 -7.244 131 H THR 17 HN THR 17 -3.167 8.727 -3.601 132 HA THR 17 HA THR 17 -0.310 8.810 -3.674 133 HB THR 17 HB THR 17 -2.259 7.762 -1.608 134 HG1 THR 17 HG1 THR 17 -1.740 10.121 -2.297 135 1HG2 THR 17 HG23 THR 17 0.692 7.591 -1.744 136 2HG2 THR 17 HG22 THR 17 0.041 8.218 -0.229 137 3HG2 THR 17 HG21 THR 17 -0.451 6.627 -0.810 138 H LEU 18 HN LEU 18 -2.600 6.098 -3.640 139 HA LEU 18 HA LEU 18 -0.722 4.000 -3.374 140 1HB LEU 18 HB2 LEU 18 -3.223 3.765 -3.266 141 2HB LEU 18 HB1 LEU 18 -3.278 3.968 -5.012 142 HG LEU 18 HG LEU 18 -3.307 1.557 -4.063 143 1HD1 LEU 18 HD13 LEU 18 -2.400 2.646 -6.444 144 2HD1 LEU 18 HD12 LEU 18 -1.089 1.568 -5.962 145 3HD1 LEU 18 HD11 LEU 18 -2.726 0.939 -6.143 146 1HD2 LEU 18 HD21 LEU 18 -1.385 1.956 -2.495 147 2HD2 LEU 18 HD23 LEU 18 -1.151 0.573 -3.562 148 3HD2 LEU 18 HD22 LEU 18 -0.328 2.095 -3.900 149 H ASN 19 HN ASN 19 -1.574 6.005 -6.115 150 HA ASN 19 HA ASN 19 -0.334 4.294 -8.108 151 1HB ASN 19 HB2 ASN 19 -1.843 6.756 -8.054 152 2HB ASN 19 HB1 ASN 19 -0.410 6.949 -9.066 153 1HD2 ASN 19 HD22 ASN 19 -2.322 5.436 -11.639 154 2HD2 ASN 19 HD21 ASN 19 -1.571 6.858 -11.093 155 H SER 20 HN SER 20 0.690 7.150 -6.245 156 HA SER 20 HA SER 20 3.163 7.551 -7.627 157 1HB SER 20 HB2 SER 20 3.807 8.486 -5.214 158 2HB SER 20 HB1 SER 20 2.712 9.359 -6.281 159 HG SER 20 HG SER 20 1.311 9.136 -4.749 160 H LEU 21 HN LEU 21 2.266 5.313 -5.038 161 HA LEU 21 HA LEU 21 4.970 4.620 -4.311 162 1HB LEU 21 HB2 LEU 21 2.334 3.775 -3.568 163 2HB LEU 21 HB1 LEU 21 3.287 2.344 -3.963 164 HG LEU 21 HG LEU 21 5.060 3.071 -2.437 165 1HD1 LEU 21 HD12 LEU 21 3.670 5.585 -2.670 166 2HD1 LEU 21 HD11 LEU 21 3.768 5.126 -0.971 167 3HD1 LEU 21 HD13 LEU 21 5.239 5.258 -1.934 168 1HD2 LEU 21 HD22 LEU 21 2.537 2.133 -1.728 169 2HD2 LEU 21 HD21 LEU 21 3.965 2.128 -0.693 170 3HD2 LEU 21 HD23 LEU 21 2.813 3.461 -0.602 171 H THR 22 HN THR 22 2.892 3.674 -6.959 172 HA THR 22 HA THR 22 4.457 1.311 -7.650 173 HB THR 22 HB THR 22 2.588 2.807 -9.490 174 HG1 THR 22 HG1 THR 22 0.967 1.471 -8.565 175 1HG2 THR 22 HG23 THR 22 4.154 0.643 -9.948 176 2HG2 THR 22 HG22 THR 22 2.707 -0.149 -9.326 177 3HG2 THR 22 HG21 THR 22 2.599 0.897 -10.741 178 H GLU 23 HN GLU 23 4.879 4.690 -8.146 179 HA GLU 23 HA GLU 23 6.068 4.848 -10.683 180 1HB GLU 23 HB2 GLU 23 6.758 6.275 -8.103 181 2HB GLU 23 HB1 GLU 23 7.477 6.698 -9.657 182 1HG GLU 23 HG2 GLU 23 5.348 7.285 -10.585 183 2HG GLU 23 HG1 GLU 23 4.485 6.583 -9.216 184 H GLN 24 HN GLN 24 7.515 3.814 -7.612 185 HA GLN 24 HA GLN 24 9.935 2.936 -9.134 186 1HB GLN 24 HB2 GLN 24 9.491 3.980 -6.389 187 2HB GLN 24 HB1 GLN 24 10.654 2.662 -6.532 188 1HG GLN 24 HG2 GLN 24 10.839 4.885 -8.515 189 2HG GLN 24 HG1 GLN 24 11.387 5.209 -6.871 190 1HE2 GLN 24 HE22 GLN 24 14.306 3.244 -7.178 191 2HE2 GLN 24 HE21 GLN 24 13.354 4.225 -6.174 192 H LYS 25 HN LYS 25 8.201 1.161 -9.718 193 HA LYS 25 HA LYS 25 8.001 -0.859 -7.557 194 1HB LYS 25 HB2 LYS 25 6.424 -2.009 -9.106 195 2HB LYS 25 HB1 LYS 25 5.924 -0.358 -8.737 196 1HG LYS 25 HG2 LYS 25 6.513 0.435 -10.855 197 2HG LYS 25 HG1 LYS 25 7.649 -0.881 -11.144 198 1HD LYS 25 HD2 LYS 25 4.831 -1.697 -10.734 199 2HD LYS 25 HD1 LYS 25 5.155 -0.801 -12.218 200 1HE LYS 25 HE2 LYS 25 7.206 -2.805 -11.698 201 2HE LYS 25 HE1 LYS 25 5.601 -3.527 -11.813 202 1HZ LYS 25 HZ2 LYS 25 5.343 -2.100 -13.881 203 2HZ LYS 25 HZ1 LYS 25 7.028 -1.889 -13.817 204 3HZ LYS 25 HZ3 LYS 25 6.376 -3.445 -13.995 205 H THR 26 HN THR 26 10.587 -0.725 -8.303 206 HA THR 26 HA THR 26 10.957 -3.296 -9.706 207 HB THR 26 HB THR 26 12.251 -0.723 -10.655 208 HG1 THR 26 HG1 THR 26 10.912 -0.878 -12.290 209 1HG2 THR 26 HG22 THR 26 12.808 -3.625 -11.192 210 2HG2 THR 26 HG21 THR 26 13.088 -2.433 -12.459 211 3HG2 THR 26 HG23 THR 26 13.947 -2.306 -10.925 212 H LEU 27 HN LEU 27 13.038 -0.545 -8.717 213 HA LEU 27 HA LEU 27 15.006 -2.350 -7.587 214 1HB LEU 27 HB2 LEU 27 14.843 0.431 -8.226 215 2HB LEU 27 HB1 LEU 27 15.319 0.286 -6.532 216 HG LEU 27 HG LEU 27 16.630 -1.308 -8.745 217 1HD1 LEU 27 HD13 LEU 27 16.777 1.439 -8.505 218 2HD1 LEU 27 HD12 LEU 27 18.159 0.899 -7.551 219 3HD1 LEU 27 HD11 LEU 27 18.012 0.417 -9.242 220 1HD2 LEU 27 HD21 LEU 27 16.678 -1.635 -6.019 221 2HD2 LEU 27 HD23 LEU 27 17.969 -2.145 -7.106 222 3HD2 LEU 27 HD22 LEU 27 18.078 -0.593 -6.275 223 H CYS 28 HN CYS 28 12.602 -0.127 -6.155 224 HA CYS 28 HA CYS 28 13.250 -0.993 -3.453 225 1HB CYS 28 HB2 CYS 28 11.824 1.130 -4.543 226 2HB CYS 28 HB1 CYS 28 10.578 0.140 -3.780 227 H THR 29 HN THR 29 11.465 -2.415 -5.994 228 HA THR 29 HA THR 29 9.636 -3.858 -4.192 229 HB THR 29 HB THR 29 8.963 -5.011 -6.353 230 HG1 THR 29 HG1 THR 29 10.645 -4.729 -7.678 231 1HG2 THR 29 HG22 THR 29 8.802 -2.032 -5.935 232 2HG2 THR 29 HG21 THR 29 7.978 -2.813 -7.284 233 3HG2 THR 29 HG23 THR 29 7.569 -3.253 -5.628 234 H GLU 30 HN GLU 30 12.808 -4.177 -4.523 235 HA GLU 30 HA GLU 30 12.916 -7.067 -5.102 236 1HB GLU 30 HB2 GLU 30 15.328 -6.801 -4.900 237 2HB GLU 30 HB1 GLU 30 14.700 -5.490 -5.899 238 1HG GLU 30 HG2 GLU 30 15.703 -4.053 -4.486 239 2HG GLU 30 HG1 GLU 30 14.518 -4.533 -3.269 240 H LEU 31 HN LEU 31 11.362 -6.305 -2.791 241 HA LEU 31 HA LEU 31 12.924 -7.681 -0.678 242 1HB LEU 31 HB2 LEU 31 11.154 -5.242 -0.264 243 2HB LEU 31 HB1 LEU 31 11.944 -6.162 1.015 244 HG LEU 31 HG LEU 31 13.851 -5.359 -1.031 245 1HD1 LEU 31 HD11 LEU 31 11.954 -3.495 -0.951 246 2HD1 LEU 31 HD13 LEU 31 12.808 -3.024 0.518 247 3HD1 LEU 31 HD12 LEU 31 13.660 -3.055 -1.026 248 1HD2 LEU 31 HD21 LEU 31 13.496 -5.134 1.946 249 2HD2 LEU 31 HD23 LEU 31 14.748 -5.982 1.040 250 3HD2 LEU 31 HD22 LEU 31 14.780 -4.223 1.150 251 H THR 32 HN THR 32 11.742 -9.555 -1.203 252 HA THR 32 HA THR 32 9.114 -9.999 -1.793 253 HB THR 32 HB THR 32 9.328 -12.107 -0.303 254 HG1 THR 32 HG1 THR 32 10.929 -11.130 1.055 255 1HG2 THR 32 HG22 THR 32 10.802 -11.266 -2.711 256 2HG2 THR 32 HG21 THR 32 11.496 -12.662 -1.886 257 3HG2 THR 32 HG23 THR 32 9.821 -12.706 -2.436 258 H VAL 33 HN VAL 33 7.144 -10.198 -0.718 259 HA VAL 33 HA VAL 33 7.038 -9.430 2.153 260 HB VAL 33 HB VAL 33 5.285 -7.779 1.704 261 1HG1 VAL 33 HG12 VAL 33 7.824 -7.261 1.456 262 2HG1 VAL 33 HG11 VAL 33 7.477 -7.162 -0.271 263 3HG1 VAL 33 HG13 VAL 33 6.666 -6.075 0.856 264 1HG2 VAL 33 HG23 VAL 33 5.332 -9.096 -0.911 265 2HG2 VAL 33 HG22 VAL 33 4.061 -8.121 -0.172 266 3HG2 VAL 33 HG21 VAL 33 5.380 -7.338 -1.044 267 H THR 34 HN THR 34 3.952 -9.242 1.635 268 HA THR 34 HA THR 34 3.565 -12.202 1.476 269 HB THR 34 HB THR 34 2.651 -10.196 3.379 270 HG1 THR 34 HG1 THR 34 3.299 -11.935 4.360 271 1HG2 THR 34 HG21 THR 34 0.556 -11.923 2.029 272 2HG2 THR 34 HG23 THR 34 0.323 -11.096 3.567 273 3HG2 THR 34 HG22 THR 34 0.586 -10.160 2.098 274 H ASP 35 HN ASP 35 2.009 -12.971 0.050 275 HA ASP 35 HA ASP 35 0.834 -10.954 -1.795 276 1HB ASP 35 HB2 ASP 35 1.759 -12.510 -3.206 277 2HB ASP 35 HB1 ASP 35 1.646 -13.805 -2.015 278 H ILE 36 HN ILE 36 -1.245 -10.378 -1.409 279 HA ILE 36 HA ILE 36 -2.992 -12.362 -0.014 280 HB ILE 36 HB ILE 36 -3.963 -10.649 1.187 281 1HG1 ILE 36 HG12 ILE 36 -3.377 -9.009 -1.267 282 2HG1 ILE 36 HG11 ILE 36 -4.920 -9.277 -0.453 283 1HG2 ILE 36 HG23 ILE 36 -1.374 -10.680 1.409 284 2HG2 ILE 36 HG22 ILE 36 -1.428 -9.164 0.510 285 3HG2 ILE 36 HG21 ILE 36 -2.244 -9.294 2.067 286 1HD1 ILE 36 HD13 ILE 36 -3.820 -8.032 1.548 287 2HD1 ILE 36 HD12 ILE 36 -2.659 -7.460 0.351 288 3HD1 ILE 36 HD11 ILE 36 -4.371 -7.078 0.169 289 H PHE 37 HN PHE 37 -2.469 -11.677 -3.056 290 HA PHE 37 HA PHE 37 -5.344 -11.241 -3.746 291 1HB PHE 37 HB2 PHE 37 -2.840 -10.820 -5.407 292 2HB PHE 37 HB1 PHE 37 -4.485 -10.625 -6.013 293 HD1 PHE 37 HD2 PHE 37 -6.034 -9.150 -4.340 294 HD2 PHE 37 HD1 PHE 37 -1.764 -8.876 -4.712 295 HE1 PHE 37 HE2 PHE 37 -6.104 -6.846 -3.427 296 HE2 PHE 37 HE1 PHE 37 -1.833 -6.571 -3.799 297 HZ PHE 37 HZ PHE 37 -4.003 -5.557 -3.156 298 H ALA 38 HN ALA 38 -4.460 -13.782 -2.866 299 HA ALA 38 HA ALA 38 -4.436 -15.346 -5.414 300 1HB ALA 38 HB2 ALA 38 -2.621 -15.517 -3.407 301 2HB ALA 38 HB1 ALA 38 -3.802 -16.705 -2.853 302 3HB ALA 38 HB3 ALA 38 -3.048 -16.884 -4.438 303 H ALA 39 HN ALA 39 -5.938 -14.995 -2.237 304 HA ALA 39 HA ALA 39 -8.103 -16.840 -3.169 305 1HB ALA 39 HB1 ALA 39 -6.836 -17.755 -1.244 306 2HB ALA 39 HB3 ALA 39 -7.208 -16.299 -0.320 307 3HB ALA 39 HB2 ALA 39 -8.506 -17.391 -0.805 308 H SER 40 HN SER 40 -8.347 -14.272 -3.974 309 HA SER 40 HA SER 40 -10.126 -12.954 -1.967 310 1HB SER 40 HB2 SER 40 -8.548 -11.347 -2.620 311 2HB SER 40 HB1 SER 40 -8.482 -11.944 -4.277 312 HG SER 40 HG SER 40 -9.670 -9.982 -4.072 313 H LYS 41 HN LYS 41 -12.065 -14.081 -2.372 314 HA LYS 41 HA LYS 41 -13.149 -13.756 -5.142 315 1HB LYS 41 HB2 LYS 41 -13.610 -16.007 -3.164 316 2HB LYS 41 HB1 LYS 41 -14.489 -15.821 -4.682 317 1HG LYS 41 HG2 LYS 41 -12.529 -16.149 -5.983 318 2HG LYS 41 HG1 LYS 41 -11.472 -15.910 -4.591 319 1HD LYS 41 HD2 LYS 41 -12.027 -18.007 -3.657 320 2HD LYS 41 HD1 LYS 41 -13.472 -18.167 -4.657 321 1HE LYS 41 HE2 LYS 41 -11.476 -17.913 -6.544 322 2HE LYS 41 HE1 LYS 41 -10.684 -18.854 -5.280 323 1HZ LYS 41 HZ2 LYS 41 -13.070 -20.044 -5.397 324 2HZ LYS 41 HZ1 LYS 41 -12.885 -19.574 -7.020 325 3HZ LYS 41 HZ3 LYS 41 -11.715 -20.558 -6.285 326 H ASP 42 HN ASP 42 -13.924 -13.792 -1.667 327 HA ASP 42 HA ASP 42 -16.265 -12.067 -2.317 328 1HB ASP 42 HB2 ASP 42 -16.339 -14.308 -0.279 329 2HB ASP 42 HB1 ASP 42 -17.679 -13.269 -0.763 330 H THR 43 HN THR 43 -14.015 -10.864 -1.535 331 HA THR 43 HA THR 43 -14.292 -10.458 1.415 332 HB THR 43 HB THR 43 -11.981 -9.135 0.367 333 HG1 THR 43 HG1 THR 43 -12.074 -11.895 -0.250 334 1HG2 THR 43 HG21 THR 43 -12.638 -10.391 2.632 335 2HG2 THR 43 HG23 THR 43 -11.794 -11.723 1.841 336 3HG2 THR 43 HG22 THR 43 -10.956 -10.199 2.135 337 H THR 44 HN THR 44 -13.572 -8.015 1.931 338 HA THR 44 HA THR 44 -15.028 -6.272 -0.013 339 HB THR 44 HB THR 44 -15.779 -4.931 1.945 340 HG1 THR 44 HG1 THR 44 -15.352 -5.639 3.966 341 1HG2 THR 44 HG21 THR 44 -16.596 -7.635 1.260 342 2HG2 THR 44 HG23 THR 44 -16.974 -7.256 2.940 343 3HG2 THR 44 HG22 THR 44 -17.592 -6.232 1.643 344 H GLU 45 HN GLU 45 -14.448 -3.842 0.538 345 HA GLU 45 HA GLU 45 -11.575 -3.625 0.164 346 1HB GLU 45 HB2 GLU 45 -11.960 -1.273 -0.122 347 2HB GLU 45 HB1 GLU 45 -13.321 -2.098 -0.880 348 1HG GLU 45 HG2 GLU 45 -14.452 -1.854 1.463 349 2HG GLU 45 HG1 GLU 45 -13.237 -0.605 1.729 350 H LYS 46 HN LYS 46 -13.795 -3.187 2.865 351 HA LYS 46 HA LYS 46 -11.977 -1.764 4.569 352 1HB LYS 46 HB2 LYS 46 -13.992 -1.673 5.604 353 2HB LYS 46 HB1 LYS 46 -14.547 -3.166 4.848 354 1HG LYS 46 HG2 LYS 46 -13.397 -4.515 6.477 355 2HG LYS 46 HG1 LYS 46 -12.553 -3.109 7.128 356 1HD LYS 46 HD2 LYS 46 -14.496 -2.252 8.135 357 2HD LYS 46 HD1 LYS 46 -15.562 -3.220 7.118 358 1HE LYS 46 HE2 LYS 46 -13.630 -4.608 8.946 359 2HE LYS 46 HE1 LYS 46 -15.123 -3.945 9.612 360 1HZ LYS 46 HZ1 LYS 46 -15.084 -5.702 7.229 361 2HZ LYS 46 HZ3 LYS 46 -15.217 -6.313 8.806 362 3HZ LYS 46 HZ2 LYS 46 -16.414 -5.275 8.195 363 H GLU 47 HN GLU 47 -12.710 -5.254 4.296 364 HA GLU 47 HA GLU 47 -10.775 -6.063 6.263 365 1HB GLU 47 HB2 GLU 47 -12.249 -7.462 4.043 366 2HB GLU 47 HB1 GLU 47 -10.972 -8.303 4.925 367 1HG GLU 47 HG2 GLU 47 -12.244 -8.510 6.792 368 2HG GLU 47 HG1 GLU 47 -12.856 -6.861 6.664 369 H THR 48 HN THR 48 -10.635 -6.276 2.685 370 HA THR 48 HA THR 48 -7.935 -7.103 2.512 371 HB THR 48 HB THR 48 -9.099 -5.221 0.482 372 HG1 THR 48 HG1 THR 48 -10.487 -6.751 -0.190 373 1HG2 THR 48 HG22 THR 48 -7.212 -7.535 0.574 374 2HG2 THR 48 HG21 THR 48 -8.147 -7.289 -0.901 375 3HG2 THR 48 HG23 THR 48 -7.081 -6.014 -0.309 376 H PHE 49 HN PHE 49 -9.216 -3.960 3.297 377 HA PHE 49 HA PHE 49 -6.817 -2.493 2.541 378 1HB PHE 49 HB2 PHE 49 -9.382 -1.867 3.919 379 2HB PHE 49 HB1 PHE 49 -8.013 -0.801 4.236 380 HD1 PHE 49 HD1 PHE 49 -8.657 -2.687 1.099 381 HD2 PHE 49 HD2 PHE 49 -8.674 1.152 3.025 382 HE1 PHE 49 HE1 PHE 49 -9.015 -1.591 -1.096 383 HE2 PHE 49 HE2 PHE 49 -9.030 2.249 0.828 384 HZ PHE 49 HZ PHE 49 -9.204 0.876 -1.232 385 H CYS 50 HN CYS 50 -8.137 -3.712 5.641 386 HA CYS 50 HA CYS 50 -5.967 -2.625 7.212 387 1HB CYS 50 HB2 CYS 50 -7.326 -3.297 8.877 388 2HB CYS 50 HB1 CYS 50 -8.359 -4.111 7.703 389 NH1 ARG 51 NH2 ARG 51 -8.681 -11.064 3.724 390 NH2 ARG 51 NH1 ARG 51 -7.386 -10.957 1.877 391 H ARG 51 HN ARG 51 -6.451 -5.688 5.506 392 HA ARG 51 HA ARG 51 -4.208 -7.070 6.650 393 1HB ARG 51 HB2 ARG 51 -5.953 -7.392 4.264 394 2HB ARG 51 HB1 ARG 51 -4.367 -8.159 4.175 395 1HG ARG 51 HG2 ARG 51 -4.880 -9.701 5.774 396 2HG ARG 51 HG1 ARG 51 -5.798 -8.543 6.736 397 1HD ARG 51 HD2 ARG 51 -7.224 -10.352 5.744 398 2HD ARG 51 HD1 ARG 51 -7.704 -8.733 5.238 399 HE ARG 51 HE ARG 51 -5.932 -9.558 3.270 400 1HH1 ARG 51 HH21 ARG 51 -8.866 -10.824 4.676 401 2HH1 ARG 51 HH22 ARG 51 -9.329 -11.640 3.225 402 1HH2 ARG 51 HH11 ARG 51 -6.566 -10.629 1.408 403 2HH2 ARG 51 HH12 ARG 51 -8.042 -11.535 1.392 404 H ALA 52 HN ALA 52 -4.510 -5.458 3.467 405 HA ALA 52 HA ALA 52 -1.715 -5.537 2.875 406 1HB ALA 52 HB1 ALA 52 -3.988 -3.808 1.905 407 2HB ALA 52 HB3 ALA 52 -2.342 -3.588 1.314 408 3HB ALA 52 HB2 ALA 52 -3.174 -5.121 1.056 409 H ALA 53 HN ALA 53 -3.563 -3.475 4.975 410 HA ALA 53 HA ALA 53 -1.727 -1.234 4.959 411 1HB ALA 53 HB1 ALA 53 -4.099 -1.064 5.726 412 2HB ALA 53 HB3 ALA 53 -3.693 -2.077 7.110 413 3HB ALA 53 HB2 ALA 53 -2.952 -0.486 6.935 414 H THR 54 HN THR 54 -2.069 -4.202 6.853 415 HA THR 54 HA THR 54 -0.079 -3.535 8.827 416 HB THR 54 HB THR 54 -1.274 -6.122 7.835 417 HG1 THR 54 HG1 THR 54 -2.365 -4.719 9.337 418 1HG2 THR 54 HG21 THR 54 1.159 -5.704 9.534 419 2HG2 THR 54 HG23 THR 54 0.077 -7.046 9.903 420 3HG2 THR 54 HG22 THR 54 0.845 -6.943 8.319 421 H VAL 55 HN VAL 55 0.018 -5.401 5.795 422 HA VAL 55 HA VAL 55 2.825 -5.951 5.856 423 HB VAL 55 HB VAL 55 1.035 -5.593 3.428 424 1HG1 VAL 55 HG13 VAL 55 3.806 -6.088 3.669 425 2HG1 VAL 55 HG12 VAL 55 3.073 -7.642 3.275 426 3HG1 VAL 55 HG11 VAL 55 2.820 -6.254 2.217 427 1HG2 VAL 55 HG21 VAL 55 1.107 -7.596 5.555 428 2HG2 VAL 55 HG23 VAL 55 -0.080 -7.374 4.269 429 3HG2 VAL 55 HG22 VAL 55 1.383 -8.311 3.968 430 H LEU 56 HN LEU 56 0.991 -3.107 4.949 431 HA LEU 56 HA LEU 56 3.180 -1.825 3.522 432 1HB LEU 56 HB2 LEU 56 0.442 -1.361 3.802 433 2HB LEU 56 HB1 LEU 56 1.192 -0.015 4.659 434 HG LEU 56 HG LEU 56 2.733 -0.272 2.352 435 1HD1 LEU 56 HD12 LEU 56 0.908 -1.807 1.506 436 2HD1 LEU 56 HD11 LEU 56 -0.199 -0.436 1.600 437 3HD1 LEU 56 HD13 LEU 56 1.183 -0.382 0.504 438 1HD2 LEU 56 HD21 LEU 56 0.536 1.549 3.292 439 2HD2 LEU 56 HD23 LEU 56 2.255 1.889 3.091 440 3HD2 LEU 56 HD22 LEU 56 1.207 1.775 1.677 441 NH1 ARG 57 NH2 ARG 57 1.403 -0.327 14.158 442 NH2 ARG 57 NH1 ARG 57 3.245 -1.430 14.863 443 H ARG 57 HN ARG 57 2.081 -1.995 6.854 444 HA ARG 57 HA ARG 57 3.591 0.288 7.787 445 1HB ARG 57 HB2 ARG 57 1.655 -0.875 9.001 446 2HB ARG 57 HB1 ARG 57 2.824 -2.116 9.453 447 1HG ARG 57 HG2 ARG 57 4.202 -0.497 10.600 448 2HG ARG 57 HG1 ARG 57 3.217 0.837 10.001 449 1HD ARG 57 HD2 ARG 57 1.909 0.641 11.819 450 2HD ARG 57 HD1 ARG 57 1.441 -0.969 11.273 451 HE ARG 57 HE ARG 57 3.890 -1.372 12.499 452 1HH1 ARG 57 HH21 ARG 57 0.860 0.087 13.430 453 2HH1 ARG 57 HH22 ARG 57 1.066 -0.308 15.099 454 1HH2 ARG 57 HH11 ARG 57 4.124 -1.866 14.671 455 2HH2 ARG 57 HH12 ARG 57 2.893 -1.404 15.799 456 H GLN 58 HN GLN 58 4.252 -3.171 7.450 457 HA GLN 58 HA GLN 58 6.844 -3.007 8.759 458 1HB GLN 58 HB2 GLN 58 5.905 -5.125 6.807 459 2HB GLN 58 HB1 GLN 58 7.135 -5.289 8.060 460 1HG GLN 58 HG2 GLN 58 4.793 -4.365 9.358 461 2HG GLN 58 HG1 GLN 58 4.286 -5.667 8.281 462 1HE2 GLN 58 HE22 GLN 58 5.989 -6.704 11.694 463 2HE2 GLN 58 HE21 GLN 58 5.198 -5.231 11.399 464 H PHE 59 HN PHE 59 5.629 -2.587 5.494 465 HA PHE 59 HA PHE 59 8.287 -2.635 4.272 466 1HB PHE 59 HB2 PHE 59 6.746 -3.224 2.670 467 2HB PHE 59 HB1 PHE 59 5.482 -2.214 3.364 468 HD1 PHE 59 HD1 PHE 59 8.792 -1.931 1.620 469 HD2 PHE 59 HD2 PHE 59 4.923 -0.195 2.312 470 HE1 PHE 59 HE1 PHE 59 9.280 -0.176 -0.059 471 HE2 PHE 59 HE2 PHE 59 5.414 1.559 0.633 472 HZ PHE 59 HZ PHE 59 7.591 1.569 -0.553 473 OH TYR 60 OH TYR 60 6.993 5.680 10.449 474 H TYR 60 HN TYR 60 6.342 -0.278 5.906 475 HA TYR 60 HA TYR 60 7.730 1.996 4.639 476 1HB TYR 60 HB2 TYR 60 5.729 2.914 5.117 477 2HB TYR 60 HB1 TYR 60 5.305 1.593 6.201 478 HD1 TYR 60 HD1 TYR 60 7.386 4.704 6.014 479 HD2 TYR 60 HD2 TYR 60 5.295 1.913 8.524 480 HE1 TYR 60 HE1 TYR 60 7.786 6.167 7.977 481 HE2 TYR 60 HE2 TYR 60 5.697 3.376 10.486 482 HH TYR 60 HH TYR 60 7.704 6.285 10.225 483 H SER 61 HN SER 61 7.730 0.258 7.732 484 HA SER 61 HA SER 61 9.619 2.212 8.878 485 1HB SER 61 HB2 SER 61 8.364 1.548 10.652 486 2HB SER 61 HB1 SER 61 7.924 0.021 9.892 487 HG SER 61 HG SER 61 9.914 0.591 11.657 488 H HIS 62 HN HIS 62 9.662 -1.154 7.727 489 HA HIS 62 HA HIS 62 12.465 -1.472 8.545 490 1HB HIS 62 HB2 HIS 62 10.593 -3.258 6.973 491 2HB HIS 62 HB1 HIS 62 12.245 -3.697 7.402 492 HD1 HIS 62 HD1 HIS 62 9.325 -4.837 8.512 493 HD2 HIS 62 HD2 HIS 62 12.178 -2.576 10.543 494 HE1 HIS 62 HE1 HIS 62 8.948 -5.259 10.981 495 H HIS 63 HN HIS 63 10.738 -1.397 5.394 496 HA HIS 63 HA HIS 63 13.343 -1.159 4.023 497 1HB HIS 63 HB2 HIS 63 10.557 -1.181 2.835 498 2HB HIS 63 HB1 HIS 63 12.077 -1.417 1.971 499 HD1 HIS 63 HD1 HIS 63 13.298 -3.242 4.348 500 HD2 HIS 63 HD2 HIS 63 9.708 -3.867 2.324 501 HE1 HIS 63 HE1 HIS 63 12.753 -5.701 4.603 502 H GLU 64 HN GLU 64 12.464 1.104 5.705 503 HA GLU 64 HA GLU 64 11.731 3.170 3.725 504 1HB GLU 64 HB2 GLU 64 10.757 4.102 5.520 505 2HB GLU 64 HB1 GLU 64 11.429 2.846 6.556 506 1HG GLU 64 HG2 GLU 64 13.518 4.134 6.783 507 2HG GLU 64 HG1 GLU 64 12.862 5.389 5.728 508 H LYS 65 HN LYS 65 14.528 1.998 5.485 509 HA LYS 65 HA LYS 65 16.160 4.070 4.078 510 1HB LYS 65 HB2 LYS 65 15.888 4.442 6.599 511 2HB LYS 65 HB1 LYS 65 16.840 2.972 6.813 512 1HG LYS 65 HG2 LYS 65 18.515 4.586 6.838 513 2HG LYS 65 HG1 LYS 65 18.489 4.159 5.128 514 1HD LYS 65 HD2 LYS 65 17.263 6.094 4.541 515 2HD LYS 65 HD1 LYS 65 16.771 6.391 6.209 516 1HE LYS 65 HE2 LYS 65 18.482 7.942 6.009 517 2HE LYS 65 HE1 LYS 65 19.390 6.552 6.601 518 1HZ LYS 65 HZ3 LYS 65 19.024 7.182 3.725 519 2HZ LYS 65 HZ2 LYS 65 20.381 7.657 4.631 520 3HZ LYS 65 HZ1 LYS 65 20.047 6.007 4.396 521 H ASP 66 HN ASP 66 15.704 1.556 2.961 522 HA ASP 66 HA ASP 66 17.865 -0.265 3.726 523 1HB ASP 66 HB2 ASP 66 15.597 -0.918 2.683 524 2HB ASP 66 HB1 ASP 66 16.285 -0.374 1.152 525 H THR 67 HN THR 67 19.909 -0.247 2.898 526 HA THR 67 HA THR 67 20.837 1.926 1.289 527 HB THR 67 HB THR 67 22.914 0.467 1.040 528 HG1 THR 67 HG1 THR 67 22.898 -1.432 2.255 529 1HG2 THR 67 HG23 THR 67 22.519 2.089 2.912 530 2HG2 THR 67 HG22 THR 67 21.840 0.764 3.857 531 3HG2 THR 67 HG21 THR 67 23.535 0.722 3.369 532 NH1 ARG 68 NH2 ARG 68 19.398 -7.863 -1.507 533 NH2 ARG 68 NH1 ARG 68 21.099 -8.059 -2.981 534 H ARG 68 HN ARG 68 19.540 -1.221 0.462 535 HA ARG 68 HA ARG 68 20.554 -1.295 -2.240 536 1HB ARG 68 HB2 ARG 68 18.395 -2.727 -0.725 537 2HB ARG 68 HB1 ARG 68 18.447 -2.864 -2.483 538 1HG ARG 68 HG2 ARG 68 20.839 -3.568 -2.314 539 2HG ARG 68 HG1 ARG 68 20.686 -3.547 -0.557 540 1HD ARG 68 HD2 ARG 68 19.488 -5.483 -0.509 541 2HD ARG 68 HD1 ARG 68 18.580 -5.067 -1.962 542 HE ARG 68 HE ARG 68 21.129 -5.606 -2.902 543 1HH1 ARG 68 HH21 ARG 68 18.782 -7.305 -0.954 544 2HH1 ARG 68 HH22 ARG 68 19.318 -8.860 -1.483 545 1HH2 ARG 68 HH11 ARG 68 21.795 -7.642 -3.565 546 2HH2 ARG 68 HH12 ARG 68 21.006 -9.054 -2.945 547 H CYS 69 HN CYS 69 17.186 -0.754 -1.128 548 HA CYS 69 HA CYS 69 16.208 0.256 -3.572 549 1HB CYS 69 HB2 CYS 69 14.715 -0.324 -1.721 550 2HB CYS 69 HB1 CYS 69 15.370 0.995 -0.752 551 H LEU 70 HN LEU 70 18.241 1.811 -1.194 552 HA LEU 70 HA LEU 70 17.716 4.529 -1.687 553 1HB LEU 70 HB2 LEU 70 20.047 2.958 -0.757 554 2HB LEU 70 HB1 LEU 70 20.424 4.551 -1.410 555 HG LEU 70 HG LEU 70 18.329 4.027 0.717 556 1HD1 LEU 70 HD12 LEU 70 21.072 3.910 1.037 557 2HD1 LEU 70 HD11 LEU 70 20.708 5.591 1.427 558 3HD1 LEU 70 HD13 LEU 70 19.915 4.289 2.314 559 1HD2 LEU 70 HD21 LEU 70 19.295 6.417 -0.794 560 2HD2 LEU 70 HD23 LEU 70 17.676 6.044 -0.202 561 3HD2 LEU 70 HD22 LEU 70 18.908 6.638 0.912 562 H GLY 71 HN GLY 71 20.283 2.605 -3.302 563 1HA GLY 71 HA2 GLY 71 20.295 2.656 -5.817 564 2HA GLY 71 HA1 GLY 71 19.883 4.366 -5.690 565 H ALA 72 HN ALA 72 22.023 4.095 -7.153 566 HA ALA 72 HA ALA 72 24.345 4.520 -5.311 567 1HB ALA 72 HB2 ALA 72 24.082 3.013 -7.866 568 2HB ALA 72 HB1 ALA 72 25.568 3.935 -7.640 569 3HB ALA 72 HB3 ALA 72 25.116 2.694 -6.473 570 H THR 73 HN THR 73 22.479 6.569 -6.150 571 HA THR 73 HA THR 73 24.412 8.346 -7.534 572 HB THR 73 HB THR 73 22.635 9.219 -9.015 573 HG1 THR 73 HG1 THR 73 21.015 7.037 -8.487 574 1HG2 THR 73 HG23 THR 73 22.977 6.212 -9.177 575 2HG2 THR 73 HG22 THR 73 22.475 7.259 -10.504 576 3HG2 THR 73 HG21 THR 73 24.096 7.408 -9.828 577 H ALA 74 HN ALA 74 23.635 10.689 -7.344 578 HA ALA 74 HA ALA 74 22.762 11.135 -4.584 579 1HB ALA 74 HB1 ALA 74 24.235 12.591 -6.563 580 2HB ALA 74 HB3 ALA 74 22.874 13.584 -6.039 581 3HB ALA 74 HB2 ALA 74 24.029 12.972 -4.853 582 H GLN 75 HN GLN 75 21.434 11.583 -7.837 583 HA GLN 75 HA GLN 75 19.101 13.051 -6.998 584 1HB GLN 75 HB2 GLN 75 19.557 11.302 -9.434 585 2HB GLN 75 HB1 GLN 75 18.181 12.382 -9.215 586 1HG GLN 75 HG2 GLN 75 19.431 14.271 -9.562 587 2HG GLN 75 HG1 GLN 75 20.871 13.580 -8.813 588 1HE2 GLN 75 HE22 GLN 75 21.008 13.760 -12.683 589 2HE2 GLN 75 HE21 GLN 75 20.329 14.874 -11.597 590 H GLN 76 HN GLN 76 19.909 9.639 -7.116 591 HA GLN 76 HA GLN 76 17.191 8.686 -6.822 592 1HB GLN 76 HB2 GLN 76 19.924 7.476 -6.497 593 2HB GLN 76 HB1 GLN 76 18.504 6.597 -5.927 594 1HG GLN 76 HG2 GLN 76 18.820 7.698 -8.734 595 2HG GLN 76 HG1 GLN 76 19.123 6.020 -8.281 596 1HE2 GLN 76 HE22 GLN 76 15.573 5.468 -7.509 597 2HE2 GLN 76 HE21 GLN 76 17.083 5.182 -6.791 598 H PHE 77 HN PHE 77 19.628 9.875 -4.610 599 HA PHE 77 HA PHE 77 18.617 8.703 -2.202 600 1HB PHE 77 HB2 PHE 77 20.703 10.432 -2.882 601 2HB PHE 77 HB1 PHE 77 19.663 11.403 -1.841 602 HD1 PHE 77 HD2 PHE 77 19.117 10.639 0.459 603 HD2 PHE 77 HD1 PHE 77 21.910 8.525 -2.028 604 HE1 PHE 77 HE2 PHE 77 19.976 9.432 2.448 605 HE2 PHE 77 HE1 PHE 77 22.768 7.319 -0.038 606 HZ PHE 77 HZ PHE 77 21.802 7.773 2.199 607 H HIS 78 HN HIS 78 18.117 12.025 -3.462 608 HA HIS 78 HA HIS 78 16.081 12.703 -1.589 609 1HB HIS 78 HB2 HIS 78 17.428 14.129 -3.415 610 2HB HIS 78 HB1 HIS 78 15.947 13.856 -4.335 611 HD1 HIS 78 HD1 HIS 78 13.782 14.970 -3.487 612 HD2 HIS 78 HD2 HIS 78 17.083 15.716 -1.052 613 HE1 HIS 78 HE1 HIS 78 13.082 16.789 -1.870 614 NH1 ARG 79 NH2 ARG 79 13.964 12.544 -10.386 615 NH2 ARG 79 NH1 ARG 79 12.548 14.035 -9.452 616 H ARG 79 HN ARG 79 15.855 11.375 -4.886 617 HA ARG 79 HA ARG 79 13.044 11.365 -5.133 618 1HB ARG 79 HB2 ARG 79 14.977 10.596 -6.783 619 2HB ARG 79 HB1 ARG 79 14.593 9.004 -6.128 620 1HG ARG 79 HG2 ARG 79 12.720 8.888 -7.370 621 2HG ARG 79 HG1 ARG 79 12.156 10.433 -6.732 622 1HD ARG 79 HD2 ARG 79 14.359 10.650 -8.683 623 2HD ARG 79 HD1 ARG 79 12.856 10.010 -9.347 624 HE ARG 79 HE ARG 79 12.044 12.215 -7.888 625 1HH1 ARG 79 HH21 ARG 79 14.382 11.638 -10.415 626 2HH1 ARG 79 HH22 ARG 79 14.227 13.232 -11.064 627 1HH2 ARG 79 HH11 ARG 79 11.871 14.273 -8.755 628 2HH2 ARG 79 HH12 ARG 79 12.820 14.712 -10.135 629 H HIS 80 HN HIS 80 15.162 9.231 -3.307 630 HA HIS 80 HA HIS 80 13.109 7.238 -2.784 631 1HB HIS 80 HB2 HIS 80 15.434 6.574 -2.608 632 2HB HIS 80 HB1 HIS 80 15.751 7.842 -1.423 633 HD1 HIS 80 HD1 HIS 80 13.568 4.738 -1.798 634 HD2 HIS 80 HD2 HIS 80 15.335 7.039 1.194 635 HE1 HIS 80 HE1 HIS 80 13.120 3.537 0.387 636 H LYS 81 HN LYS 81 14.332 10.120 -1.139 637 HA LYS 81 HA LYS 81 13.007 9.825 1.341 638 1HB LYS 81 HB2 LYS 81 14.519 11.801 0.108 639 2HB LYS 81 HB1 LYS 81 12.940 12.564 0.294 640 1HG LYS 81 HG2 LYS 81 13.338 12.880 2.483 641 2HG LYS 81 HG1 LYS 81 13.528 11.143 2.708 642 1HD LYS 81 HD2 LYS 81 15.845 12.432 1.430 643 2HD LYS 81 HD1 LYS 81 15.529 12.994 3.071 644 1HE LYS 81 HE2 LYS 81 15.228 10.386 3.524 645 2HE LYS 81 HE1 LYS 81 16.283 10.264 2.116 646 1HZ LYS 81 HZ2 LYS 81 16.881 11.974 4.464 647 2HZ LYS 81 HZ1 LYS 81 17.450 10.381 4.298 648 3HZ LYS 81 HZ3 LYS 81 17.924 11.571 3.185 649 H GLN 82 HN GLN 82 11.793 10.763 -1.817 650 HA GLN 82 HA GLN 82 9.222 11.706 -0.842 651 1HB GLN 82 HB2 GLN 82 9.857 10.689 -3.623 652 2HB GLN 82 HB1 GLN 82 8.598 11.834 -3.155 653 1HG GLN 82 HG2 GLN 82 11.040 12.892 -2.183 654 2HG GLN 82 HG1 GLN 82 11.347 12.363 -3.837 655 1HE2 GLN 82 HE22 GLN 82 9.325 14.875 -5.301 656 2HE2 GLN 82 HE21 GLN 82 10.258 13.481 -5.564 657 H LEU 83 HN LEU 83 10.517 8.638 -2.037 658 HA LEU 83 HA LEU 83 8.116 7.186 -2.341 659 1HB LEU 83 HB2 LEU 83 10.146 6.144 -3.035 660 2HB LEU 83 HB1 LEU 83 10.891 6.364 -1.454 661 HG LEU 83 HG LEU 83 9.298 4.757 -0.471 662 1HD1 LEU 83 HD11 LEU 83 7.955 5.206 -3.009 663 2HD1 LEU 83 HD13 LEU 83 8.213 3.485 -2.727 664 3HD1 LEU 83 HD12 LEU 83 7.334 4.449 -1.541 665 1HD2 LEU 83 HD21 LEU 83 10.856 3.891 -2.910 666 2HD2 LEU 83 HD23 LEU 83 11.328 3.766 -1.217 667 3HD2 LEU 83 HD22 LEU 83 10.052 2.730 -1.854 668 H ILE 84 HN ILE 84 10.099 7.670 0.583 669 HA ILE 84 HA ILE 84 8.414 6.140 2.333 670 HB ILE 84 HB ILE 84 10.152 8.497 3.095 671 1HG1 ILE 84 HG12 ILE 84 11.598 7.145 1.795 672 2HG1 ILE 84 HG11 ILE 84 11.878 6.598 3.448 673 1HG2 ILE 84 HG22 ILE 84 9.030 6.091 4.523 674 2HG2 ILE 84 HG21 ILE 84 10.477 6.903 5.121 675 3HG2 ILE 84 HG23 ILE 84 8.956 7.788 4.998 676 1HD1 ILE 84 HD12 ILE 84 10.156 4.790 3.046 677 2HD1 ILE 84 HD11 ILE 84 10.147 5.266 1.348 678 3HD1 ILE 84 HD13 ILE 84 11.621 4.631 2.079 679 NH1 ARG 85 NH2 ARG 85 10.072 15.356 1.241 680 NH2 ARG 85 NH1 ARG 85 10.457 15.698 3.440 681 H ARG 85 HN ARG 85 8.327 9.510 1.289 682 HA ARG 85 HA ARG 85 6.507 10.481 3.257 683 1HB ARG 85 HB2 ARG 85 7.693 11.438 0.837 684 2HB ARG 85 HB1 ARG 85 5.959 11.752 0.760 685 1HG ARG 85 HG2 ARG 85 5.987 13.144 2.617 686 2HG ARG 85 HG1 ARG 85 7.413 12.368 3.306 687 1HD ARG 85 HD2 ARG 85 8.485 13.334 1.016 688 2HD ARG 85 HD1 ARG 85 7.231 14.544 1.293 689 HE ARG 85 HE ARG 85 8.467 14.296 3.758 690 1HH1 ARG 85 HH21 ARG 85 9.537 14.953 0.501 691 2HH1 ARG 85 HH22 ARG 85 10.873 15.915 1.025 692 1HH2 ARG 85 HH11 ARG 85 10.212 15.553 4.399 693 2HH2 ARG 85 HH12 ARG 85 11.253 16.255 3.206 694 H PHE 86 HN PHE 86 5.878 9.123 0.019 695 HA PHE 86 HA PHE 86 3.033 9.339 0.169 696 1HB PHE 86 HB2 PHE 86 4.986 7.872 -1.531 697 2HB PHE 86 HB1 PHE 86 3.325 7.278 -1.527 698 HD1 PHE 86 HD2 PHE 86 1.557 9.408 -1.441 699 HD2 PHE 86 HD1 PHE 86 5.448 9.359 -3.258 700 HE1 PHE 86 HE2 PHE 86 0.880 11.264 -2.938 701 HE2 PHE 86 HE1 PHE 86 4.773 11.216 -4.755 702 HZ PHE 86 HZ PHE 86 2.489 12.171 -4.595 703 H LEU 87 HN LEU 87 5.011 6.352 0.461 704 HA LEU 87 HA LEU 87 2.952 4.678 1.366 705 1HB LEU 87 HB2 LEU 87 4.773 3.363 2.546 706 2HB LEU 87 HB1 LEU 87 5.055 3.671 0.836 707 HG LEU 87 HG LEU 87 6.297 5.828 1.819 708 1HD1 LEU 87 HD11 LEU 87 5.590 4.628 4.169 709 2HD1 LEU 87 HD13 LEU 87 7.198 3.954 3.911 710 3HD1 LEU 87 HD12 LEU 87 6.974 5.701 3.985 711 1HD2 LEU 87 HD21 LEU 87 7.191 2.997 1.408 712 2HD2 LEU 87 HD23 LEU 87 7.571 4.434 0.460 713 3HD2 LEU 87 HD22 LEU 87 8.354 4.172 2.016 714 H LYS 88 HN LYS 88 4.619 7.187 3.129 715 HA LYS 88 HA LYS 88 3.928 6.294 5.778 716 1HB LYS 88 HB2 LYS 88 5.066 8.688 4.543 717 2HB LYS 88 HB1 LYS 88 3.989 9.078 5.885 718 1HG LYS 88 HG2 LYS 88 5.313 7.061 7.036 719 2HG LYS 88 HG1 LYS 88 6.562 7.563 5.896 720 1HD LYS 88 HD2 LYS 88 7.112 9.130 7.434 721 2HD LYS 88 HD1 LYS 88 5.651 9.972 6.915 722 1HE LYS 88 HE2 LYS 88 4.562 8.196 8.640 723 2HE LYS 88 HE1 LYS 88 6.152 8.391 9.379 724 1HZ LYS 88 HZ2 LYS 88 4.689 10.781 8.515 725 2HZ LYS 88 HZ1 LYS 88 4.215 10.014 9.955 726 3HZ LYS 88 HZ3 LYS 88 5.800 10.595 9.787 727 NH1 ARG 89 NH2 ARG 89 -2.017 14.322 2.600 728 NH2 ARG 89 NH1 ARG 89 -1.980 13.898 0.383 729 H ARG 89 HN ARG 89 2.376 8.579 3.521 730 HA ARG 89 HA ARG 89 0.127 9.147 5.212 731 1HB ARG 89 HB2 ARG 89 0.781 10.506 3.219 732 2HB ARG 89 HB1 ARG 89 0.256 9.181 2.181 733 1HG ARG 89 HG2 ARG 89 -1.890 9.831 2.342 734 2HG ARG 89 HG1 ARG 89 -1.806 9.812 4.102 735 1HD ARG 89 HD2 ARG 89 -2.152 12.063 3.842 736 2HD ARG 89 HD1 ARG 89 -0.402 12.067 3.621 737 HE ARG 89 HE ARG 89 -1.391 11.618 1.073 738 1HH1 ARG 89 HH21 ARG 89 -1.910 14.024 3.548 739 2HH1 ARG 89 HH22 ARG 89 -2.261 15.271 2.404 740 1HH2 ARG 89 HH11 ARG 89 -1.845 13.266 -0.379 741 2HH2 ARG 89 HH12 ARG 89 -2.225 14.851 0.205 742 H LEU 90 HN LEU 90 0.852 6.533 2.989 743 HA LEU 90 HA LEU 90 -1.865 5.500 2.888 744 1HB LEU 90 HB2 LEU 90 0.641 4.973 1.606 745 2HB LEU 90 HB1 LEU 90 0.032 3.463 2.280 746 HG LEU 90 HG LEU 90 -1.675 5.332 0.623 747 1HD1 LEU 90 HD13 LEU 90 0.383 4.354 -0.566 748 2HD1 LEU 90 HD12 LEU 90 -0.379 2.780 -0.344 749 3HD1 LEU 90 HD11 LEU 90 -1.185 4.023 -1.301 750 1HD2 LEU 90 HD22 LEU 90 -2.457 3.353 2.291 751 2HD2 LEU 90 HD21 LEU 90 -3.308 3.722 0.791 752 3HD2 LEU 90 HD23 LEU 90 -2.142 2.400 0.841 753 H ASP 91 HN ASP 91 0.786 5.188 5.119 754 HA ASP 91 HA ASP 91 0.162 2.593 6.153 755 1HB ASP 91 HB2 ASP 91 2.162 3.181 7.056 756 2HB ASP 91 HB1 ASP 91 1.795 4.905 6.974 757 NH1 ARG 92 NH2 ARG 92 -4.346 7.737 13.891 758 NH2 ARG 92 NH1 ARG 92 -5.401 5.742 13.802 759 H ARG 92 HN ARG 92 -0.868 5.841 7.255 760 HA ARG 92 HA ARG 92 -2.704 4.578 9.192 761 1HB ARG 92 HB2 ARG 92 -1.546 7.246 8.770 762 2HB ARG 92 HB1 ARG 92 -3.235 7.275 9.271 763 1HG ARG 92 HG2 ARG 92 -2.014 5.312 10.882 764 2HG ARG 92 HG1 ARG 92 -0.884 6.665 10.845 765 1HD ARG 92 HD2 ARG 92 -2.198 7.558 12.464 766 2HD ARG 92 HD1 ARG 92 -3.300 7.948 11.144 767 HE ARG 92 HE ARG 92 -3.976 5.350 11.842 768 1HH1 ARG 92 HH21 ARG 92 -3.679 8.389 13.534 769 2HH1 ARG 92 HH22 ARG 92 -4.887 7.976 14.697 770 1HH2 ARG 92 HH11 ARG 92 -5.542 4.852 13.369 771 2HH2 ARG 92 HH12 ARG 92 -5.935 5.997 14.608 772 H ASN 93 HN ASN 93 -2.881 6.011 6.006 773 HA ASN 93 HA ASN 93 -5.727 6.603 6.184 774 1HB ASN 93 HB2 ASN 93 -3.669 6.629 4.014 775 2HB ASN 93 HB1 ASN 93 -5.372 6.640 3.563 776 1HD2 ASN 93 HD22 ASN 93 -4.338 9.769 6.015 777 2HD2 ASN 93 HD21 ASN 93 -3.899 8.191 6.453 778 H LEU 94 HN LEU 94 -3.839 3.920 4.797 779 HA LEU 94 HA LEU 94 -5.918 2.600 3.446 780 1HB LEU 94 HB2 LEU 94 -3.275 2.013 4.085 781 2HB LEU 94 HB1 LEU 94 -4.193 0.720 4.852 782 HG LEU 94 HG LEU 94 -4.750 1.560 2.011 783 1HD1 LEU 94 HD13 LEU 94 -2.291 0.575 2.851 784 2HD1 LEU 94 HD12 LEU 94 -3.156 -0.872 2.333 785 3HD1 LEU 94 HD11 LEU 94 -2.935 0.472 1.213 786 1HD2 LEU 94 HD22 LEU 94 -5.896 -0.264 3.845 787 2HD2 LEU 94 HD21 LEU 94 -6.263 -0.104 2.128 788 3HD2 LEU 94 HD23 LEU 94 -5.026 -1.241 2.662 789 CH2 TRP 95 CH2 TRP 95 -6.245 2.036 13.581 790 H TRP 95 HN TRP 95 -4.797 1.638 6.726 791 HA TRP 95 HA TRP 95 -7.375 0.286 7.150 792 1HB TRP 95 HB2 TRP 95 -6.392 -0.738 8.975 793 2HB TRP 95 HB1 TRP 95 -4.980 -0.418 7.971 794 HD1 TRP 95 HD1 TRP 95 -3.374 1.534 8.678 795 HE1 TRP 95 HE1 TRP 95 -3.021 2.767 10.922 796 HE3 TRP 95 HE3 TRP 95 -7.604 0.102 11.120 797 HZ2 TRP 95 HZ2 TRP 95 -4.373 3.091 13.428 798 HZ3 TRP 95 HZ3 TRP 95 -8.057 0.880 13.431 799 HH2 TRP 95 HH2 TRP 95 -6.447 2.372 14.587 800 H GLY 96 HN GLY 96 -6.011 3.367 7.911 801 1HA GLY 96 HA2 GLY 96 -7.274 4.095 10.301 802 2HA GLY 96 HA1 GLY 96 -7.015 5.226 8.972 803 H LEU 97 HN LEU 97 -8.647 3.723 7.090 804 HA LEU 97 HA LEU 97 -11.303 4.661 7.994 805 1HB LEU 97 HB2 LEU 97 -10.284 5.104 5.664 806 2HB LEU 97 HB1 LEU 97 -10.638 3.411 5.324 807 HG LEU 97 HG LEU 97 -13.016 4.202 6.378 808 1HD1 LEU 97 HD11 LEU 97 -11.578 6.613 5.800 809 2HD1 LEU 97 HD13 LEU 97 -12.908 6.469 4.651 810 3HD1 LEU 97 HD12 LEU 97 -13.232 6.442 6.385 811 1HD2 LEU 97 HD22 LEU 97 -12.614 3.002 4.238 812 2HD2 LEU 97 HD21 LEU 97 -13.801 4.292 4.050 813 3HD2 LEU 97 HD23 LEU 97 -12.146 4.528 3.487 814 H ALA 98 HN ALA 98 -9.551 1.700 7.308 815 HA ALA 98 HA ALA 98 -11.602 -0.178 7.019 816 1HB ALA 98 HB2 ALA 98 -8.990 -0.427 8.542 817 2HB ALA 98 HB1 ALA 98 -10.008 -1.792 8.083 818 3HB ALA 98 HB3 ALA 98 -9.251 -0.799 6.838 819 H GLY 99 HN GLY 99 -10.148 0.932 10.088 820 1HA GLY 99 HA2 GLY 99 -11.403 1.351 12.102 821 2HA GLY 99 HA1 GLY 99 -12.751 0.442 11.418 822 H LEU 100 HN LEU 100 -9.458 -0.783 11.353 823 HA LEU 100 HA LEU 100 -10.231 -2.766 13.457 824 1HB LEU 100 HB2 LEU 100 -9.404 -3.186 10.686 825 2HB LEU 100 HB1 LEU 100 -8.371 -4.048 11.828 826 HG LEU 100 HG LEU 100 -10.741 -4.643 12.923 827 1HD1 LEU 100 HD11 LEU 100 -11.941 -3.284 11.183 828 2HD1 LEU 100 HD13 LEU 100 -11.353 -4.413 9.962 829 3HD1 LEU 100 HD12 LEU 100 -12.446 -4.974 11.227 830 1HD2 LEU 100 HD23 LEU 100 -8.809 -6.001 11.538 831 2HD2 LEU 100 HD22 LEU 100 -10.255 -6.754 12.209 832 3HD2 LEU 100 HD21 LEU 100 -10.219 -6.274 10.513 833 H ASN 101 HN ASN 101 -8.826 -2.756 15.142 834 HA ASN 101 HA ASN 101 -6.403 -1.155 15.044 835 1HB ASN 101 HB2 ASN 101 -7.451 -1.202 17.161 836 2HB ASN 101 HB1 ASN 101 -7.673 -2.951 17.108 837 1HD2 ASN 101 HD22 ASN 101 -4.522 -3.642 18.529 838 2HD2 ASN 101 HD21 ASN 101 -6.006 -4.250 17.972 839 H SER 102 HN SER 102 -6.819 -4.620 15.866 840 HA SER 102 HA SER 102 -4.044 -5.114 14.991 841 1HB SER 102 HB2 SER 102 -5.438 -6.152 17.044 842 2HB SER 102 HB1 SER 102 -5.829 -7.353 15.816 843 HG SER 102 HG SER 102 -3.207 -6.458 16.448 844 H CYS 103 HN CYS 103 -3.538 -6.743 13.390 845 HA CYS 103 HA CYS 103 -5.731 -7.710 11.667 846 1HB CYS 103 HB2 CYS 103 -3.625 -5.733 10.782 847 2HB CYS 103 HB1 CYS 103 -4.397 -6.825 9.633 848 HA PRO 104 HA PRO 104 -2.181 -10.581 12.530 849 1HB PRO 104 HB2 PRO 104 -4.170 -12.671 12.510 850 2HB PRO 104 HB1 PRO 104 -3.209 -12.087 13.875 851 1HG PRO 104 HG2 PRO 104 -6.012 -11.641 13.386 852 2HG PRO 104 HG1 PRO 104 -5.042 -11.051 14.741 853 1HD PRO 104 HD2 PRO 104 -6.091 -9.527 12.535 854 2HD PRO 104 HD1 PRO 104 -5.093 -8.944 13.883 855 H VAL 105 HN VAL 105 -1.511 -10.201 10.303 856 HA VAL 105 HA VAL 105 -2.953 -11.485 8.105 857 HB VAL 105 HB VAL 105 -1.678 -9.479 7.608 858 1HG1 VAL 105 HG13 VAL 105 0.215 -10.693 9.391 859 2HG1 VAL 105 HG12 VAL 105 1.012 -10.372 7.851 860 3HG1 VAL 105 HG11 VAL 105 0.225 -9.058 8.727 861 1HG2 VAL 105 HG23 VAL 105 -1.721 -11.408 5.939 862 2HG2 VAL 105 HG22 VAL 105 -0.405 -10.252 5.728 863 3HG2 VAL 105 HG21 VAL 105 -0.095 -11.809 6.496 864 H LYS 106 HN LYS 106 -2.986 -13.717 8.246 865 HA LYS 106 HA LYS 106 -0.335 -15.072 8.262 866 1HB LYS 106 HB2 LYS 106 -1.280 -15.157 10.575 867 2HB LYS 106 HB1 LYS 106 -2.697 -15.986 9.931 868 1HG LYS 106 HG2 LYS 106 -1.576 -17.923 10.191 869 2HG LYS 106 HG1 LYS 106 -0.503 -17.396 8.893 870 1HD LYS 106 HD2 LYS 106 1.166 -16.770 10.339 871 2HD LYS 106 HD1 LYS 106 0.032 -16.274 11.596 872 1HE LYS 106 HE2 LYS 106 -0.144 -18.399 12.474 873 2HE LYS 106 HE1 LYS 106 0.153 -19.179 10.920 874 1HZ LYS 106 HZ2 LYS 106 2.479 -17.977 11.285 875 2HZ LYS 106 HZ1 LYS 106 2.045 -18.218 12.910 876 3HZ LYS 106 HZ3 LYS 106 2.156 -19.544 11.859 877 H GLU 107 HN GLU 107 -1.162 -14.981 5.888 878 HA GLU 107 HA GLU 107 -2.100 -17.618 5.184 879 1HB GLU 107 HB2 GLU 107 -4.213 -16.999 4.113 880 2HB GLU 107 HB1 GLU 107 -4.273 -16.583 5.825 881 1HG GLU 107 HG2 GLU 107 -3.195 -14.307 4.667 882 2HG GLU 107 HG1 GLU 107 -4.392 -14.831 3.483 883 H ALA 108 HN ALA 108 0.174 -16.509 4.428 884 HA ALA 108 HA ALA 108 0.023 -16.463 1.572 885 1HB ALA 108 HB1 ALA 108 -0.840 -14.132 2.217 886 2HB ALA 108 HB3 ALA 108 0.801 -13.799 2.767 887 3HB ALA 108 HB2 ALA 108 0.502 -14.186 1.073 888 H ASP 109 HN ASP 109 2.010 -16.877 0.736 889 HA ASP 109 HA ASP 109 4.225 -17.267 2.639 890 1HB ASP 109 HB2 ASP 109 3.843 -17.979 -0.281 891 2HB ASP 109 HB1 ASP 109 5.354 -18.258 0.585 892 H GLN 110 HN GLN 110 6.492 -16.659 1.564 893 HA GLN 110 HA GLN 110 6.519 -13.781 1.388 894 1HB GLN 110 HB2 GLN 110 8.406 -15.772 1.894 895 2HB GLN 110 HB1 GLN 110 8.934 -15.059 0.369 896 1HG GLN 110 HG2 GLN 110 9.893 -13.482 1.700 897 2HG GLN 110 HG1 GLN 110 8.258 -12.823 1.784 898 1HE2 GLN 110 HE22 GLN 110 7.844 -13.610 5.199 899 2HE2 GLN 110 HE21 GLN 110 7.187 -12.890 3.809 900 H SER 111 HN SER 111 5.230 -13.223 -0.434 901 HA SER 111 HA SER 111 5.993 -14.226 -3.091 902 1HB SER 111 HB2 SER 111 4.051 -13.218 -3.859 903 2HB SER 111 HB1 SER 111 3.609 -13.467 -2.172 904 HG SER 111 HG SER 111 3.366 -11.269 -3.173 905 H THR 112 HN THR 112 5.732 -11.845 -4.573 906 HA THR 112 HA THR 112 8.167 -10.372 -3.651 907 HB THR 112 HB THR 112 8.624 -9.914 -6.016 908 HG1 THR 112 HG1 THR 112 7.274 -10.823 -7.580 909 1HG2 THR 112 HG23 THR 112 8.912 -12.318 -4.729 910 2HG2 THR 112 HG22 THR 112 8.066 -12.802 -6.199 911 3HG2 THR 112 HG21 THR 112 9.603 -11.943 -6.307 912 H LEU 113 HN LEU 113 8.145 -8.086 -3.792 913 HA LEU 113 HA LEU 113 5.556 -6.859 -3.429 914 1HB LEU 113 HB2 LEU 113 8.092 -6.196 -2.695 915 2HB LEU 113 HB1 LEU 113 7.843 -5.093 -4.050 916 HG LEU 113 HG LEU 113 5.590 -5.339 -2.130 917 1HD1 LEU 113 HD11 LEU 113 8.080 -5.104 -1.019 918 2HD1 LEU 113 HD13 LEU 113 7.665 -3.412 -1.290 919 3HD1 LEU 113 HD12 LEU 113 6.612 -4.432 -0.309 920 1HD2 LEU 113 HD22 LEU 113 6.966 -3.142 -3.691 921 2HD2 LEU 113 HD21 LEU 113 5.346 -3.796 -3.937 922 3HD2 LEU 113 HD23 LEU 113 5.691 -2.808 -2.518 923 H GLU 114 HN GLU 114 7.282 -7.637 -6.280 924 HA GLU 114 HA GLU 114 6.567 -5.377 -7.896 925 1HB GLU 114 HB2 GLU 114 7.410 -8.198 -8.434 926 2HB GLU 114 HB1 GLU 114 6.721 -7.258 -9.759 927 1HG GLU 114 HG2 GLU 114 8.537 -5.894 -9.901 928 2HG GLU 114 HG1 GLU 114 8.732 -5.815 -8.150 929 H ASN 115 HN ASN 115 5.123 -8.646 -7.958 930 HA ASN 115 HA ASN 115 2.764 -7.762 -9.337 931 1HB ASN 115 HB2 ASN 115 1.951 -9.971 -9.051 932 2HB ASN 115 HB1 ASN 115 3.702 -10.147 -9.171 933 1HD2 ASN 115 HD22 ASN 115 1.825 -11.284 -5.784 934 2HD2 ASN 115 HD21 ASN 115 0.973 -10.773 -7.161 935 H PHE 116 HN PHE 116 3.675 -7.546 -6.006 936 HA PHE 116 HA PHE 116 1.010 -7.618 -4.882 937 1HB PHE 116 HB2 PHE 116 2.852 -7.954 -3.379 938 2HB PHE 116 HB1 PHE 116 3.634 -6.465 -3.905 939 HD1 PHE 116 HD1 PHE 116 0.536 -7.755 -2.252 940 HD2 PHE 116 HD2 PHE 116 3.194 -4.426 -2.808 941 HE1 PHE 116 HE1 PHE 116 -0.669 -6.497 -0.487 942 HE2 PHE 116 HE2 PHE 116 1.988 -3.168 -1.042 943 HZ PHE 116 HZ PHE 116 0.058 -4.205 0.119 944 H LEU 117 HN LEU 117 3.223 -4.834 -5.332 945 HA LEU 117 HA LEU 117 1.241 -2.841 -4.954 946 1HB LEU 117 HB2 LEU 117 3.962 -2.946 -6.141 947 2HB LEU 117 HB1 LEU 117 2.952 -1.583 -6.627 948 HG LEU 117 HG LEU 117 3.432 -2.401 -3.749 949 1HD1 LEU 117 HD12 LEU 117 5.504 -1.587 -4.832 950 2HD1 LEU 117 HD11 LEU 117 4.650 -0.136 -5.360 951 3HD1 LEU 117 HD13 LEU 117 4.907 -0.432 -3.641 952 1HD2 LEU 117 HD22 LEU 117 1.742 -0.407 -5.138 953 2HD2 LEU 117 HD21 LEU 117 1.546 -1.132 -3.542 954 3HD2 LEU 117 HD23 LEU 117 2.656 0.220 -3.767 955 H GLU 118 HN GLU 118 2.121 -4.714 -7.805 956 HA GLU 118 HA GLU 118 0.779 -3.124 -9.758 957 1HB GLU 118 HB2 GLU 118 2.115 -4.796 -10.695 958 2HB GLU 118 HB1 GLU 118 1.546 -6.022 -9.562 959 1HG GLU 118 HG2 GLU 118 -0.486 -6.318 -10.706 960 2HG GLU 118 HG1 GLU 118 -0.352 -4.767 -11.535 961 NH1 ARG 119 NH2 ARG 119 -5.117 -9.048 -11.120 962 NH2 ARG 119 NH1 ARG 119 -3.541 -8.368 -12.590 963 H ARG 119 HN ARG 119 -0.364 -5.894 -7.831 964 HA ARG 119 HA ARG 119 -3.076 -5.796 -8.805 965 1HB ARG 119 HB2 ARG 119 -1.795 -6.993 -6.338 966 2HB ARG 119 HB1 ARG 119 -3.530 -7.107 -6.641 967 1HG ARG 119 HG2 ARG 119 -1.448 -7.978 -8.657 968 2HG ARG 119 HG1 ARG 119 -2.158 -9.077 -7.474 969 1HD ARG 119 HD2 ARG 119 -3.941 -9.355 -8.817 970 2HD ARG 119 HD1 ARG 119 -4.295 -7.634 -8.687 971 HE ARG 119 HE ARG 119 -2.263 -7.786 -10.580 972 1HH1 ARG 119 HH21 ARG 119 -5.439 -9.179 -10.184 973 2HH1 ARG 119 HH22 ARG 119 -5.704 -9.311 -11.886 974 1HH2 ARG 119 HH11 ARG 119 -2.642 -7.972 -12.779 975 2HH2 ARG 119 HH12 ARG 119 -4.138 -8.634 -13.345 976 H LEU 120 HN LEU 120 -1.335 -3.836 -6.539 977 HA LEU 120 HA LEU 120 -3.689 -3.011 -5.026 978 1HB LEU 120 HB2 LEU 120 -0.824 -2.537 -4.949 979 2HB LEU 120 HB1 LEU 120 -1.718 -1.025 -4.779 980 HG LEU 120 HG LEU 120 -2.849 -3.256 -3.230 981 1HD1 LEU 120 HD11 LEU 120 -0.036 -2.259 -2.765 982 2HD1 LEU 120 HD13 LEU 120 -1.020 -2.903 -1.451 983 3HD1 LEU 120 HD12 LEU 120 -0.609 -3.925 -2.828 984 1HD2 LEU 120 HD22 LEU 120 -3.113 -0.557 -3.257 985 2HD2 LEU 120 HD21 LEU 120 -3.459 -1.542 -1.835 986 3HD2 LEU 120 HD23 LEU 120 -1.902 -0.729 -1.986 987 H LYS 121 HN LYS 121 -1.867 -1.811 -7.807 988 HA LYS 121 HA LYS 121 -3.345 0.688 -8.001 989 1HB LYS 121 HB2 LYS 121 -0.999 -0.116 -9.036 990 2HB LYS 121 HB1 LYS 121 -2.048 -0.504 -10.400 991 1HG LYS 121 HG2 LYS 121 -3.014 1.929 -9.874 992 2HG LYS 121 HG1 LYS 121 -1.394 2.159 -9.214 993 1HD LYS 121 HD2 LYS 121 -1.270 2.806 -11.514 994 2HD LYS 121 HD1 LYS 121 -0.502 1.222 -11.409 995 1HE LYS 121 HE2 LYS 121 -2.557 0.140 -12.185 996 2HE LYS 121 HE1 LYS 121 -3.391 1.693 -12.209 997 1HZ LYS 121 HZ2 LYS 121 -0.895 1.375 -13.723 998 2HZ LYS 121 HZ1 LYS 121 -2.337 0.744 -14.365 999 3HZ LYS 121 HZ3 LYS 121 -2.215 2.401 -14.023 1000 H THR 122 HN THR 122 -3.721 -2.555 -9.234 1001 HA THR 122 HA THR 122 -5.706 -1.778 -11.229 1002 HB THR 122 HB THR 122 -5.789 -4.587 -10.562 1003 HG1 THR 122 HG1 THR 122 -3.283 -4.074 -11.487 1004 1HG2 THR 122 HG23 THR 122 -4.911 -2.880 -12.885 1005 2HG2 THR 122 HG22 THR 122 -4.794 -4.638 -12.935 1006 3HG2 THR 122 HG21 THR 122 -6.366 -3.864 -12.743 1007 H ILE 123 HN ILE 123 -5.772 -3.320 -8.050 1008 HA ILE 123 HA ILE 123 -8.633 -3.721 -8.032 1009 HB ILE 123 HB ILE 123 -6.666 -3.578 -5.733 1010 1HG1 ILE 123 HG12 ILE 123 -6.290 -5.320 -7.583 1011 2HG1 ILE 123 HG11 ILE 123 -6.456 -5.948 -5.944 1012 1HG2 ILE 123 HG21 ILE 123 -9.575 -4.151 -5.945 1013 2HG2 ILE 123 HG23 ILE 123 -8.643 -5.238 -4.916 1014 3HG2 ILE 123 HG22 ILE 123 -8.651 -3.504 -4.589 1015 1HD1 ILE 123 HD13 ILE 123 -8.973 -5.641 -7.496 1016 2HD1 ILE 123 HD12 ILE 123 -7.879 -6.920 -8.022 1017 3HD1 ILE 123 HD11 ILE 123 -8.493 -6.911 -6.370 1018 H MET 124 HN MET 124 -6.529 -1.073 -7.014 1019 HA MET 124 HA MET 124 -8.739 0.247 -5.617 1020 1HB MET 124 HB2 MET 124 -5.895 0.605 -5.777 1021 2HB MET 124 HB1 MET 124 -6.687 2.128 -6.162 1022 1HG MET 124 HG2 MET 124 -7.287 2.436 -4.017 1023 2HG MET 124 HG1 MET 124 -8.000 0.829 -3.925 1024 1HE MET 124 HE2 MET 124 -5.804 3.205 -2.942 1025 2HE MET 124 HE1 MET 124 -5.911 2.379 -1.389 1026 3HE MET 124 HE3 MET 124 -4.354 2.524 -2.212 1027 NH1 ARG 125 NH2 ARG 125 -5.178 2.563 -15.247 1028 NH2 ARG 125 NH1 ARG 125 -4.660 4.717 -14.807 1029 H ARG 125 HN ARG 125 -7.174 0.530 -8.787 1030 HA ARG 125 HA ARG 125 -8.566 2.942 -9.501 1031 1HB ARG 125 HB2 ARG 125 -6.538 2.004 -10.687 1032 2HB ARG 125 HB1 ARG 125 -7.609 0.806 -11.415 1033 1HG ARG 125 HG2 ARG 125 -9.033 2.728 -12.246 1034 2HG ARG 125 HG1 ARG 125 -7.752 3.816 -11.714 1035 1HD ARG 125 HD2 ARG 125 -6.587 1.681 -13.245 1036 2HD ARG 125 HD1 ARG 125 -7.910 2.396 -14.168 1037 HE ARG 125 HE ARG 125 -6.498 4.579 -13.194 1038 1HH1 ARG 125 HH21 ARG 125 -5.735 1.750 -15.088 1039 2HH1 ARG 125 HH22 ARG 125 -4.445 2.536 -15.926 1040 1HH2 ARG 125 HH11 ARG 125 -4.823 5.564 -14.303 1041 2HH2 ARG 125 HH12 ARG 125 -3.930 4.673 -15.490 1042 H GLU 126 HN GLU 126 -9.264 -0.474 -10.261 1043 HA GLU 126 HA GLU 126 -11.869 0.320 -11.395 1044 1HB GLU 126 HB2 GLU 126 -10.044 -1.703 -11.939 1045 2HB GLU 126 HB1 GLU 126 -11.389 -2.540 -11.165 1046 1HG GLU 126 HG2 GLU 126 -12.880 -1.989 -12.840 1047 2HG GLU 126 HG1 GLU 126 -12.044 -0.487 -13.234 1048 H LYS 127 HN LYS 127 -10.706 -1.569 -8.594 1049 HA LYS 127 HA LYS 127 -13.487 -2.212 -7.893 1050 1HB LYS 127 HB2 LYS 127 -10.876 -3.284 -7.264 1051 2HB LYS 127 HB1 LYS 127 -11.850 -3.096 -5.807 1052 1HG LYS 127 HG2 LYS 127 -12.751 -5.092 -6.420 1053 2HG LYS 127 HG1 LYS 127 -13.677 -4.139 -7.580 1054 1HD LYS 127 HD2 LYS 127 -12.187 -4.625 -9.350 1055 2HD LYS 127 HD1 LYS 127 -10.914 -5.148 -8.248 1056 1HE LYS 127 HE2 LYS 127 -12.171 -7.136 -7.649 1057 2HE LYS 127 HE1 LYS 127 -13.561 -6.585 -8.585 1058 1HZ LYS 127 HZ2 LYS 127 -11.277 -6.555 -10.221 1059 2HZ LYS 127 HZ1 LYS 127 -11.386 -8.077 -9.474 1060 3HZ LYS 127 HZ3 LYS 127 -12.687 -7.488 -10.389 1061 OH TYR 128 OH TYR 128 -12.038 7.331 -6.877 1062 H TYR 128 HN TYR 128 -11.355 0.385 -6.967 1063 HA TYR 128 HA TYR 128 -12.552 0.593 -4.295 1064 1HB TYR 128 HB2 TYR 128 -10.944 2.102 -3.868 1065 2HB TYR 128 HB1 TYR 128 -10.260 1.628 -5.412 1066 HD1 TYR 128 HD2 TYR 128 -11.455 2.862 -7.531 1067 HD2 TYR 128 HD1 TYR 128 -11.332 4.350 -3.500 1068 HE1 TYR 128 HE2 TYR 128 -11.849 5.159 -8.369 1069 HE2 TYR 128 HE1 TYR 128 -11.733 6.648 -4.342 1070 HH TYR 128 HH TYR 128 -11.908 7.940 -6.147 1071 H SER 129 HN SER 129 -13.902 1.133 -7.262 1072 HA SER 129 HA SER 129 -15.292 3.631 -6.528 1073 1HB SER 129 HB2 SER 129 -16.136 2.057 -8.904 1074 2HB SER 129 HB1 SER 129 -15.878 3.792 -8.738 1075 HG SER 129 HG SER 129 -13.598 3.277 -8.620 1076 H LYS 130 HN LYS 130 -15.706 0.896 -5.119 1077 HA LYS 130 HA LYS 130 -18.645 0.685 -5.606 1078 1HB LYS 130 HB2 LYS 130 -16.604 -1.293 -5.314 1079 2HB LYS 130 HB1 LYS 130 -17.687 -1.421 -3.927 1080 1HG LYS 130 HG2 LYS 130 -19.606 -1.289 -5.645 1081 2HG LYS 130 HG1 LYS 130 -18.372 -1.624 -6.860 1082 1HD LYS 130 HD2 LYS 130 -17.710 -3.646 -5.484 1083 2HD LYS 130 HD1 LYS 130 -19.145 -3.358 -4.501 1084 1HE LYS 130 HE2 LYS 130 -20.257 -3.256 -6.963 1085 2HE LYS 130 HE1 LYS 130 -18.931 -4.373 -7.283 1086 1HZ LYS 130 HZ3 LYS 130 -20.513 -4.793 -4.861 1087 2HZ LYS 130 HZ2 LYS 130 -21.234 -5.192 -6.348 1088 3HZ LYS 130 HZ1 LYS 130 -19.775 -5.928 -5.883 1089 H CYS 131 HN CYS 131 -17.206 2.695 -3.890 1090 HA CYS 131 HA CYS 131 -18.049 1.860 -1.170 1091 1HB CYS 131 HB2 CYS 131 -15.904 2.922 -1.201 1092 2HB CYS 131 HB1 CYS 131 -16.492 4.235 -2.220 1093 H SER 132 HN SER 132 -18.931 4.057 -3.766 1094 HA SER 132 HA SER 132 -21.180 5.062 -2.071 1095 1HB SER 132 HB2 SER 132 -21.263 6.842 -3.981 1096 2HB SER 132 HB1 SER 132 -19.997 6.967 -2.763 1097 HG SER 132 HG SER 132 -19.733 5.619 -5.249 1098 H SER 133 HN SER 133 -22.855 3.655 -2.493 1099 HA SER 133 HA SER 133 -24.150 3.747 -5.059 1100 1HB SER 133 HB2 SER 133 -22.072 2.027 -5.167 1101 2HB SER 133 HB1 SER 133 -23.301 0.949 -4.513 1102 HG SER 133 HG SER 133 -23.772 0.813 -6.584 Start of MODEL 4 Raw file had 1102 H/Q atoms Start of MODEL 4 1 1H GLU 1 HT3 GLU 1 -23.706 20.656 7.206 2 2H GLU 1 HT2 GLU 1 -24.093 21.597 5.845 3 3H GLU 1 HT1 GLU 1 -25.324 21.043 6.877 4 HA GLU 1 HA GLU 1 -25.580 19.371 5.447 5 1HB GLU 1 HB2 GLU 1 -24.324 19.208 3.525 6 2HB GLU 1 HB1 GLU 1 -23.800 20.812 4.038 7 1HG GLU 1 HG2 GLU 1 -21.937 19.626 5.339 8 2HG GLU 1 HG1 GLU 1 -22.368 18.179 4.425 9 H ALA 2 HN ALA 2 -25.215 17.112 5.602 10 HA ALA 2 HA ALA 2 -23.020 16.318 7.477 11 1HB ALA 2 HB1 ALA 2 -25.842 16.045 7.793 12 2HB ALA 2 HB3 ALA 2 -25.174 14.431 7.551 13 3HB ALA 2 HB2 ALA 2 -24.569 15.449 8.859 14 H GLU 3 HN GLU 3 -21.554 15.396 6.075 15 HA GLU 3 HA GLU 3 -22.152 14.054 3.651 16 1HB GLU 3 HB2 GLU 3 -19.816 13.900 5.555 17 2HB GLU 3 HB1 GLU 3 -19.872 12.919 4.090 18 1HG GLU 3 HG2 GLU 3 -19.255 14.680 2.837 19 2HG GLU 3 HG1 GLU 3 -20.606 15.630 3.454 20 H ALA 4 HN ALA 4 -22.554 11.886 3.161 21 HA ALA 4 HA ALA 4 -22.974 10.081 5.511 22 1HB ALA 4 HB3 ALA 4 -25.011 11.037 4.078 23 2HB ALA 4 HB2 ALA 4 -24.574 9.697 3.019 24 3HB ALA 4 HB1 ALA 4 -25.016 9.385 4.698 25 H HIS 5 HN HIS 5 -21.328 10.492 2.527 26 HA HIS 5 HA HIS 5 -20.816 7.549 2.406 27 1HB HIS 5 HB2 HIS 5 -21.150 9.631 0.293 28 2HB HIS 5 HB1 HIS 5 -19.974 8.352 -0.008 29 HD1 HIS 5 HD1 HIS 5 -23.440 8.293 1.603 30 HD2 HIS 5 HD2 HIS 5 -21.303 6.400 -1.434 31 HE1 HIS 5 HE1 HIS 5 -24.970 6.512 0.653 32 H LYS 6 HN LYS 6 -18.931 7.259 3.525 33 HA LYS 6 HA LYS 6 -16.776 9.270 3.343 34 1HB LYS 6 HB2 LYS 6 -17.619 7.603 5.364 35 2HB LYS 6 HB1 LYS 6 -16.211 6.742 4.748 36 1HG LYS 6 HG2 LYS 6 -14.942 8.157 5.960 37 2HG LYS 6 HG1 LYS 6 -15.412 9.421 4.823 38 1HD LYS 6 HD2 LYS 6 -16.120 10.372 6.818 39 2HD LYS 6 HD1 LYS 6 -17.586 9.520 6.332 40 1HE LYS 6 HE2 LYS 6 -17.391 8.749 8.505 41 2HE LYS 6 HE1 LYS 6 -16.444 7.519 7.667 42 1HZ LYS 6 HZ2 LYS 6 -14.717 9.615 8.156 43 2HZ LYS 6 HZ1 LYS 6 -15.600 9.416 9.594 44 3HZ LYS 6 HZ3 LYS 6 -14.745 8.106 8.937 45 H CYS 7 HN CYS 7 -17.146 8.247 0.853 46 HA CYS 7 HA CYS 7 -14.828 6.385 0.554 47 1HB CYS 7 HB2 CYS 7 -16.667 5.018 0.011 48 2HB CYS 7 HB1 CYS 7 -17.520 6.334 -0.798 49 H ASP 8 HN ASP 8 -16.722 9.010 -0.902 50 HA ASP 8 HA ASP 8 -15.016 9.333 -3.201 51 1HB ASP 8 HB2 ASP 8 -17.346 10.173 -3.099 52 2HB ASP 8 HB1 ASP 8 -16.857 11.342 -1.872 53 H ILE 9 HN ILE 9 -14.801 10.479 0.104 54 HA ILE 9 HA ILE 9 -12.803 12.516 -0.652 55 HB ILE 9 HB ILE 9 -14.077 11.730 1.969 56 1HG1 ILE 9 HG12 ILE 9 -14.043 14.391 0.526 57 2HG1 ILE 9 HG11 ILE 9 -15.271 13.164 0.209 58 1HG2 ILE 9 HG22 ILE 9 -11.771 13.601 1.399 59 2HG2 ILE 9 HG21 ILE 9 -12.794 13.785 2.824 60 3HG2 ILE 9 HG23 ILE 9 -11.855 12.309 2.596 61 1HD1 ILE 9 HD13 ILE 9 -15.404 13.195 2.892 62 2HD1 ILE 9 HD12 ILE 9 -14.854 14.850 2.630 63 3HD1 ILE 9 HD11 ILE 9 -16.357 14.293 1.894 64 H THR 10 HN THR 10 -12.699 10.136 2.000 65 HA THR 10 HA THR 10 -9.833 10.064 2.007 66 HB THR 10 HB THR 10 -11.731 8.037 3.206 67 HG1 THR 10 HG1 THR 10 -12.061 9.437 4.767 68 1HG2 THR 10 HG22 THR 10 -8.903 8.209 3.114 69 2HG2 THR 10 HG21 THR 10 -9.384 8.671 4.747 70 3HG2 THR 10 HG23 THR 10 -9.881 7.112 4.089 71 H LEU 11 HN LEU 11 -12.219 7.781 0.634 72 HA LEU 11 HA LEU 11 -10.182 5.849 -0.065 73 1HB LEU 11 HB2 LEU 11 -13.029 6.002 -0.139 74 2HB LEU 11 HB1 LEU 11 -12.470 5.545 -1.745 75 HG LEU 11 HG LEU 11 -11.225 3.668 -0.848 76 1HD1 LEU 11 HD12 LEU 11 -11.860 4.983 1.781 77 2HD1 LEU 11 HD11 LEU 11 -11.627 3.235 1.722 78 3HD1 LEU 11 HD13 LEU 11 -10.330 4.315 1.210 79 1HD2 LEU 11 HD22 LEU 11 -14.015 3.908 0.309 80 2HD2 LEU 11 HD21 LEU 11 -13.560 3.190 -1.236 81 3HD2 LEU 11 HD23 LEU 11 -13.100 2.401 0.273 82 H GLN 12 HN GLN 12 -11.695 8.528 -1.862 83 HA GLN 12 HA GLN 12 -10.527 7.735 -4.390 84 1HB GLN 12 HB2 GLN 12 -11.722 9.462 -5.225 85 2HB GLN 12 HB1 GLN 12 -12.383 9.639 -3.603 86 1HG GLN 12 HG2 GLN 12 -10.547 11.219 -3.045 87 2HG GLN 12 HG1 GLN 12 -9.938 11.073 -4.696 88 1HE2 GLN 12 HE22 GLN 12 -13.053 12.647 -5.990 89 2HE2 GLN 12 HE21 GLN 12 -12.257 11.167 -6.230 90 H GLU 13 HN GLU 13 -9.489 9.890 -1.769 91 HA GLU 13 HA GLU 13 -7.131 10.825 -3.156 92 1HB GLU 13 HB2 GLU 13 -8.252 11.002 -0.432 93 2HB GLU 13 HB1 GLU 13 -6.489 11.014 -0.494 94 1HG GLU 13 HG2 GLU 13 -6.721 12.778 -2.343 95 2HG GLU 13 HG1 GLU 13 -8.411 12.908 -1.854 96 H ILE 14 HN ILE 14 -7.883 8.049 -1.133 97 HA ILE 14 HA ILE 14 -5.142 7.172 -0.811 98 HB ILE 14 HB ILE 14 -7.789 6.272 -0.032 99 1HG1 ILE 14 HG12 ILE 14 -5.072 5.383 0.956 100 2HG1 ILE 14 HG11 ILE 14 -5.787 6.936 1.388 101 1HG2 ILE 14 HG21 ILE 14 -5.842 4.167 -1.036 102 2HG2 ILE 14 HG23 ILE 14 -7.245 3.832 -0.024 103 3HG2 ILE 14 HG22 ILE 14 -7.470 4.469 -1.651 104 1HD1 ILE 14 HD11 ILE 14 -7.825 5.652 2.187 105 2HD1 ILE 14 HD13 ILE 14 -6.877 4.178 1.987 106 3HD1 ILE 14 HD12 ILE 14 -6.364 5.407 3.140 107 H ILE 15 HN ILE 15 -7.564 6.836 -3.305 108 HA ILE 15 HA ILE 15 -6.366 4.556 -4.619 109 HB ILE 15 HB ILE 15 -8.316 6.695 -5.490 110 1HG1 ILE 15 HG12 ILE 15 -8.839 3.747 -5.434 111 2HG1 ILE 15 HG11 ILE 15 -8.761 4.610 -3.897 112 1HG2 ILE 15 HG22 ILE 15 -6.939 4.560 -7.089 113 2HG2 ILE 15 HG21 ILE 15 -8.610 4.981 -7.465 114 3HG2 ILE 15 HG23 ILE 15 -7.349 6.210 -7.555 115 1HD1 ILE 15 HD11 ILE 15 -10.308 6.209 -5.659 116 2HD1 ILE 15 HD13 ILE 15 -10.905 4.556 -5.808 117 3HD1 ILE 15 HD12 ILE 15 -10.861 5.338 -4.227 118 H LYS 16 HN LYS 16 -6.153 8.085 -5.081 119 HA LYS 16 HA LYS 16 -4.422 8.002 -7.357 120 1HB LYS 16 HB2 LYS 16 -4.731 10.093 -5.185 121 2HB LYS 16 HB1 LYS 16 -3.811 10.336 -6.671 122 1HG LYS 16 HG2 LYS 16 -5.823 9.932 -8.012 123 2HG LYS 16 HG1 LYS 16 -6.756 9.622 -6.547 124 1HD LYS 16 HD2 LYS 16 -5.546 12.073 -6.041 125 2HD LYS 16 HD1 LYS 16 -5.983 12.172 -7.746 126 1HE LYS 16 HE2 LYS 16 -8.290 11.610 -7.245 127 2HE LYS 16 HE1 LYS 16 -7.890 11.317 -5.552 128 1HZ LYS 16 HZ2 LYS 16 -6.937 13.812 -5.996 129 2HZ LYS 16 HZ1 LYS 16 -8.365 13.797 -6.917 130 3HZ LYS 16 HZ3 LYS 16 -8.424 13.445 -5.259 131 H THR 17 HN THR 17 -3.590 8.640 -3.939 132 HA THR 17 HA THR 17 -0.786 8.564 -4.237 133 HB THR 17 HB THR 17 -2.366 7.556 -1.855 134 HG1 THR 17 HG1 THR 17 -1.753 9.892 -1.285 135 1HG2 THR 17 HG22 THR 17 0.360 7.525 -2.323 136 2HG2 THR 17 HG21 THR 17 0.130 9.026 -1.428 137 3HG2 THR 17 HG23 THR 17 -0.404 7.495 -0.735 138 H LEU 18 HN LEU 18 -3.104 5.933 -3.924 139 HA LEU 18 HA LEU 18 -1.353 3.794 -3.373 140 1HB LEU 18 HB2 LEU 18 -3.806 3.559 -3.402 141 2HB LEU 18 HB1 LEU 18 -3.823 3.821 -5.141 142 HG LEU 18 HG LEU 18 -3.900 1.370 -4.175 143 1HD1 LEU 18 HD13 LEU 18 -3.356 2.425 -6.606 144 2HD1 LEU 18 HD12 LEU 18 -1.837 1.584 -6.295 145 3HD1 LEU 18 HD11 LEU 18 -3.357 0.692 -6.283 146 1HD2 LEU 18 HD21 LEU 18 -1.729 1.894 -2.843 147 2HD2 LEU 18 HD23 LEU 18 -1.821 0.356 -3.700 148 3HD2 LEU 18 HD22 LEU 18 -0.907 1.695 -4.390 149 H ASN 19 HN ASN 19 -2.494 4.846 -6.612 150 HA ASN 19 HA ASN 19 -0.655 3.200 -8.056 151 1HB ASN 19 HB2 ASN 19 -2.738 4.435 -8.935 152 2HB ASN 19 HB1 ASN 19 -1.691 5.850 -9.064 153 1HD2 ASN 19 HD22 ASN 19 -0.771 4.687 -12.271 154 2HD2 ASN 19 HD21 ASN 19 -1.470 5.936 -11.358 155 H SER 20 HN SER 20 -0.215 6.252 -6.425 156 HA SER 20 HA SER 20 2.067 7.168 -7.907 157 1HB SER 20 HB2 SER 20 0.676 8.503 -6.235 158 2HB SER 20 HB1 SER 20 1.562 7.662 -4.967 159 HG SER 20 HG SER 20 2.955 8.889 -7.075 160 H LEU 21 HN LEU 21 1.728 5.032 -5.088 161 HA LEU 21 HA LEU 21 4.521 4.829 -4.502 162 1HB LEU 21 HB2 LEU 21 2.092 3.211 -3.859 163 2HB LEU 21 HB1 LEU 21 3.671 2.464 -3.608 164 HG LEU 21 HG LEU 21 3.483 5.237 -2.633 165 1HD1 LEU 21 HD13 LEU 21 1.407 3.316 -1.962 166 2HD1 LEU 21 HD12 LEU 21 2.330 3.782 -0.534 167 3HD1 LEU 21 HD11 LEU 21 1.539 5.017 -1.514 168 1HD2 LEU 21 HD22 LEU 21 5.090 2.994 -2.258 169 2HD2 LEU 21 HD21 LEU 21 5.140 4.472 -1.295 170 3HD2 LEU 21 HD23 LEU 21 4.170 3.100 -0.757 171 H THR 22 HN THR 22 2.712 3.589 -7.163 172 HA THR 22 HA THR 22 4.616 1.388 -7.662 173 HB THR 22 HB THR 22 3.097 0.602 -9.221 174 HG1 THR 22 HG1 THR 22 1.563 2.698 -9.801 175 1HG2 THR 22 HG22 THR 22 2.016 1.128 -6.915 176 2HG2 THR 22 HG21 THR 22 1.169 2.410 -7.781 177 3HG2 THR 22 HG23 THR 22 0.954 0.727 -8.266 178 H GLU 23 HN GLU 23 5.390 4.358 -7.795 179 HA GLU 23 HA GLU 23 6.000 4.703 -10.656 180 1HB GLU 23 HB2 GLU 23 5.405 6.583 -8.941 181 2HB GLU 23 HB1 GLU 23 7.093 6.439 -8.448 182 1HG GLU 23 HG2 GLU 23 6.329 6.758 -11.350 183 2HG GLU 23 HG1 GLU 23 6.545 8.158 -10.299 184 H GLN 24 HN GLN 24 7.626 3.839 -7.654 185 HA GLN 24 HA GLN 24 10.149 3.393 -9.203 186 1HB GLN 24 HB2 GLN 24 10.317 4.957 -7.266 187 2HB GLN 24 HB1 GLN 24 9.781 3.654 -6.204 188 1HG GLN 24 HG2 GLN 24 11.871 2.827 -6.101 189 2HG GLN 24 HG1 GLN 24 11.937 2.706 -7.860 190 1HE2 GLN 24 HE22 GLN 24 14.463 5.231 -6.441 191 2HE2 GLN 24 HE21 GLN 24 14.050 3.678 -5.893 192 H LYS 25 HN LYS 25 8.502 1.468 -9.744 193 HA LYS 25 HA LYS 25 8.633 -0.668 -7.714 194 1HB LYS 25 HB2 LYS 25 7.277 -1.953 -9.393 195 2HB LYS 25 HB1 LYS 25 6.527 -0.437 -8.894 196 1HG LYS 25 HG2 LYS 25 6.687 0.456 -10.970 197 2HG LYS 25 HG1 LYS 25 8.332 -0.138 -11.190 198 1HD LYS 25 HD2 LYS 25 7.468 -2.383 -11.707 199 2HD LYS 25 HD1 LYS 25 5.817 -1.812 -11.459 200 1HE LYS 25 HE2 LYS 25 7.742 -0.724 -13.533 201 2HE LYS 25 HE1 LYS 25 6.420 -1.845 -13.865 202 1HZ LYS 25 HZ2 LYS 25 5.077 0.017 -12.596 203 2HZ LYS 25 HZ1 LYS 25 6.329 0.997 -13.195 204 3HZ LYS 25 HZ3 LYS 25 5.366 0.105 -14.269 205 H THR 26 HN THR 26 11.139 -0.486 -8.085 206 HA THR 26 HA THR 26 11.904 -2.787 -9.712 207 HB THR 26 HB THR 26 13.473 -0.361 -10.428 208 HG1 THR 26 HG1 THR 26 11.130 -0.928 -11.859 209 1HG2 THR 26 HG21 THR 26 13.269 -3.040 -11.245 210 2HG2 THR 26 HG23 THR 26 12.587 -2.096 -12.570 211 3HG2 THR 26 HG22 THR 26 14.226 -1.769 -12.009 212 H LEU 27 HN LEU 27 13.122 0.093 -7.986 213 HA LEU 27 HA LEU 27 15.455 -1.451 -7.040 214 1HB LEU 27 HB2 LEU 27 14.759 1.359 -7.338 215 2HB LEU 27 HB1 LEU 27 15.413 1.027 -5.734 216 HG LEU 27 HG LEU 27 17.135 -0.412 -7.277 217 1HD1 LEU 27 HD11 LEU 27 15.710 1.169 -9.123 218 2HD1 LEU 27 HD13 LEU 27 17.269 1.968 -8.921 219 3HD1 LEU 27 HD12 LEU 27 17.203 0.279 -9.420 220 1HD2 LEU 27 HD21 LEU 27 17.340 1.617 -5.540 221 2HD2 LEU 27 HD23 LEU 27 18.695 1.131 -6.559 222 3HD2 LEU 27 HD22 LEU 27 17.697 2.511 -7.018 223 H CYS 28 HN CYS 28 12.567 0.138 -5.699 224 HA CYS 28 HA CYS 28 13.186 -0.909 -3.019 225 1HB CYS 28 HB2 CYS 28 11.570 1.201 -4.061 226 2HB CYS 28 HB1 CYS 28 10.517 0.103 -3.165 227 H THR 29 HN THR 29 11.559 -2.054 -5.817 228 HA THR 29 HA THR 29 9.756 -3.797 -4.262 229 HB THR 29 HB THR 29 9.137 -4.655 -6.577 230 HG1 THR 29 HG1 THR 29 10.465 -4.094 -8.084 231 1HG2 THR 29 HG23 THR 29 8.906 -1.693 -5.981 232 2HG2 THR 29 HG22 THR 29 7.932 -2.553 -7.174 233 3HG2 THR 29 HG21 THR 29 7.792 -2.957 -5.463 234 H GLU 30 HN GLU 30 12.950 -3.923 -4.627 235 HA GLU 30 HA GLU 30 13.166 -6.726 -5.543 236 1HB GLU 30 HB2 GLU 30 15.003 -4.449 -5.153 237 2HB GLU 30 HB1 GLU 30 15.668 -5.998 -4.642 238 1HG GLU 30 HG2 GLU 30 14.485 -6.667 -7.027 239 2HG GLU 30 HG1 GLU 30 15.049 -5.028 -7.351 240 H LEU 31 HN LEU 31 11.606 -6.823 -3.433 241 HA LEU 31 HA LEU 31 13.153 -8.273 -1.455 242 1HB LEU 31 HB2 LEU 31 12.142 -6.801 0.442 243 2HB LEU 31 HB1 LEU 31 13.590 -6.226 -0.379 244 HG LEU 31 HG LEU 31 11.187 -5.372 -1.782 245 1HD1 LEU 31 HD12 LEU 31 10.203 -5.498 0.486 246 2HD1 LEU 31 HD11 LEU 31 11.512 -4.487 1.098 247 3HD1 LEU 31 HD13 LEU 31 10.358 -3.828 -0.062 248 1HD2 LEU 31 HD21 LEU 31 13.758 -4.302 -0.780 249 2HD2 LEU 31 HD23 LEU 31 12.934 -4.000 -2.309 250 3HD2 LEU 31 HD22 LEU 31 12.447 -3.127 -0.857 251 H THR 32 HN THR 32 11.800 -9.989 -1.776 252 HA THR 32 HA THR 32 9.092 -10.078 -2.316 253 HB THR 32 HB THR 32 9.094 -12.314 -1.187 254 HG1 THR 32 HG1 THR 32 10.450 -12.004 0.505 255 1HG2 THR 32 HG22 THR 32 10.677 -11.352 -3.370 256 2HG2 THR 32 HG21 THR 32 11.583 -12.623 -2.546 257 3HG2 THR 32 HG23 THR 32 9.964 -12.952 -3.161 258 H VAL 33 HN VAL 33 7.179 -10.184 -1.106 259 HA VAL 33 HA VAL 33 7.335 -9.550 1.790 260 HB VAL 33 HB VAL 33 6.046 -7.588 1.634 261 1HG1 VAL 33 HG12 VAL 33 8.398 -7.438 0.622 262 2HG1 VAL 33 HG11 VAL 33 7.606 -7.453 -0.955 263 3HG1 VAL 33 HG13 VAL 33 7.278 -6.148 0.186 264 1HG2 VAL 33 HG22 VAL 33 5.293 -8.671 -1.080 265 2HG2 VAL 33 HG21 VAL 33 4.236 -8.222 0.258 266 3HG2 VAL 33 HG23 VAL 33 5.043 -6.970 -0.687 267 H THR 34 HN THR 34 5.038 -9.699 2.737 268 HA THR 34 HA THR 34 3.911 -12.219 2.115 269 HB THR 34 HB THR 34 3.123 -9.878 3.759 270 HG1 THR 34 HG1 THR 34 4.189 -11.902 4.405 271 1HG2 THR 34 HG23 THR 34 1.098 -11.833 2.657 272 2HG2 THR 34 HG22 THR 34 0.841 -10.936 4.151 273 3HG2 THR 34 HG21 THR 34 1.031 -10.071 2.628 274 H ASP 35 HN ASP 35 2.217 -12.865 0.834 275 HA ASP 35 HA ASP 35 1.169 -10.833 -1.083 276 1HB ASP 35 HB2 ASP 35 1.389 -12.392 -2.705 277 2HB ASP 35 HB1 ASP 35 2.295 -13.359 -1.541 278 H ILE 36 HN ILE 36 -0.991 -10.356 -0.948 279 HA ILE 36 HA ILE 36 -2.611 -12.068 0.885 280 HB ILE 36 HB ILE 36 -3.644 -10.165 1.726 281 1HG1 ILE 36 HG12 ILE 36 -2.859 -8.827 -0.882 282 2HG1 ILE 36 HG11 ILE 36 -4.488 -9.179 -0.307 283 1HG2 ILE 36 HG22 ILE 36 -0.960 -10.213 1.790 284 2HG2 ILE 36 HG21 ILE 36 -1.178 -8.690 0.927 285 3HG2 ILE 36 HG23 ILE 36 -1.890 -8.909 2.527 286 1HD1 ILE 36 HD13 ILE 36 -3.458 -7.687 1.764 287 2HD1 ILE 36 HD12 ILE 36 -2.725 -6.924 0.353 288 3HD1 ILE 36 HD11 ILE 36 -4.480 -7.053 0.474 289 H PHE 37 HN PHE 37 -2.202 -12.123 -2.189 290 HA PHE 37 HA PHE 37 -5.117 -12.031 -2.858 291 1HB PHE 37 HB2 PHE 37 -2.733 -11.522 -4.666 292 2HB PHE 37 HB1 PHE 37 -4.407 -11.612 -5.213 293 HD1 PHE 37 HD2 PHE 37 -6.096 -9.959 -4.313 294 HD2 PHE 37 HD1 PHE 37 -1.872 -9.550 -3.643 295 HE1 PHE 37 HE2 PHE 37 -6.422 -7.577 -3.710 296 HE2 PHE 37 HE1 PHE 37 -2.200 -7.166 -3.041 297 HZ PHE 37 HZ PHE 37 -4.475 -6.181 -3.075 298 H ALA 38 HN ALA 38 -3.504 -14.252 -1.730 299 HA ALA 38 HA ALA 38 -3.462 -16.137 -4.037 300 1HB ALA 38 HB1 ALA 38 -1.414 -15.998 -2.623 301 2HB ALA 38 HB3 ALA 38 -2.371 -16.508 -1.233 302 3HB ALA 38 HB2 ALA 38 -2.141 -17.604 -2.595 303 H ALA 39 HN ALA 39 -4.302 -16.358 -0.569 304 HA ALA 39 HA ALA 39 -6.732 -17.895 -1.398 305 1HB ALA 39 HB2 ALA 39 -4.827 -19.219 -0.277 306 2HB ALA 39 HB1 ALA 39 -5.246 -18.341 1.194 307 3HB ALA 39 HB3 ALA 39 -6.437 -19.389 0.423 308 H SER 40 HN SER 40 -7.974 -15.919 -1.269 309 HA SER 40 HA SER 40 -9.187 -15.442 1.270 310 1HB SER 40 HB2 SER 40 -6.864 -13.728 0.553 311 2HB SER 40 HB1 SER 40 -8.283 -12.900 1.187 312 HG SER 40 HG SER 40 -8.195 -14.601 2.881 313 H LYS 41 HN LYS 41 -10.670 -15.902 -0.707 314 HA LYS 41 HA LYS 41 -11.268 -13.405 -2.215 315 1HB LYS 41 HB2 LYS 41 -12.650 -16.043 -2.657 316 2HB LYS 41 HB1 LYS 41 -12.349 -14.743 -3.811 317 1HG LYS 41 HG2 LYS 41 -9.896 -15.233 -3.643 318 2HG LYS 41 HG1 LYS 41 -10.285 -16.620 -2.623 319 1HD LYS 41 HD2 LYS 41 -11.141 -17.842 -4.370 320 2HD LYS 41 HD1 LYS 41 -11.738 -16.413 -5.215 321 1HE LYS 41 HE2 LYS 41 -9.904 -17.268 -6.513 322 2HE LYS 41 HE1 LYS 41 -9.318 -15.819 -5.697 323 1HZ LYS 41 HZ2 LYS 41 -8.758 -17.670 -3.877 324 2HZ LYS 41 HZ1 LYS 41 -8.590 -18.597 -5.289 325 3HZ LYS 41 HZ3 LYS 41 -7.665 -17.192 -5.085 326 H ASP 42 HN ASP 42 -11.931 -13.604 0.611 327 HA ASP 42 HA ASP 42 -14.832 -13.096 0.374 328 1HB ASP 42 HB2 ASP 42 -14.182 -15.590 1.112 329 2HB ASP 42 HB1 ASP 42 -14.026 -14.805 2.685 330 H THR 43 HN THR 43 -12.818 -11.221 0.759 331 HA THR 43 HA THR 43 -13.154 -10.528 3.652 332 HB THR 43 HB THR 43 -11.019 -9.199 3.347 333 HG1 THR 43 HG1 THR 43 -11.267 -9.303 0.982 334 1HG2 THR 43 HG23 THR 43 -11.366 -12.094 3.492 335 2HG2 THR 43 HG22 THR 43 -9.784 -11.641 2.861 336 3HG2 THR 43 HG21 THR 43 -10.309 -11.043 4.434 337 H THR 44 HN THR 44 -13.668 -8.332 4.106 338 HA THR 44 HA THR 44 -14.999 -6.944 1.879 339 HB THR 44 HB THR 44 -14.873 -5.470 4.397 340 HG1 THR 44 HG1 THR 44 -16.312 -7.852 4.582 341 1HG2 THR 44 HG22 THR 44 -16.515 -5.316 2.421 342 2HG2 THR 44 HG21 THR 44 -17.260 -6.769 3.087 343 3HG2 THR 44 HG23 THR 44 -17.209 -5.286 4.042 344 H GLU 45 HN GLU 45 -14.616 -4.279 2.393 345 HA GLU 45 HA GLU 45 -11.893 -3.918 1.407 346 1HB GLU 45 HB2 GLU 45 -12.502 -1.469 1.419 347 2HB GLU 45 HB1 GLU 45 -13.582 -2.480 0.462 348 1HG GLU 45 HG2 GLU 45 -14.575 -2.444 3.140 349 2HG GLU 45 HG1 GLU 45 -14.242 -0.781 2.666 350 H LYS 46 HN LYS 46 -13.559 -3.428 4.492 351 HA LYS 46 HA LYS 46 -11.342 -1.925 5.629 352 1HB LYS 46 HB2 LYS 46 -12.537 -2.062 7.711 353 2HB LYS 46 HB1 LYS 46 -13.731 -1.801 6.439 354 1HG LYS 46 HG2 LYS 46 -14.782 -3.581 7.402 355 2HG LYS 46 HG1 LYS 46 -13.622 -4.526 6.471 356 1HD LYS 46 HD2 LYS 46 -12.553 -5.218 8.336 357 2HD LYS 46 HD1 LYS 46 -12.492 -3.582 8.994 358 1HE LYS 46 HE2 LYS 46 -13.834 -4.958 10.481 359 2HE LYS 46 HE1 LYS 46 -14.900 -3.822 9.655 360 1HZ LYS 46 HZ3 LYS 46 -14.809 -5.964 7.983 361 2HZ LYS 46 HZ2 LYS 46 -14.831 -6.682 9.523 362 3HZ LYS 46 HZ1 LYS 46 -16.064 -5.605 9.065 363 H GLU 47 HN GLU 47 -12.197 -5.315 5.349 364 HA GLU 47 HA GLU 47 -10.272 -6.221 7.339 365 1HB GLU 47 HB2 GLU 47 -11.757 -7.650 5.115 366 2HB GLU 47 HB1 GLU 47 -10.682 -8.470 6.249 367 1HG GLU 47 HG2 GLU 47 -12.143 -7.228 8.062 368 2HG GLU 47 HG1 GLU 47 -13.332 -7.161 6.760 369 H THR 48 HN THR 48 -10.355 -6.214 3.766 370 HA THR 48 HA THR 48 -7.632 -7.140 3.492 371 HB THR 48 HB THR 48 -8.980 -5.479 1.387 372 HG1 THR 48 HG1 THR 48 -10.388 -7.064 0.955 373 1HG2 THR 48 HG21 THR 48 -6.730 -7.159 1.543 374 2HG2 THR 48 HG23 THR 48 -7.935 -8.069 0.633 375 3HG2 THR 48 HG22 THR 48 -7.438 -6.469 0.082 376 H PHE 49 HN PHE 49 -9.024 -4.032 4.182 377 HA PHE 49 HA PHE 49 -6.804 -2.455 3.166 378 1HB PHE 49 HB2 PHE 49 -9.250 -1.969 4.800 379 2HB PHE 49 HB1 PHE 49 -7.930 -0.816 4.977 380 HD1 PHE 49 HD1 PHE 49 -8.716 -2.733 1.890 381 HD2 PHE 49 HD2 PHE 49 -8.910 1.075 3.866 382 HE1 PHE 49 HE1 PHE 49 -9.411 -1.665 -0.235 383 HE2 PHE 49 HE2 PHE 49 -9.596 2.144 1.737 384 HZ PHE 49 HZ PHE 49 -9.854 0.770 -0.311 385 H CYS 50 HN CYS 50 -7.727 -3.758 6.362 386 HA CYS 50 HA CYS 50 -5.434 -2.570 7.705 387 1HB CYS 50 HB2 CYS 50 -7.439 -3.165 8.983 388 2HB CYS 50 HB1 CYS 50 -7.246 -4.860 8.534 389 NH1 ARG 51 NH2 ARG 51 -6.906 -12.555 4.971 390 NH2 ARG 51 NH1 ARG 51 -5.972 -13.637 6.721 391 H ARG 51 HN ARG 51 -6.095 -5.675 6.141 392 HA ARG 51 HA ARG 51 -3.765 -7.046 7.117 393 1HB ARG 51 HB2 ARG 51 -5.870 -7.524 5.176 394 2HB ARG 51 HB1 ARG 51 -4.307 -8.029 4.535 395 1HG ARG 51 HG2 ARG 51 -3.897 -9.324 6.618 396 2HG ARG 51 HG1 ARG 51 -5.501 -8.867 7.194 397 1HD ARG 51 HD2 ARG 51 -6.560 -10.014 5.337 398 2HD ARG 51 HD1 ARG 51 -4.995 -10.341 4.594 399 HE ARG 51 HE ARG 51 -4.809 -11.512 7.103 400 1HH1 ARG 51 HH21 ARG 51 -7.014 -11.738 4.407 401 2HH1 ARG 51 HH22 ARG 51 -7.421 -13.382 4.747 402 1HH2 ARG 51 HH11 ARG 51 -5.356 -13.647 7.508 403 2HH2 ARG 51 HH12 ARG 51 -6.493 -14.457 6.483 404 H ALA 52 HN ALA 52 -4.368 -5.392 4.001 405 HA ALA 52 HA ALA 52 -1.680 -5.614 3.059 406 1HB ALA 52 HB2 ALA 52 -4.092 -4.066 2.329 407 2HB ALA 52 HB1 ALA 52 -2.561 -3.313 1.882 408 3HB ALA 52 HB3 ALA 52 -2.954 -4.929 1.295 409 H ALA 53 HN ALA 53 -3.252 -3.389 5.272 410 HA ALA 53 HA ALA 53 -1.203 -1.358 5.223 411 1HB ALA 53 HB3 ALA 53 -3.587 -1.990 6.829 412 2HB ALA 53 HB2 ALA 53 -2.289 -1.244 7.763 413 3HB ALA 53 HB1 ALA 53 -2.944 -0.421 6.346 414 H THR 54 HN THR 54 -1.624 -4.393 6.959 415 HA THR 54 HA THR 54 0.472 -3.998 8.886 416 HB THR 54 HB THR 54 -0.941 -6.389 7.734 417 HG1 THR 54 HG1 THR 54 -1.865 -5.300 9.462 418 1HG2 THR 54 HG22 THR 54 1.614 -6.400 9.346 419 2HG2 THR 54 HG21 THR 54 0.501 -7.768 9.338 420 3HG2 THR 54 HG23 THR 54 1.274 -7.252 7.839 421 H VAL 55 HN VAL 55 0.371 -5.430 5.632 422 HA VAL 55 HA VAL 55 3.173 -6.089 5.538 423 HB VAL 55 HB VAL 55 1.170 -5.522 3.329 424 1HG1 VAL 55 HG11 VAL 55 3.983 -6.658 3.197 425 2HG1 VAL 55 HG13 VAL 55 2.844 -6.628 1.852 426 3HG1 VAL 55 HG12 VAL 55 3.452 -5.116 2.525 427 1HG2 VAL 55 HG23 VAL 55 1.891 -7.849 4.986 428 2HG2 VAL 55 HG22 VAL 55 0.436 -7.560 4.031 429 3HG2 VAL 55 HG21 VAL 55 1.892 -8.186 3.256 430 H LEU 56 HN LEU 56 1.346 -3.148 5.052 431 HA LEU 56 HA LEU 56 3.491 -1.703 3.714 432 1HB LEU 56 HB2 LEU 56 0.955 -0.762 5.090 433 2HB LEU 56 HB1 LEU 56 2.050 0.293 4.198 434 HG LEU 56 HG LEU 56 1.003 -2.183 2.867 435 1HD1 LEU 56 HD13 LEU 56 -0.591 0.114 3.757 436 2HD1 LEU 56 HD12 LEU 56 -0.683 -0.159 2.018 437 3HD1 LEU 56 HD11 LEU 56 -1.123 -1.449 3.136 438 1HD2 LEU 56 HD21 LEU 56 1.850 0.585 1.978 439 2HD2 LEU 56 HD23 LEU 56 2.711 -0.929 1.707 440 3HD2 LEU 56 HD22 LEU 56 1.177 -0.629 0.889 441 NH1 ARG 57 NH2 ARG 57 2.072 -0.762 14.152 442 NH2 ARG 57 NH1 ARG 57 3.869 0.452 14.779 443 H ARG 57 HN ARG 57 2.640 -2.444 7.003 444 HA ARG 57 HA ARG 57 4.069 -0.248 8.232 445 1HB ARG 57 HB2 ARG 57 2.412 -1.364 9.566 446 2HB ARG 57 HB1 ARG 57 3.123 -2.944 9.243 447 1HG ARG 57 HG2 ARG 57 4.916 -2.586 10.685 448 2HG ARG 57 HG1 ARG 57 4.797 -0.829 10.559 449 1HD ARG 57 HD2 ARG 57 2.379 -1.368 11.645 450 2HD ARG 57 HD1 ARG 57 3.308 -2.706 12.318 451 HE ARG 57 HE ARG 57 4.905 -0.480 12.762 452 1HH1 ARG 57 HH21 ARG 57 1.622 -1.393 13.522 453 2HH1 ARG 57 HH22 ARG 57 1.578 -0.427 14.955 454 1HH2 ARG 57 HH11 ARG 57 4.810 0.756 14.627 455 2HH2 ARG 57 HH12 ARG 57 3.362 0.778 15.577 456 H GLN 58 HN GLN 58 4.823 -3.685 7.608 457 HA GLN 58 HA GLN 58 7.563 -3.418 8.545 458 1HB GLN 58 HB2 GLN 58 6.545 -5.606 8.622 459 2HB GLN 58 HB1 GLN 58 6.171 -5.551 6.899 460 1HG GLN 58 HG2 GLN 58 8.401 -5.851 6.269 461 2HG GLN 58 HG1 GLN 58 9.019 -5.251 7.809 462 1HE2 GLN 58 HE22 GLN 58 9.408 -8.941 7.900 463 2HE2 GLN 58 HE21 GLN 58 10.062 -7.664 6.995 464 H PHE 59 HN PHE 59 5.933 -2.874 5.503 465 HA PHE 59 HA PHE 59 8.256 -3.069 3.802 466 1HB PHE 59 HB2 PHE 59 6.013 -3.194 2.857 467 2HB PHE 59 HB1 PHE 59 5.632 -1.584 3.465 468 HD1 PHE 59 HD1 PHE 59 8.842 -2.683 1.931 469 HD2 PHE 59 HD2 PHE 59 5.237 -0.400 1.429 470 HE1 PHE 59 HE1 PHE 59 9.759 -1.694 -0.149 471 HE2 PHE 59 HE2 PHE 59 6.157 0.590 -0.650 472 HZ PHE 59 HZ PHE 59 8.417 -0.057 -1.439 473 OH TYR 60 OH TYR 60 5.937 3.778 10.698 474 H TYR 60 HN TYR 60 6.606 -0.299 5.329 475 HA TYR 60 HA TYR 60 8.778 1.505 4.476 476 1HB TYR 60 HB2 TYR 60 7.257 3.159 4.736 477 2HB TYR 60 HB1 TYR 60 6.072 1.858 4.872 478 HD1 TYR 60 HD2 TYR 60 5.621 0.871 7.202 479 HD2 TYR 60 HD1 TYR 60 7.702 4.576 6.572 480 HE1 TYR 60 HE2 TYR 60 5.174 1.522 9.553 481 HE2 TYR 60 HE1 TYR 60 7.255 5.226 8.924 482 HH TYR 60 HH TYR 60 5.951 4.737 10.749 483 H SER 61 HN SER 61 8.323 -0.578 7.095 484 HA SER 61 HA SER 61 9.480 1.244 9.095 485 1HB SER 61 HB2 SER 61 8.480 -1.589 9.127 486 2HB SER 61 HB1 SER 61 9.497 -1.001 10.440 487 HG SER 61 HG SER 61 7.980 0.762 10.623 488 H HIS 62 HN HIS 62 10.477 -1.807 7.485 489 HA HIS 62 HA HIS 62 13.212 -1.435 8.535 490 1HB HIS 62 HB2 HIS 62 12.114 -3.595 6.713 491 2HB HIS 62 HB1 HIS 62 13.668 -3.622 7.548 492 HD1 HIS 62 HD1 HIS 62 12.287 -2.283 10.197 493 HD2 HIS 62 HD2 HIS 62 11.211 -5.832 8.294 494 HE1 HIS 62 HE1 HIS 62 11.082 -3.684 11.926 495 H HIS 63 HN HIS 63 11.522 -1.344 5.408 496 HA HIS 63 HA HIS 63 14.057 -0.728 4.025 497 1HB HIS 63 HB2 HIS 63 11.270 -0.794 2.850 498 2HB HIS 63 HB1 HIS 63 12.805 -0.928 1.989 499 HD1 HIS 63 HD1 HIS 63 14.317 -3.100 2.814 500 HD2 HIS 63 HD2 HIS 63 10.215 -3.256 3.534 501 HE1 HIS 63 HE1 HIS 63 13.754 -5.535 3.226 502 H GLU 64 HN GLU 64 12.784 1.225 5.993 503 HA GLU 64 HA GLU 64 12.011 3.437 4.196 504 1HB GLU 64 HB2 GLU 64 10.723 3.848 6.008 505 2HB GLU 64 HB1 GLU 64 11.717 2.829 7.049 506 1HG GLU 64 HG2 GLU 64 13.313 4.609 7.391 507 2HG GLU 64 HG1 GLU 64 12.534 5.613 6.166 508 H LYS 65 HN LYS 65 14.552 2.744 6.614 509 HA LYS 65 HA LYS 65 16.192 4.874 5.297 510 1HB LYS 65 HB2 LYS 65 15.433 4.879 7.895 511 2HB LYS 65 HB1 LYS 65 16.923 3.945 8.023 512 1HG LYS 65 HG2 LYS 65 18.117 5.843 7.870 513 2HG LYS 65 HG1 LYS 65 17.431 6.135 6.271 514 1HD LYS 65 HD2 LYS 65 15.644 7.417 7.144 515 2HD LYS 65 HD1 LYS 65 15.902 6.816 8.782 516 1HE LYS 65 HE2 LYS 65 18.263 7.927 8.535 517 2HE LYS 65 HE1 LYS 65 17.493 8.851 7.244 518 1HZ LYS 65 HZ1 LYS 65 15.708 9.385 8.893 519 2HZ LYS 65 HZ3 LYS 65 16.701 8.720 10.096 520 3HZ LYS 65 HZ2 LYS 65 17.223 10.081 9.223 521 H ASP 66 HN ASP 66 16.432 2.679 3.923 522 HA ASP 66 HA ASP 66 18.801 1.230 5.036 523 1HB ASP 66 HB2 ASP 66 18.138 -0.711 3.806 524 2HB ASP 66 HB1 ASP 66 16.677 -0.118 4.597 525 H THR 67 HN THR 67 20.357 0.499 3.305 526 HA THR 67 HA THR 67 20.813 2.719 1.424 527 HB THR 67 HB THR 67 22.474 0.261 2.047 528 HG1 THR 67 HG1 THR 67 22.216 2.783 3.125 529 1HG2 THR 67 HG23 THR 67 22.952 2.678 0.296 530 2HG2 THR 67 HG22 THR 67 24.274 1.692 0.922 531 3HG2 THR 67 HG21 THR 67 23.069 0.975 -0.147 532 NH1 ARG 68 NH2 ARG 68 20.959 -4.390 2.798 533 NH2 ARG 68 NH1 ARG 68 19.492 -5.757 3.835 534 H ARG 68 HN ARG 68 19.689 -0.586 1.371 535 HA ARG 68 HA ARG 68 20.243 -1.312 -1.294 536 1HB ARG 68 HB2 ARG 68 17.662 -1.929 0.171 537 2HB ARG 68 HB1 ARG 68 18.422 -2.881 -1.105 538 1HG ARG 68 HG2 ARG 68 20.424 -2.594 0.822 539 2HG ARG 68 HG1 ARG 68 18.957 -2.884 1.758 540 1HD ARG 68 HD2 ARG 68 18.711 -4.695 -0.301 541 2HD ARG 68 HD1 ARG 68 20.448 -4.706 -0.011 542 HE ARG 68 HE ARG 68 18.485 -5.966 1.618 543 1HH1 ARG 68 HH21 ARG 68 21.310 -3.955 1.972 544 2HH1 ARG 68 HH22 ARG 68 21.438 -4.262 3.667 545 1HH2 ARG 68 HH11 ARG 68 18.702 -6.368 3.803 546 2HH2 ARG 68 HH12 ARG 68 19.989 -5.626 4.693 547 H CYS 69 HN CYS 69 17.151 0.113 -0.137 548 HA CYS 69 HA CYS 69 16.272 0.695 -2.825 549 1HB CYS 69 HB2 CYS 69 14.800 0.393 -0.762 550 2HB CYS 69 HB1 CYS 69 15.267 2.032 -0.307 551 H LEU 70 HN LEU 70 18.286 2.415 -0.552 552 HA LEU 70 HA LEU 70 17.895 5.084 -1.371 553 1HB LEU 70 HB2 LEU 70 20.183 3.548 -0.244 554 2HB LEU 70 HB1 LEU 70 20.551 5.111 -0.970 555 HG LEU 70 HG LEU 70 18.369 4.702 1.090 556 1HD1 LEU 70 HD12 LEU 70 21.190 4.679 1.466 557 2HD1 LEU 70 HD11 LEU 70 20.598 6.233 2.053 558 3HD1 LEU 70 HD13 LEU 70 19.936 4.734 2.704 559 1HD2 LEU 70 HD21 LEU 70 19.488 6.992 -0.457 560 2HD2 LEU 70 HD23 LEU 70 17.839 6.716 0.106 561 3HD2 LEU 70 HD22 LEU 70 19.068 7.300 1.228 562 H GLY 71 HN GLY 71 20.687 3.165 -2.520 563 1HA GLY 71 HA2 GLY 71 20.771 2.771 -5.037 564 2HA GLY 71 HA1 GLY 71 20.298 4.464 -5.188 565 H ALA 72 HN ALA 72 22.502 4.121 -6.492 566 HA ALA 72 HA ALA 72 24.738 4.795 -4.619 567 1HB ALA 72 HB3 ALA 72 24.937 2.657 -6.009 568 2HB ALA 72 HB2 ALA 72 25.045 3.704 -7.425 569 3HB ALA 72 HB1 ALA 72 26.271 3.800 -6.160 570 H THR 73 HN THR 73 22.736 6.642 -5.802 571 HA THR 73 HA THR 73 24.682 8.431 -7.175 572 HB THR 73 HB THR 73 23.116 9.025 -8.887 573 HG1 THR 73 HG1 THR 73 21.031 7.743 -8.769 574 1HG2 THR 73 HG23 THR 73 24.314 6.722 -8.974 575 2HG2 THR 73 HG22 THR 73 22.714 6.048 -8.660 576 3HG2 THR 73 HG21 THR 73 22.995 7.017 -10.107 577 H ALA 74 HN ALA 74 23.597 10.734 -7.325 578 HA ALA 74 HA ALA 74 22.647 11.353 -4.597 579 1HB ALA 74 HB2 ALA 74 23.759 12.940 -6.889 580 2HB ALA 74 HB1 ALA 74 22.820 13.769 -5.647 581 3HB ALA 74 HB3 ALA 74 24.286 12.893 -5.207 582 H GLN 75 HN GLN 75 21.467 11.333 -7.908 583 HA GLN 75 HA GLN 75 19.092 12.897 -7.388 584 1HB GLN 75 HB2 GLN 75 19.906 10.994 -9.587 585 2HB GLN 75 HB1 GLN 75 18.299 11.720 -9.545 586 1HG GLN 75 HG2 GLN 75 19.150 13.577 -10.487 587 2HG GLN 75 HG1 GLN 75 20.143 13.814 -9.048 588 1HE2 GLN 75 HE22 GLN 75 21.884 11.714 -12.138 589 2HE2 GLN 75 HE21 GLN 75 20.236 11.475 -11.808 590 H GLN 76 HN GLN 76 19.493 9.375 -7.933 591 HA GLN 76 HA GLN 76 16.872 8.615 -7.248 592 1HB GLN 76 HB2 GLN 76 19.533 7.234 -7.133 593 2HB GLN 76 HB1 GLN 76 18.120 6.438 -6.440 594 1HG GLN 76 HG2 GLN 76 16.986 7.092 -8.722 595 2HG GLN 76 HG1 GLN 76 18.651 7.197 -9.296 596 1HE2 GLN 76 HE22 GLN 76 19.191 3.688 -9.210 597 2HE2 GLN 76 HE21 GLN 76 19.915 5.214 -9.382 598 H PHE 77 HN PHE 77 19.493 9.620 -5.164 599 HA PHE 77 HA PHE 77 18.671 8.456 -2.718 600 1HB PHE 77 HB2 PHE 77 20.732 10.010 -3.373 601 2HB PHE 77 HB1 PHE 77 19.684 11.269 -2.719 602 HD1 PHE 77 HD2 PHE 77 18.890 11.149 -0.365 603 HD2 PHE 77 HD1 PHE 77 21.721 8.334 -1.952 604 HE1 PHE 77 HE2 PHE 77 19.490 10.453 1.939 605 HE2 PHE 77 HE1 PHE 77 22.320 7.639 0.352 606 HZ PHE 77 HZ PHE 77 21.205 8.699 2.297 607 H HIS 78 HN HIS 78 17.854 11.729 -3.950 608 HA HIS 78 HA HIS 78 15.912 12.218 -1.881 609 1HB HIS 78 HB2 HIS 78 16.992 14.032 -3.180 610 2HB HIS 78 HB1 HIS 78 16.137 13.488 -4.624 611 HD1 HIS 78 HD1 HIS 78 13.771 14.304 -4.935 612 HD2 HIS 78 HD2 HIS 78 15.170 14.984 -1.068 613 HE1 HIS 78 HE1 HIS 78 12.004 15.693 -3.767 614 NH1 ARG 79 NH2 ARG 79 12.461 9.945 -11.414 615 NH2 ARG 79 NH1 ARG 79 14.091 11.204 -12.343 616 H ARG 79 HN ARG 79 15.665 10.977 -5.191 617 HA ARG 79 HA ARG 79 12.858 10.964 -5.460 618 1HB ARG 79 HB2 ARG 79 14.953 9.036 -6.492 619 2HB ARG 79 HB1 ARG 79 13.257 8.957 -6.968 620 1HG ARG 79 HG2 ARG 79 14.095 11.673 -7.211 621 2HG ARG 79 HG1 ARG 79 15.306 10.666 -8.005 622 1HD ARG 79 HD2 ARG 79 13.130 9.454 -8.966 623 2HD ARG 79 HD1 ARG 79 12.418 11.040 -8.670 624 HE ARG 79 HE ARG 79 14.772 11.604 -10.021 625 1HH1 ARG 79 HH21 ARG 79 12.002 9.564 -10.614 626 2HH1 ARG 79 HH22 ARG 79 12.118 9.732 -12.329 627 1HH2 ARG 79 HH11 ARG 79 14.890 11.796 -12.251 628 2HH2 ARG 79 HH12 ARG 79 13.737 10.980 -13.251 629 H HIS 80 HN HIS 80 14.945 8.890 -3.555 630 HA HIS 80 HA HIS 80 12.788 6.954 -3.036 631 1HB HIS 80 HB2 HIS 80 14.837 5.855 -3.030 632 2HB HIS 80 HB1 HIS 80 15.678 7.212 -2.279 633 HD1 HIS 80 HD1 HIS 80 13.202 4.465 -1.408 634 HD2 HIS 80 HD2 HIS 80 15.834 7.074 0.501 635 HE1 HIS 80 HE1 HIS 80 13.257 3.771 1.027 636 H LYS 81 HN LYS 81 14.383 9.657 -1.410 637 HA LYS 81 HA LYS 81 13.335 9.260 1.199 638 1HB LYS 81 HB2 LYS 81 14.139 11.735 -0.332 639 2HB LYS 81 HB1 LYS 81 13.517 11.836 1.317 640 1HG LYS 81 HG2 LYS 81 15.431 9.759 1.332 641 2HG LYS 81 HG1 LYS 81 16.159 11.085 0.426 642 1HD LYS 81 HD2 LYS 81 14.735 11.671 3.005 643 2HD LYS 81 HD1 LYS 81 16.376 11.028 3.049 644 1HE LYS 81 HE2 LYS 81 16.947 13.236 2.892 645 2HE LYS 81 HE1 LYS 81 16.684 12.957 1.171 646 1HZ LYS 81 HZ2 LYS 81 14.390 13.670 2.853 647 2HZ LYS 81 HZ1 LYS 81 15.479 14.895 2.409 648 3HZ LYS 81 HZ3 LYS 81 14.673 14.005 1.211 649 H GLN 82 HN GLN 82 11.816 10.473 -1.723 650 HA GLN 82 HA GLN 82 9.497 11.528 -0.266 651 1HB GLN 82 HB2 GLN 82 8.648 12.182 -2.385 652 2HB GLN 82 HB1 GLN 82 10.392 12.417 -2.504 653 1HG GLN 82 HG2 GLN 82 10.114 11.213 -4.434 654 2HG GLN 82 HG1 GLN 82 10.238 9.850 -3.323 655 1HE2 GLN 82 HE22 GLN 82 7.119 9.398 -5.336 656 2HE2 GLN 82 HE21 GLN 82 8.774 9.505 -5.700 657 H LEU 83 HN LEU 83 10.430 8.532 -1.819 658 HA LEU 83 HA LEU 83 7.784 7.452 -2.119 659 1HB LEU 83 HB2 LEU 83 9.004 5.895 -3.195 660 2HB LEU 83 HB1 LEU 83 10.486 6.592 -2.556 661 HG LEU 83 HG LEU 83 10.070 5.222 -0.432 662 1HD1 LEU 83 HD13 LEU 83 7.582 4.807 -1.461 663 2HD1 LEU 83 HD12 LEU 83 8.406 3.361 -2.044 664 3HD1 LEU 83 HD11 LEU 83 8.349 3.706 -0.316 665 1HD2 LEU 83 HD22 LEU 83 11.401 4.643 -2.726 666 2HD2 LEU 83 HD21 LEU 83 11.406 3.605 -1.301 667 3HD2 LEU 83 HD23 LEU 83 10.303 3.266 -2.635 668 H ILE 84 HN ILE 84 10.136 7.420 0.535 669 HA ILE 84 HA ILE 84 8.628 5.629 2.211 670 HB ILE 84 HB ILE 84 10.608 7.781 3.019 671 1HG1 ILE 84 HG12 ILE 84 11.620 6.237 1.427 672 2HG1 ILE 84 HG11 ILE 84 12.217 5.852 3.042 673 1HG2 ILE 84 HG22 ILE 84 9.051 5.766 4.481 674 2HG2 ILE 84 HG21 ILE 84 10.785 5.663 4.791 675 3HG2 ILE 84 HG23 ILE 84 9.922 7.172 5.093 676 1HD1 ILE 84 HD11 ILE 84 10.207 4.188 3.123 677 2HD1 ILE 84 HD13 ILE 84 10.211 4.357 1.368 678 3HD1 ILE 84 HD12 ILE 84 11.640 3.740 2.200 679 NH1 ARG 85 NH2 ARG 85 9.326 15.604 4.079 680 NH2 ARG 85 NH1 ARG 85 8.200 16.024 5.993 681 H ARG 85 HN ARG 85 8.631 9.163 1.833 682 HA ARG 85 HA ARG 85 6.956 9.732 4.080 683 1HB ARG 85 HB2 ARG 85 8.257 11.277 2.275 684 2HB ARG 85 HB1 ARG 85 6.614 11.395 1.644 685 1HG ARG 85 HG2 ARG 85 5.803 12.431 3.561 686 2HG ARG 85 HG1 ARG 85 7.058 11.740 4.588 687 1HD ARG 85 HD2 ARG 85 8.728 13.186 3.332 688 2HD ARG 85 HD1 ARG 85 7.348 14.000 2.594 689 HE ARG 85 HE ARG 85 6.824 14.109 5.318 690 1HH1 ARG 85 HH21 ARG 85 9.464 15.068 3.247 691 2HH1 ARG 85 HH22 ARG 85 9.933 16.374 4.278 692 1HH2 ARG 85 HH11 ARG 85 7.464 15.807 6.633 693 2HH2 ARG 85 HH12 ARG 85 8.815 16.790 6.179 694 H PHE 86 HN PHE 86 6.182 9.030 0.682 695 HA PHE 86 HA PHE 86 3.359 9.364 0.890 696 1HB PHE 86 HB2 PHE 86 5.243 8.316 -1.045 697 2HB PHE 86 HB1 PHE 86 3.822 7.276 -0.949 698 HD1 PHE 86 HD1 PHE 86 4.332 10.978 -0.599 699 HD2 PHE 86 HD2 PHE 86 2.316 7.790 -2.653 700 HE1 PHE 86 HE1 PHE 86 3.026 12.640 -1.898 701 HE2 PHE 86 HE2 PHE 86 1.011 9.451 -3.952 702 HZ PHE 86 HZ PHE 86 1.366 11.876 -3.574 703 H LEU 87 HN LEU 87 5.478 6.643 1.649 704 HA LEU 87 HA LEU 87 3.430 4.666 1.979 705 1HB LEU 87 HB2 LEU 87 6.216 4.758 2.198 706 2HB LEU 87 HB1 LEU 87 5.661 4.342 3.820 707 HG LEU 87 HG LEU 87 4.673 2.942 1.325 708 1HD1 LEU 87 HD13 LEU 87 7.186 2.675 2.799 709 2HD1 LEU 87 HD12 LEU 87 6.271 1.169 2.746 710 3HD1 LEU 87 HD11 LEU 87 6.719 1.982 1.246 711 1HD2 LEU 87 HD21 LEU 87 4.031 2.874 4.167 712 2HD2 LEU 87 HD23 LEU 87 3.182 2.124 2.815 713 3HD2 LEU 87 HD22 LEU 87 4.533 1.288 3.580 714 H LYS 88 HN LYS 88 5.042 6.771 4.391 715 HA LYS 88 HA LYS 88 3.661 5.877 6.676 716 1HB LYS 88 HB2 LYS 88 4.550 8.699 6.008 717 2HB LYS 88 HB1 LYS 88 4.115 8.127 7.619 718 1HG LYS 88 HG2 LYS 88 5.964 6.628 7.697 719 2HG LYS 88 HG1 LYS 88 6.270 6.798 5.968 720 1HD LYS 88 HD2 LYS 88 7.470 8.700 6.254 721 2HD LYS 88 HD1 LYS 88 6.314 9.353 7.416 722 1HE LYS 88 HE2 LYS 88 7.386 8.402 9.229 723 2HE LYS 88 HE1 LYS 88 8.016 7.054 8.282 724 1HZ LYS 88 HZ2 LYS 88 9.268 9.064 7.109 725 2HZ LYS 88 HZ1 LYS 88 9.106 9.724 8.666 726 3HZ LYS 88 HZ3 LYS 88 9.908 8.245 8.454 727 NH1 ARG 89 NH2 ARG 89 -2.067 13.298 1.033 728 NH2 ARG 89 NH1 ARG 89 -3.129 11.964 -0.447 729 H ARG 89 HN ARG 89 2.692 8.346 4.298 730 HA ARG 89 HA ARG 89 0.318 9.190 5.616 731 1HB ARG 89 HB2 ARG 89 1.002 10.540 3.815 732 2HB ARG 89 HB1 ARG 89 1.201 9.160 2.737 733 1HG ARG 89 HG2 ARG 89 -1.066 8.990 2.305 734 2HG ARG 89 HG1 ARG 89 -1.520 9.704 3.853 735 1HD ARG 89 HD2 ARG 89 -1.390 11.838 3.058 736 2HD ARG 89 HD1 ARG 89 0.010 11.480 2.047 737 HE ARG 89 HE ARG 89 -2.080 10.139 0.811 738 1HH1 ARG 89 HH21 ARG 89 -1.468 13.423 1.824 739 2HH1 ARG 89 HH22 ARG 89 -2.454 14.098 0.576 740 1HH2 ARG 89 HH11 ARG 89 -3.348 11.053 -0.795 741 2HH2 ARG 89 HH12 ARG 89 -3.510 12.774 -0.892 742 H LEU 90 HN LEU 90 0.749 6.682 3.113 743 HA LEU 90 HA LEU 90 -2.031 5.868 3.223 744 1HB LEU 90 HB2 LEU 90 0.124 5.406 1.513 745 2HB LEU 90 HB1 LEU 90 -0.204 3.827 2.232 746 HG LEU 90 HG LEU 90 -2.672 4.270 1.702 747 1HD1 LEU 90 HD11 LEU 90 -1.624 6.775 0.985 748 2HD1 LEU 90 HD13 LEU 90 -2.020 5.990 -0.545 749 3HD1 LEU 90 HD12 LEU 90 -3.263 6.196 0.688 750 1HD2 LEU 90 HD22 LEU 90 -0.476 3.715 -0.255 751 2HD2 LEU 90 HD21 LEU 90 -1.768 2.654 0.310 752 3HD2 LEU 90 HD23 LEU 90 -2.113 3.906 -0.882 753 H ASP 91 HN ASP 91 0.552 5.307 5.369 754 HA ASP 91 HA ASP 91 -0.061 2.577 6.089 755 1HB ASP 91 HB2 ASP 91 2.091 3.335 6.726 756 2HB ASP 91 HB1 ASP 91 1.447 4.810 7.450 757 NH1 ARG 92 NH2 ARG 92 -2.110 8.291 14.255 758 NH2 ARG 92 NH1 ARG 92 -0.153 9.337 13.826 759 H ARG 92 HN ARG 92 -0.844 5.697 7.674 760 HA ARG 92 HA ARG 92 -2.739 4.296 9.450 761 1HB ARG 92 HB2 ARG 92 -1.697 7.116 9.260 762 2HB ARG 92 HB1 ARG 92 -3.096 6.734 10.264 763 1HG ARG 92 HG2 ARG 92 -1.348 4.738 10.970 764 2HG ARG 92 HG1 ARG 92 -0.252 6.090 10.685 765 1HD ARG 92 HD2 ARG 92 -2.672 6.818 12.196 766 2HD ARG 92 HD1 ARG 92 -1.630 5.663 13.026 767 HE ARG 92 HE ARG 92 0.114 7.615 12.104 768 1HH1 ARG 92 HH21 ARG 92 -2.771 7.567 14.068 769 2HH1 ARG 92 HH22 ARG 92 -2.294 8.954 14.980 770 1HH2 ARG 92 HH11 ARG 92 0.695 9.412 13.303 771 2HH2 ARG 92 HH12 ARG 92 -0.354 9.995 14.551 772 H ASN 93 HN ASN 93 -2.834 6.205 6.525 773 HA ASN 93 HA ASN 93 -5.657 6.904 6.839 774 1HB ASN 93 HB2 ASN 93 -3.684 8.020 5.399 775 2HB ASN 93 HB1 ASN 93 -4.367 6.969 4.158 776 1HD2 ASN 93 HD22 ASN 93 -6.489 10.203 5.460 777 2HD2 ASN 93 HD21 ASN 93 -5.044 9.756 6.232 778 H LEU 94 HN LEU 94 -3.829 4.334 5.263 779 HA LEU 94 HA LEU 94 -5.940 3.379 3.588 780 1HB LEU 94 HB2 LEU 94 -3.545 2.704 3.382 781 2HB LEU 94 HB1 LEU 94 -3.721 1.754 4.858 782 HG LEU 94 HG LEU 94 -5.722 0.634 3.648 783 1HD1 LEU 94 HD12 LEU 94 -5.599 2.434 1.802 784 2HD1 LEU 94 HD11 LEU 94 -4.209 1.535 1.194 785 3HD1 LEU 94 HD13 LEU 94 -5.791 0.760 1.281 786 1HD2 LEU 94 HD23 LEU 94 -2.799 0.250 3.250 787 2HD2 LEU 94 HD22 LEU 94 -3.999 -0.861 3.910 788 3HD2 LEU 94 HD21 LEU 94 -3.861 -0.648 2.166 789 CH2 TRP 95 CH2 TRP 95 -5.645 -0.654 13.550 790 H TRP 95 HN TRP 95 -4.810 1.928 6.676 791 HA TRP 95 HA TRP 95 -7.402 0.539 6.905 792 1HB TRP 95 HB2 TRP 95 -6.337 -0.902 8.295 793 2HB TRP 95 HB1 TRP 95 -4.902 -0.229 7.527 794 HD1 TRP 95 HD1 TRP 95 -4.166 2.240 8.866 795 HE1 TRP 95 HE1 TRP 95 -3.749 2.475 11.403 796 HE3 TRP 95 HE3 TRP 95 -6.747 -1.812 10.540 797 HZ2 TRP 95 HZ2 TRP 95 -4.429 1.101 13.828 798 HZ3 TRP 95 HZ3 TRP 95 -6.842 -2.339 12.954 799 HH2 TRP 95 HH2 TRP 95 -5.694 -0.888 14.603 800 H GLY 96 HN GLY 96 -6.022 3.451 8.065 801 1HA GLY 96 HA2 GLY 96 -7.132 3.746 10.630 802 2HA GLY 96 HA1 GLY 96 -6.935 5.087 9.502 803 H LEU 97 HN LEU 97 -8.724 3.758 7.505 804 HA LEU 97 HA LEU 97 -11.245 4.824 8.528 805 1HB LEU 97 HB2 LEU 97 -10.232 4.686 6.042 806 2HB LEU 97 HB1 LEU 97 -11.167 3.190 6.034 807 HG LEU 97 HG LEU 97 -12.911 4.991 7.201 808 1HD1 LEU 97 HD13 LEU 97 -10.933 6.540 5.930 809 2HD1 LEU 97 HD12 LEU 97 -12.308 6.545 4.828 810 3HD1 LEU 97 HD11 LEU 97 -12.510 7.093 6.492 811 1HD2 LEU 97 HD22 LEU 97 -12.565 4.105 4.323 812 2HD2 LEU 97 HD21 LEU 97 -13.580 3.360 5.558 813 3HD2 LEU 97 HD23 LEU 97 -14.001 4.945 4.909 814 H ALA 98 HN ALA 98 -9.883 1.642 7.813 815 HA ALA 98 HA ALA 98 -12.115 -0.010 8.080 816 1HB ALA 98 HB3 ALA 98 -9.231 -0.365 8.878 817 2HB ALA 98 HB2 ALA 98 -10.409 -1.650 9.145 818 3HB ALA 98 HB1 ALA 98 -10.086 -1.073 7.509 819 H GLY 99 HN GLY 99 -10.052 1.251 10.703 820 1HA GLY 99 HA2 GLY 99 -10.585 1.625 12.967 821 2HA GLY 99 HA1 GLY 99 -12.280 1.380 12.542 822 H LEU 100 HN LEU 100 -9.292 -0.585 12.753 823 HA LEU 100 HA LEU 100 -10.837 -2.586 14.334 824 1HB LEU 100 HB2 LEU 100 -9.940 -2.914 11.628 825 2HB LEU 100 HB1 LEU 100 -8.994 -3.985 12.658 826 HG LEU 100 HG LEU 100 -11.094 -5.049 11.825 827 1HD1 LEU 100 HD11 LEU 100 -10.917 -4.538 14.809 828 2HD1 LEU 100 HD13 LEU 100 -11.888 -5.813 14.071 829 3HD1 LEU 100 HD12 LEU 100 -10.131 -5.841 13.917 830 1HD2 LEU 100 HD21 LEU 100 -12.274 -2.678 12.110 831 2HD2 LEU 100 HD23 LEU 100 -13.195 -4.175 12.250 832 3HD2 LEU 100 HD22 LEU 100 -12.662 -3.329 13.703 833 H ASN 101 HN ASN 101 -8.714 -4.450 14.551 834 HA ASN 101 HA ASN 101 -6.704 -2.807 16.033 835 1HB ASN 101 HB2 ASN 101 -7.190 -5.744 16.509 836 2HB ASN 101 HB1 ASN 101 -6.524 -4.541 17.614 837 1HD2 ASN 101 HD22 ASN 101 -9.744 -3.246 18.545 838 2HD2 ASN 101 HD21 ASN 101 -8.105 -2.827 18.399 839 H SER 102 HN SER 102 -4.814 -4.922 16.347 840 HA SER 102 HA SER 102 -3.313 -4.684 13.949 841 1HB SER 102 HB2 SER 102 -2.598 -5.462 16.354 842 2HB SER 102 HB1 SER 102 -2.990 -7.070 15.749 843 HG SER 102 HG SER 102 -0.781 -6.421 15.399 844 H CYS 103 HN CYS 103 -2.959 -6.176 12.229 845 HA CYS 103 HA CYS 103 -4.904 -8.435 12.058 846 1HB CYS 103 HB2 CYS 103 -4.192 -6.601 9.748 847 2HB CYS 103 HB1 CYS 103 -5.400 -7.885 9.754 848 HA PRO 104 HA PRO 104 -0.454 -9.625 11.468 849 1HB PRO 104 HB2 PRO 104 -1.234 -12.136 12.663 850 2HB PRO 104 HB1 PRO 104 -0.131 -10.911 13.306 851 1HG PRO 104 HG2 PRO 104 -2.802 -11.501 14.204 852 2HG PRO 104 HG1 PRO 104 -1.705 -10.258 14.817 853 1HD PRO 104 HD2 PRO 104 -4.082 -9.877 13.239 854 2HD PRO 104 HD1 PRO 104 -2.959 -8.636 13.833 855 H VAL 105 HN VAL 105 -0.899 -9.742 9.182 856 HA VAL 105 HA VAL 105 -2.558 -11.588 7.854 857 HB VAL 105 HB VAL 105 -1.337 -9.764 6.697 858 1HG1 VAL 105 HG12 VAL 105 0.819 -10.413 8.083 859 2HG1 VAL 105 HG11 VAL 105 1.139 -11.460 6.700 860 3HG1 VAL 105 HG13 VAL 105 0.978 -9.719 6.470 861 1HG2 VAL 105 HG22 VAL 105 -2.053 -12.103 5.643 862 2HG2 VAL 105 HG21 VAL 105 -1.161 -10.916 4.690 863 3HG2 VAL 105 HG23 VAL 105 -0.311 -12.275 5.426 864 H LYS 106 HN LYS 106 -2.538 -13.790 7.869 865 HA LYS 106 HA LYS 106 0.022 -15.145 8.609 866 1HB LYS 106 HB2 LYS 106 -2.796 -15.583 9.339 867 2HB LYS 106 HB1 LYS 106 -1.941 -17.055 8.876 868 1HG LYS 106 HG2 LYS 106 -0.348 -15.309 10.610 869 2HG LYS 106 HG1 LYS 106 -1.838 -15.862 11.374 870 1HD LYS 106 HD2 LYS 106 -0.038 -17.789 9.911 871 2HD LYS 106 HD1 LYS 106 0.260 -17.369 11.598 872 1HE LYS 106 HE2 LYS 106 -2.456 -17.888 11.572 873 2HE LYS 106 HE1 LYS 106 -1.822 -19.084 10.443 874 1HZ LYS 106 HZ1 LYS 106 -0.032 -19.296 12.368 875 2HZ LYS 106 HZ3 LYS 106 -1.355 -18.799 13.305 876 3HZ LYS 106 HZ2 LYS 106 -1.469 -20.203 12.355 877 H GLU 107 HN GLU 107 -2.945 -16.079 6.826 878 HA GLU 107 HA GLU 107 -1.673 -17.989 5.166 879 1HB GLU 107 HB2 GLU 107 -4.120 -17.827 5.389 880 2HB GLU 107 HB1 GLU 107 -4.099 -16.274 4.552 881 1HG GLU 107 HG2 GLU 107 -4.192 -17.344 2.578 882 2HG GLU 107 HG1 GLU 107 -2.655 -18.130 2.943 883 H ALA 108 HN ALA 108 0.287 -17.149 4.314 884 HA ALA 108 HA ALA 108 0.091 -15.800 1.798 885 1HB ALA 108 HB2 ALA 108 0.612 -14.132 4.221 886 2HB ALA 108 HB1 ALA 108 1.539 -13.776 2.763 887 3HB ALA 108 HB3 ALA 108 -0.224 -13.709 2.727 888 H ASP 109 HN ASP 109 1.935 -16.302 0.667 889 HA ASP 109 HA ASP 109 4.143 -17.561 2.179 890 1HB ASP 109 HB2 ASP 109 3.125 -17.665 -0.587 891 2HB ASP 109 HB1 ASP 109 4.886 -17.662 -0.465 892 H GLN 110 HN GLN 110 4.544 -15.643 -0.787 893 HA GLN 110 HA GLN 110 5.569 -13.286 0.418 894 1HB GLN 110 HB2 GLN 110 8.018 -13.672 0.014 895 2HB GLN 110 HB1 GLN 110 7.358 -14.657 1.320 896 1HG GLN 110 HG2 GLN 110 6.929 -16.213 -0.937 897 2HG GLN 110 HG1 GLN 110 8.506 -15.485 -1.233 898 1HE2 GLN 110 HE22 GLN 110 8.657 -18.632 0.995 899 2HE2 GLN 110 HE21 GLN 110 7.717 -18.336 -0.388 900 H SER 111 HN SER 111 4.367 -12.504 -1.430 901 HA SER 111 HA SER 111 5.448 -13.182 -4.103 902 1HB SER 111 HB2 SER 111 3.553 -11.945 -4.983 903 2HB SER 111 HB1 SER 111 2.971 -13.018 -3.715 904 HG SER 111 HG SER 111 2.486 -10.538 -3.817 905 H THR 112 HN THR 112 6.716 -11.782 -5.268 906 HA THR 112 HA THR 112 8.221 -9.779 -4.020 907 HB THR 112 HB THR 112 8.933 -9.110 -6.227 908 HG1 THR 112 HG1 THR 112 6.449 -10.206 -6.912 909 1HG2 THR 112 HG22 THR 112 8.937 -11.735 -5.283 910 2HG2 THR 112 HG21 THR 112 8.451 -11.882 -6.973 911 3HG2 THR 112 HG23 THR 112 9.968 -11.083 -6.558 912 H LEU 113 HN LEU 113 7.984 -7.572 -3.729 913 HA LEU 113 HA LEU 113 5.442 -6.451 -3.384 914 1HB LEU 113 HB2 LEU 113 7.613 -5.516 -2.522 915 2HB LEU 113 HB1 LEU 113 7.922 -4.887 -4.141 916 HG LEU 113 HG LEU 113 5.747 -3.654 -4.024 917 1HD1 LEU 113 HD11 LEU 113 5.792 -4.789 -1.219 918 2HD1 LEU 113 HD13 LEU 113 4.813 -3.392 -1.666 919 3HD1 LEU 113 HD12 LEU 113 4.521 -4.954 -2.430 920 1HD2 LEU 113 HD21 LEU 113 7.882 -3.154 -1.938 921 2HD2 LEU 113 HD23 LEU 113 7.696 -2.373 -3.508 922 3HD2 LEU 113 HD22 LEU 113 6.554 -2.024 -2.210 923 H GLU 114 HN GLU 114 7.269 -6.778 -6.348 924 HA GLU 114 HA GLU 114 6.072 -4.755 -7.909 925 1HB GLU 114 HB2 GLU 114 7.757 -6.944 -8.376 926 2HB GLU 114 HB1 GLU 114 6.350 -7.235 -9.399 927 1HG GLU 114 HG2 GLU 114 6.628 -5.216 -10.574 928 2HG GLU 114 HG1 GLU 114 7.643 -4.516 -9.312 929 H ASN 115 HN ASN 115 5.024 -8.162 -7.622 930 HA ASN 115 HA ASN 115 2.552 -7.711 -9.033 931 1HB ASN 115 HB2 ASN 115 3.881 -9.935 -8.513 932 2HB ASN 115 HB1 ASN 115 2.858 -9.959 -7.076 933 1HD2 ASN 115 HD22 ASN 115 1.288 -11.144 -10.551 934 2HD2 ASN 115 HD21 ASN 115 2.955 -10.970 -10.280 935 H PHE 116 HN PHE 116 3.475 -7.357 -5.671 936 HA PHE 116 HA PHE 116 0.848 -7.519 -4.534 937 1HB PHE 116 HB2 PHE 116 2.726 -7.543 -3.039 938 2HB PHE 116 HB1 PHE 116 3.341 -6.021 -3.684 939 HD1 PHE 116 HD1 PHE 116 0.636 -7.578 -1.680 940 HD2 PHE 116 HD2 PHE 116 2.453 -3.904 -2.965 941 HE1 PHE 116 HE1 PHE 116 -0.702 -6.331 -0.005 942 HE2 PHE 116 HE2 PHE 116 1.115 -2.657 -1.290 943 HZ PHE 116 HZ PHE 116 -0.463 -3.870 0.189 944 H LEU 117 HN LEU 117 2.730 -4.530 -5.088 945 HA LEU 117 HA LEU 117 0.538 -2.757 -4.922 946 1HB LEU 117 HB2 LEU 117 1.970 -1.159 -6.145 947 2HB LEU 117 HB1 LEU 117 2.893 -2.010 -4.906 948 HG LEU 117 HG LEU 117 3.259 -3.701 -6.985 949 1HD1 LEU 117 HD11 LEU 117 1.983 -1.610 -8.226 950 2HD1 LEU 117 HD13 LEU 117 3.678 -1.188 -8.466 951 3HD1 LEU 117 HD12 LEU 117 3.065 -2.741 -9.036 952 1HD2 LEU 117 HD22 LEU 117 4.751 -1.604 -5.655 953 2HD2 LEU 117 HD21 LEU 117 5.336 -3.135 -6.304 954 3HD2 LEU 117 HD23 LEU 117 5.235 -1.717 -7.347 955 H GLU 118 HN GLU 118 1.525 -4.899 -7.506 956 HA GLU 118 HA GLU 118 0.236 -3.606 -9.696 957 1HB GLU 118 HB2 GLU 118 1.795 -5.577 -9.854 958 2HB GLU 118 HB1 GLU 118 0.492 -6.591 -9.234 959 1HG GLU 118 HG2 GLU 118 -0.934 -5.694 -11.154 960 2HG GLU 118 HG1 GLU 118 0.559 -5.039 -11.826 961 NH1 ARG 119 NH2 ARG 119 -5.027 -10.678 -10.290 962 NH2 ARG 119 NH1 ARG 119 -4.661 -9.069 -11.834 963 H ARG 119 HN ARG 119 -0.979 -6.245 -7.618 964 HA ARG 119 HA ARG 119 -3.663 -6.149 -8.647 965 1HB ARG 119 HB2 ARG 119 -2.679 -7.158 -5.958 966 2HB ARG 119 HB1 ARG 119 -4.232 -7.539 -6.704 967 1HG ARG 119 HG2 ARG 119 -1.879 -8.046 -8.419 968 2HG ARG 119 HG1 ARG 119 -1.989 -9.071 -6.987 969 1HD ARG 119 HD2 ARG 119 -3.335 -10.320 -8.364 970 2HD ARG 119 HD1 ARG 119 -4.558 -9.186 -7.794 971 HE ARG 119 HE ARG 119 -3.462 -7.937 -10.016 972 1HH1 ARG 119 HH21 ARG 119 -4.923 -11.041 -9.366 973 2HH1 ARG 119 HH22 ARG 119 -5.533 -11.205 -10.974 974 1HH2 ARG 119 HH11 ARG 119 -4.269 -8.187 -12.094 975 2HH2 ARG 119 HH12 ARG 119 -5.170 -9.607 -12.506 976 H LEU 120 HN LEU 120 -1.978 -4.119 -6.377 977 HA LEU 120 HA LEU 120 -4.405 -3.256 -4.997 978 1HB LEU 120 HB2 LEU 120 -1.546 -2.766 -4.784 979 2HB LEU 120 HB1 LEU 120 -2.461 -1.260 -4.677 980 HG LEU 120 HG LEU 120 -3.987 -2.871 -3.103 981 1HD1 LEU 120 HD13 LEU 120 -2.386 -4.746 -3.356 982 2HD1 LEU 120 HD12 LEU 120 -1.110 -3.731 -2.685 983 3HD1 LEU 120 HD11 LEU 120 -2.485 -4.197 -1.683 984 1HD2 LEU 120 HD21 LEU 120 -1.567 -1.192 -2.389 985 2HD2 LEU 120 HD23 LEU 120 -3.258 -0.691 -2.402 986 3HD2 LEU 120 HD22 LEU 120 -2.685 -1.827 -1.181 987 H LYS 121 HN LYS 121 -2.540 -2.236 -7.783 988 HA LYS 121 HA LYS 121 -3.910 0.315 -8.146 989 1HB LYS 121 HB2 LYS 121 -1.663 -0.072 -9.080 990 2HB LYS 121 HB1 LYS 121 -2.290 -1.399 -10.057 991 1HG LYS 121 HG2 LYS 121 -3.740 1.159 -10.364 992 2HG LYS 121 HG1 LYS 121 -2.075 1.169 -10.950 993 1HD LYS 121 HD2 LYS 121 -3.815 -1.162 -11.659 994 2HD LYS 121 HD1 LYS 121 -4.056 0.357 -12.521 995 1HE LYS 121 HE2 LYS 121 -2.252 -0.068 -13.792 996 2HE LYS 121 HE1 LYS 121 -1.243 -0.130 -12.347 997 1HZ LYS 121 HZ3 LYS 121 -2.907 -2.429 -13.165 998 2HZ LYS 121 HZ2 LYS 121 -1.348 -2.196 -13.798 999 3HZ LYS 121 HZ1 LYS 121 -1.567 -2.410 -12.127 1000 H THR 122 HN THR 122 -4.296 -2.978 -9.215 1001 HA THR 122 HA THR 122 -6.261 -2.393 -11.261 1002 HB THR 122 HB THR 122 -6.531 -5.087 -10.441 1003 HG1 THR 122 HG1 THR 122 -4.314 -5.691 -10.479 1004 1HG2 THR 122 HG22 THR 122 -4.953 -3.702 -12.618 1005 2HG2 THR 122 HG21 THR 122 -5.192 -5.449 -12.557 1006 3HG2 THR 122 HG23 THR 122 -6.578 -4.375 -12.741 1007 H ILE 123 HN ILE 123 -6.462 -3.651 -7.953 1008 HA ILE 123 HA ILE 123 -9.329 -3.926 -7.979 1009 HB ILE 123 HB ILE 123 -7.455 -3.658 -5.615 1010 1HG1 ILE 123 HG12 ILE 123 -6.992 -5.521 -7.311 1011 2HG1 ILE 123 HG11 ILE 123 -7.279 -6.044 -5.651 1012 1HG2 ILE 123 HG23 ILE 123 -10.354 -4.137 -5.932 1013 2HG2 ILE 123 HG22 ILE 123 -9.531 -5.271 -4.860 1014 3HG2 ILE 123 HG21 ILE 123 -9.458 -3.539 -4.536 1015 1HD1 ILE 123 HD12 ILE 123 -9.445 -5.911 -7.765 1016 2HD1 ILE 123 HD11 ILE 123 -8.540 -7.376 -7.387 1017 3HD1 ILE 123 HD13 ILE 123 -9.567 -6.632 -6.161 1018 H MET 124 HN MET 124 -7.164 -1.304 -6.942 1019 HA MET 124 HA MET 124 -9.406 0.202 -5.814 1020 1HB MET 124 HB2 MET 124 -6.492 0.455 -5.867 1021 2HB MET 124 HB1 MET 124 -7.325 1.999 -6.044 1022 1HG MET 124 HG2 MET 124 -8.048 1.973 -3.901 1023 2HG MET 124 HG1 MET 124 -8.532 0.281 -4.000 1024 1HE MET 124 HE2 MET 124 -6.398 2.896 -3.077 1025 2HE MET 124 HE1 MET 124 -6.450 2.120 -1.496 1026 3HE MET 124 HE3 MET 124 -4.915 2.273 -2.360 1027 NH1 ARG 125 NH2 ARG 125 -3.489 4.107 -13.465 1028 NH2 ARG 125 NH1 ARG 125 -4.141 2.340 -14.714 1029 H ARG 125 HN ARG 125 -7.268 0.669 -8.647 1030 HA ARG 125 HA ARG 125 -8.726 2.987 -9.545 1031 1HB ARG 125 HB2 ARG 125 -6.340 1.785 -10.243 1032 2HB ARG 125 HB1 ARG 125 -7.356 1.491 -11.656 1033 1HG ARG 125 HG2 ARG 125 -7.736 3.792 -12.013 1034 2HG ARG 125 HG1 ARG 125 -7.230 4.218 -10.378 1035 1HD ARG 125 HD2 ARG 125 -5.479 4.820 -11.993 1036 2HD ARG 125 HD1 ARG 125 -4.913 3.532 -10.928 1037 HE ARG 125 HE ARG 125 -5.968 2.171 -13.090 1038 1HH1 ARG 125 HH21 ARG 125 -3.614 4.717 -12.686 1039 2HH1 ARG 125 HH22 ARG 125 -2.715 4.246 -14.084 1040 1HH2 ARG 125 HH11 ARG 125 -4.776 1.588 -14.892 1041 2HH2 ARG 125 HH12 ARG 125 -3.363 2.492 -15.324 1042 H GLU 126 HN GLU 126 -9.114 -0.466 -10.164 1043 HA GLU 126 HA GLU 126 -11.068 0.092 -12.303 1044 1HB GLU 126 HB2 GLU 126 -9.297 -1.931 -11.976 1045 2HB GLU 126 HB1 GLU 126 -10.755 -2.679 -11.324 1046 1HG GLU 126 HG2 GLU 126 -11.930 -1.795 -13.446 1047 2HG GLU 126 HG1 GLU 126 -10.305 -1.547 -14.086 1048 H LYS 127 HN LYS 127 -11.131 -1.251 -8.981 1049 HA LYS 127 HA LYS 127 -14.038 -1.675 -9.234 1050 1HB LYS 127 HB2 LYS 127 -12.442 -3.245 -8.002 1051 2HB LYS 127 HB1 LYS 127 -12.404 -2.029 -6.724 1052 1HG LYS 127 HG2 LYS 127 -14.340 -2.842 -5.921 1053 2HG LYS 127 HG1 LYS 127 -15.130 -2.391 -7.432 1054 1HD LYS 127 HD2 LYS 127 -13.514 -4.920 -7.311 1055 2HD LYS 127 HD1 LYS 127 -15.152 -4.905 -6.658 1056 1HE LYS 127 HE2 LYS 127 -16.096 -4.807 -8.717 1057 2HE LYS 127 HE1 LYS 127 -14.926 -3.619 -9.292 1058 1HZ LYS 127 HZ1 LYS 127 -14.155 -6.437 -8.872 1059 2HZ LYS 127 HZ3 LYS 127 -14.885 -5.941 -10.319 1060 3HZ LYS 127 HZ2 LYS 127 -13.405 -5.260 -9.842 1061 OH TYR 128 OH TYR 128 -11.927 -1.336 -1.482 1062 H TYR 128 HN TYR 128 -11.890 0.631 -7.581 1063 HA TYR 128 HA TYR 128 -14.226 1.777 -6.192 1064 1HB TYR 128 HB2 TYR 128 -11.302 2.550 -6.189 1065 2HB TYR 128 HB1 TYR 128 -12.542 3.423 -5.298 1066 HD1 TYR 128 HD1 TYR 128 -11.383 -0.113 -5.834 1067 HD2 TYR 128 HD2 TYR 128 -12.941 2.804 -3.094 1068 HE1 TYR 128 HE1 TYR 128 -11.240 -1.766 -3.996 1069 HE2 TYR 128 HE2 TYR 128 -12.795 1.147 -1.254 1070 HH TYR 128 HH TYR 128 -11.120 -1.841 -1.601 1071 H SER 129 HN SER 129 -13.509 1.932 -9.294 1072 HA SER 129 HA SER 129 -13.383 4.810 -9.739 1073 1HB SER 129 HB2 SER 129 -13.475 2.363 -11.390 1074 2HB SER 129 HB1 SER 129 -14.304 3.747 -12.095 1075 HG SER 129 HG SER 129 -12.406 4.501 -12.545 1076 H LYS 130 HN LYS 130 -15.888 2.400 -9.322 1077 HA LYS 130 HA LYS 130 -18.031 4.008 -10.432 1078 1HB LYS 130 HB2 LYS 130 -18.165 1.670 -8.504 1079 2HB LYS 130 HB1 LYS 130 -19.502 2.308 -9.464 1080 1HG LYS 130 HG2 LYS 130 -16.946 1.365 -10.764 1081 2HG LYS 130 HG1 LYS 130 -18.258 0.244 -10.396 1082 1HD LYS 130 HD2 LYS 130 -19.587 2.347 -11.598 1083 2HD LYS 130 HD1 LYS 130 -18.078 2.274 -12.508 1084 1HE LYS 130 HE2 LYS 130 -18.508 -0.281 -12.616 1085 2HE LYS 130 HE1 LYS 130 -20.161 0.121 -12.149 1086 1HZ LYS 130 HZ3 LYS 130 -19.103 1.761 -14.269 1087 2HZ LYS 130 HZ2 LYS 130 -19.229 0.115 -14.676 1088 3HZ LYS 130 HZ1 LYS 130 -20.599 0.972 -14.151 1089 H CYS 131 HN CYS 131 -16.221 4.416 -7.618 1090 HA CYS 131 HA CYS 131 -18.506 5.451 -6.037 1091 1HB CYS 131 HB2 CYS 131 -16.653 4.038 -5.007 1092 2HB CYS 131 HB1 CYS 131 -15.576 5.408 -5.273 1093 H SER 132 HN SER 132 -17.634 6.786 -8.528 1094 HA SER 132 HA SER 132 -17.410 9.493 -7.453 1095 1HB SER 132 HB2 SER 132 -15.324 10.079 -8.498 1096 2HB SER 132 HB1 SER 132 -15.026 8.624 -7.552 1097 HG SER 132 HG SER 132 -15.732 7.637 -9.759 1098 H SER 133 HN SER 133 -17.035 10.995 -9.594 1099 HA SER 133 HA SER 133 -18.651 9.812 -11.807 1100 1HB SER 133 HB2 SER 133 -19.905 11.373 -10.093 1101 2HB SER 133 HB1 SER 133 -19.089 12.663 -10.971 1102 HG SER 133 HG SER 133 -21.081 12.213 -11.930 Start of MODEL 5 Raw file had 1102 H/Q atoms Start of MODEL 5 1 1H GLU 1 HT2 GLU 1 -16.540 5.237 15.744 2 2H GLU 1 HT1 GLU 1 -16.804 5.723 17.351 3 3H GLU 1 HT3 GLU 1 -15.506 4.695 16.978 4 HA GLU 1 HA GLU 1 -16.864 2.870 16.595 5 1HB GLU 1 HB2 GLU 1 -17.226 4.437 18.986 6 2HB GLU 1 HB1 GLU 1 -18.727 3.594 18.608 7 1HG GLU 1 HG2 GLU 1 -17.566 1.993 19.860 8 2HG GLU 1 HG1 GLU 1 -17.169 1.530 18.205 9 H ALA 2 HN ALA 2 -17.840 3.371 14.475 10 HA ALA 2 HA ALA 2 -20.690 3.231 14.513 11 1HB ALA 2 HB1 ALA 2 -19.496 5.950 13.925 12 2HB ALA 2 HB3 ALA 2 -21.110 5.481 13.391 13 3HB ALA 2 HB2 ALA 2 -20.737 5.551 15.112 14 H GLU 3 HN GLU 3 -21.399 2.521 12.510 15 HA GLU 3 HA GLU 3 -19.418 1.812 10.536 16 1HB GLU 3 HB2 GLU 3 -22.425 1.899 10.162 17 2HB GLU 3 HB1 GLU 3 -21.264 0.911 9.272 18 1HG GLU 3 HG2 GLU 3 -20.712 0.195 11.859 19 2HG GLU 3 HG1 GLU 3 -22.452 0.474 11.938 20 H ALA 4 HN ALA 4 -18.660 3.047 8.879 21 HA ALA 4 HA ALA 4 -19.769 5.739 8.487 22 1HB ALA 4 HB1 ALA 4 -17.286 4.315 7.818 23 2HB ALA 4 HB3 ALA 4 -17.845 5.396 6.540 24 3HB ALA 4 HB2 ALA 4 -17.544 6.025 8.160 25 H HIS 5 HN HIS 5 -19.628 6.305 5.874 26 HA HIS 5 HA HIS 5 -20.683 4.279 4.112 27 1HB HIS 5 HB2 HIS 5 -22.585 5.018 5.857 28 2HB HIS 5 HB1 HIS 5 -22.785 6.316 4.679 29 HD1 HIS 5 HD1 HIS 5 -22.106 4.661 2.111 30 HD2 HIS 5 HD2 HIS 5 -24.751 3.423 5.086 31 HE1 HIS 5 HE1 HIS 5 -23.651 2.966 1.037 32 H LYS 6 HN LYS 6 -18.664 6.337 3.988 33 HA LYS 6 HA LYS 6 -19.612 7.706 1.548 34 1HB LYS 6 HB2 LYS 6 -19.739 9.078 3.926 35 2HB LYS 6 HB1 LYS 6 -18.144 9.536 3.331 36 1HG LYS 6 HG2 LYS 6 -19.186 10.131 1.134 37 2HG LYS 6 HG1 LYS 6 -20.769 9.789 1.832 38 1HD LYS 6 HD2 LYS 6 -18.995 11.648 3.343 39 2HD LYS 6 HD1 LYS 6 -19.716 12.256 1.853 40 1HE LYS 6 HE2 LYS 6 -21.613 12.633 3.008 41 2HE LYS 6 HE1 LYS 6 -21.787 10.886 3.177 42 1HZ LYS 6 HZ2 LYS 6 -20.219 11.116 5.131 43 2HZ LYS 6 HZ1 LYS 6 -20.508 12.788 5.046 44 3HZ LYS 6 HZ3 LYS 6 -21.793 11.723 5.345 45 H CYS 7 HN CYS 7 -17.927 5.760 1.255 46 HA CYS 7 HA CYS 7 -15.144 6.319 1.734 47 1HB CYS 7 HB2 CYS 7 -14.725 4.339 0.611 48 2HB CYS 7 HB1 CYS 7 -16.415 4.087 1.051 49 H ASP 8 HN ASP 8 -17.355 7.650 -0.529 50 HA ASP 8 HA ASP 8 -15.741 8.048 -2.810 51 1HB ASP 8 HB2 ASP 8 -18.125 8.607 -2.775 52 2HB ASP 8 HB1 ASP 8 -17.822 9.900 -1.613 53 H ILE 9 HN ILE 9 -15.440 9.476 0.352 54 HA ILE 9 HA ILE 9 -13.803 11.706 -0.690 55 HB ILE 9 HB ILE 9 -14.659 10.922 2.106 56 1HG1 ILE 9 HG12 ILE 9 -15.369 13.564 1.106 57 2HG1 ILE 9 HG11 ILE 9 -15.974 12.289 0.047 58 1HG2 ILE 9 HG21 ILE 9 -12.926 13.208 1.132 59 2HG2 ILE 9 HG23 ILE 9 -13.685 13.168 2.724 60 3HG2 ILE 9 HG22 ILE 9 -12.481 11.954 2.288 61 1HD1 ILE 9 HD12 ILE 9 -16.725 11.154 2.290 62 2HD1 ILE 9 HD11 ILE 9 -16.586 12.784 2.948 63 3HD1 ILE 9 HD13 ILE 9 -17.698 12.462 1.618 64 H THR 10 HN THR 10 -13.183 9.604 2.103 65 HA THR 10 HA THR 10 -10.385 9.785 2.009 66 HB THR 10 HB THR 10 -12.198 7.627 3.097 67 HG1 THR 10 HG1 THR 10 -10.634 9.127 4.756 68 1HG2 THR 10 HG22 THR 10 -9.231 7.765 2.913 69 2HG2 THR 10 HG21 THR 10 -9.908 7.261 4.462 70 3HG2 THR 10 HG23 THR 10 -10.290 6.358 2.996 71 H LEU 11 HN LEU 11 -12.318 6.990 0.821 72 HA LEU 11 HA LEU 11 -10.162 5.546 -0.247 73 1HB LEU 11 HB2 LEU 11 -12.961 5.324 -0.303 74 2HB LEU 11 HB1 LEU 11 -12.457 5.321 -1.994 75 HG LEU 11 HG LEU 11 -10.797 3.552 -1.491 76 1HD1 LEU 11 HD12 LEU 11 -11.828 4.039 1.281 77 2HD1 LEU 11 HD11 LEU 11 -11.320 2.408 0.843 78 3HD1 LEU 11 HD13 LEU 11 -10.176 3.745 0.737 79 1HD2 LEU 11 HD23 LEU 11 -13.109 2.957 -2.205 80 2HD2 LEU 11 HD22 LEU 11 -12.399 1.730 -1.159 81 3HD2 LEU 11 HD21 LEU 11 -13.586 2.861 -0.510 82 H GLN 12 HN GLN 12 -11.719 8.403 -1.607 83 HA GLN 12 HA GLN 12 -10.658 8.003 -4.267 84 1HB GLN 12 HB2 GLN 12 -11.820 9.871 -4.786 85 2HB GLN 12 HB1 GLN 12 -12.458 9.754 -3.154 86 1HG GLN 12 HG2 GLN 12 -10.606 11.205 -2.345 87 2HG GLN 12 HG1 GLN 12 -10.040 11.369 -4.010 88 1HE2 GLN 12 HE22 GLN 12 -12.121 14.313 -3.723 89 2HE2 GLN 12 HE21 GLN 12 -10.545 13.772 -3.401 90 H GLU 13 HN GLU 13 -9.505 9.800 -1.421 91 HA GLU 13 HA GLU 13 -7.155 10.830 -2.762 92 1HB GLU 13 HB2 GLU 13 -8.115 11.776 -0.638 93 2HB GLU 13 HB1 GLU 13 -7.530 10.341 0.207 94 1HG GLU 13 HG2 GLU 13 -5.461 11.554 -1.459 95 2HG GLU 13 HG1 GLU 13 -6.076 12.673 -0.242 96 H ILE 14 HN ILE 14 -7.947 7.813 -1.188 97 HA ILE 14 HA ILE 14 -5.192 6.924 -0.904 98 HB ILE 14 HB ILE 14 -7.894 5.604 -0.649 99 1HG1 ILE 14 HG12 ILE 14 -5.659 5.749 1.372 100 2HG1 ILE 14 HG11 ILE 14 -6.750 7.114 1.133 101 1HG2 ILE 14 HG22 ILE 14 -5.244 4.337 -1.050 102 2HG2 ILE 14 HG21 ILE 14 -6.174 3.727 0.312 103 3HG2 ILE 14 HG23 ILE 14 -6.858 3.679 -1.310 104 1HD1 ILE 14 HD12 ILE 14 -8.672 5.464 1.447 105 2HD1 ILE 14 HD11 ILE 14 -7.462 4.305 1.999 106 3HD1 ILE 14 HD13 ILE 14 -7.714 5.807 2.889 107 H ILE 15 HN ILE 15 -7.628 6.830 -3.417 108 HA ILE 15 HA ILE 15 -6.383 4.690 -4.939 109 HB ILE 15 HB ILE 15 -8.630 6.578 -5.282 110 1HG1 ILE 15 HG12 ILE 15 -9.608 4.502 -6.307 111 2HG1 ILE 15 HG11 ILE 15 -8.068 3.695 -6.038 112 1HG2 ILE 15 HG23 ILE 15 -6.989 5.560 -7.614 113 2HG2 ILE 15 HG22 ILE 15 -8.678 6.038 -7.777 114 3HG2 ILE 15 HG21 ILE 15 -7.472 7.224 -7.279 115 1HD1 ILE 15 HD12 ILE 15 -8.419 4.575 -3.559 116 2HD1 ILE 15 HD11 ILE 15 -10.114 4.587 -4.043 117 3HD1 ILE 15 HD13 ILE 15 -9.190 3.086 -4.102 118 H LYS 16 HN LYS 16 -6.439 8.247 -5.272 119 HA LYS 16 HA LYS 16 -4.669 8.308 -7.528 120 1HB LYS 16 HB2 LYS 16 -5.234 10.407 -5.416 121 2HB LYS 16 HB1 LYS 16 -4.375 10.709 -6.928 122 1HG LYS 16 HG2 LYS 16 -6.417 9.766 -8.130 123 2HG LYS 16 HG1 LYS 16 -7.253 9.845 -6.579 124 1HD LYS 16 HD2 LYS 16 -5.832 12.246 -7.733 125 2HD LYS 16 HD1 LYS 16 -7.507 11.873 -8.146 126 1HE LYS 16 HE2 LYS 16 -7.852 11.704 -5.565 127 2HE LYS 16 HE1 LYS 16 -6.346 12.618 -5.470 128 1HZ LYS 16 HZ3 LYS 16 -8.250 13.649 -7.376 129 2HZ LYS 16 HZ2 LYS 16 -8.784 13.709 -5.764 130 3HZ LYS 16 HZ1 LYS 16 -7.330 14.467 -6.209 131 H THR 17 HN THR 17 -4.070 8.415 -4.033 132 HA THR 17 HA THR 17 -1.260 9.011 -4.269 133 HB THR 17 HB THR 17 -2.596 7.537 -1.992 134 HG1 THR 17 HG1 THR 17 -2.273 10.259 -1.843 135 1HG2 THR 17 HG21 THR 17 -0.028 7.859 -2.198 136 2HG2 THR 17 HG23 THR 17 -0.368 9.555 -1.853 137 3HG2 THR 17 HG22 THR 17 -0.804 8.312 -0.680 138 H LEU 18 HN LEU 18 -3.010 5.917 -3.803 139 HA LEU 18 HA LEU 18 -0.741 4.250 -3.676 140 1HB LEU 18 HB2 LEU 18 -3.013 3.400 -3.226 141 2HB LEU 18 HB1 LEU 18 -3.435 3.620 -4.923 142 HG LEU 18 HG LEU 18 -2.029 1.864 -5.632 143 1HD1 LEU 18 HD11 LEU 18 -0.604 2.374 -3.038 144 2HD1 LEU 18 HD13 LEU 18 -0.470 0.786 -3.791 145 3HD1 LEU 18 HD12 LEU 18 0.064 2.220 -4.663 146 1HD2 LEU 18 HD21 LEU 18 -3.797 1.380 -3.443 147 2HD2 LEU 18 HD23 LEU 18 -3.351 0.285 -4.748 148 3HD2 LEU 18 HD22 LEU 18 -2.406 0.319 -3.263 149 H ASN 19 HN ASN 19 -2.549 5.426 -6.504 150 HA ASN 19 HA ASN 19 -1.025 4.027 -8.478 151 1HB ASN 19 HB2 ASN 19 -3.042 4.985 -9.247 152 2HB ASN 19 HB1 ASN 19 -2.672 6.553 -8.528 153 1HD2 ASN 19 HD22 ASN 19 -1.337 7.676 -11.580 154 2HD2 ASN 19 HD21 ASN 19 -2.279 8.008 -10.206 155 H SER 20 HN SER 20 -0.468 7.058 -6.761 156 HA SER 20 HA SER 20 1.640 8.045 -8.430 157 1HB SER 20 HB2 SER 20 0.353 8.857 -6.059 158 2HB SER 20 HB1 SER 20 2.059 8.708 -5.645 159 HG SER 20 HG SER 20 2.495 10.342 -6.905 160 H LEU 21 HN LEU 21 1.643 5.780 -5.695 161 HA LEU 21 HA LEU 21 4.497 5.674 -5.391 162 1HB LEU 21 HB2 LEU 21 2.181 4.048 -4.503 163 2HB LEU 21 HB1 LEU 21 3.722 3.193 -4.598 164 HG LEU 21 HG LEU 21 3.958 5.852 -3.383 165 1HD1 LEU 21 HD12 LEU 21 1.620 4.828 -2.685 166 2HD1 LEU 21 HD11 LEU 21 2.615 3.802 -1.653 167 3HD1 LEU 21 HD13 LEU 21 2.670 5.555 -1.469 168 1HD2 LEU 21 HD21 LEU 21 4.837 3.022 -2.874 169 2HD2 LEU 21 HD23 LEU 21 5.821 4.464 -3.126 170 3HD2 LEU 21 HD22 LEU 21 4.993 4.219 -1.589 171 H THR 22 HN THR 22 2.330 4.235 -7.723 172 HA THR 22 HA THR 22 3.890 2.025 -8.570 173 HB THR 22 HB THR 22 2.304 3.783 -10.448 174 HG1 THR 22 HG1 THR 22 1.042 1.691 -9.184 175 1HG2 THR 22 HG23 THR 22 3.686 1.730 -11.189 176 2HG2 THR 22 HG22 THR 22 2.473 0.774 -10.340 177 3HG2 THR 22 HG21 THR 22 1.997 1.799 -11.694 178 H GLU 23 HN GLU 23 4.390 5.445 -9.066 179 HA GLU 23 HA GLU 23 5.978 5.416 -11.400 180 1HB GLU 23 HB2 GLU 23 5.287 7.508 -10.366 181 2HB GLU 23 HB1 GLU 23 6.236 7.143 -8.924 182 1HG GLU 23 HG2 GLU 23 8.240 7.622 -9.949 183 2HG GLU 23 HG1 GLU 23 7.674 7.099 -11.536 184 H GLN 24 HN GLN 24 7.064 5.110 -8.009 185 HA GLN 24 HA GLN 24 9.727 4.229 -8.981 186 1HB GLN 24 HB2 GLN 24 9.418 5.924 -7.094 187 2HB GLN 24 HB1 GLN 24 8.844 4.575 -6.111 188 1HG GLN 24 HG2 GLN 24 10.997 4.116 -5.630 189 2HG GLN 24 HG1 GLN 24 11.201 3.640 -7.316 190 1HE2 GLN 24 HE22 GLN 24 12.869 6.663 -8.243 191 2HE2 GLN 24 HE21 GLN 24 11.997 5.334 -8.839 192 H LYS 25 HN LYS 25 7.883 2.351 -9.647 193 HA LYS 25 HA LYS 25 8.096 0.291 -7.500 194 1HB LYS 25 HB2 LYS 25 5.959 1.026 -9.286 195 2HB LYS 25 HB1 LYS 25 6.410 -0.654 -9.573 196 1HG LYS 25 HG2 LYS 25 4.683 -0.447 -7.801 197 2HG LYS 25 HG1 LYS 25 6.178 -1.154 -7.189 198 1HD LYS 25 HD2 LYS 25 6.375 1.693 -6.967 199 2HD LYS 25 HD1 LYS 25 4.841 1.186 -6.262 200 1HE LYS 25 HE2 LYS 25 6.008 -0.475 -4.874 201 2HE LYS 25 HE1 LYS 25 7.547 -0.007 -5.596 202 1HZ LYS 25 HZ3 LYS 25 6.416 2.339 -4.740 203 2HZ LYS 25 HZ2 LYS 25 6.096 1.235 -3.488 204 3HZ LYS 25 HZ1 LYS 25 7.694 1.504 -4.000 205 H THR 26 HN THR 26 10.393 0.065 -8.241 206 HA THR 26 HA THR 26 10.608 -2.139 -10.145 207 HB THR 26 HB THR 26 11.928 0.526 -10.760 208 HG1 THR 26 HG1 THR 26 10.631 -0.430 -12.805 209 1HG2 THR 26 HG21 THR 26 12.199 -2.209 -12.032 210 2HG2 THR 26 HG23 THR 26 12.781 -0.717 -12.773 211 3HG2 THR 26 HG22 THR 26 13.471 -1.272 -11.248 212 H LEU 27 HN LEU 27 12.574 0.415 -8.591 213 HA LEU 27 HA LEU 27 14.646 -1.569 -7.904 214 1HB LEU 27 HB2 LEU 27 14.965 0.954 -8.585 215 2HB LEU 27 HB1 LEU 27 14.594 1.265 -6.889 216 HG LEU 27 HG LEU 27 16.612 -0.849 -7.528 217 1HD1 LEU 27 HD13 LEU 27 16.847 1.776 -8.545 218 2HD1 LEU 27 HD12 LEU 27 17.884 1.714 -7.120 219 3HD1 LEU 27 HD11 LEU 27 18.119 0.560 -8.433 220 1HD2 LEU 27 HD22 LEU 27 15.987 1.090 -5.315 221 2HD2 LEU 27 HD21 LEU 27 16.200 -0.659 -5.230 222 3HD2 LEU 27 HD23 LEU 27 17.602 0.392 -5.436 223 H CYS 28 HN CYS 28 12.298 0.514 -6.217 224 HA CYS 28 HA CYS 28 13.000 -0.587 -3.612 225 1HB CYS 28 HB2 CYS 28 11.525 1.625 -4.536 226 2HB CYS 28 HB1 CYS 28 10.363 0.603 -3.690 227 H THR 29 HN THR 29 11.224 -1.808 -6.227 228 HA THR 29 HA THR 29 9.334 -3.336 -4.558 229 HB THR 29 HB THR 29 8.478 -4.187 -6.666 230 HG1 THR 29 HG1 THR 29 9.665 -4.201 -8.404 231 1HG2 THR 29 HG21 THR 29 9.212 -1.253 -6.819 232 2HG2 THR 29 HG23 THR 29 7.957 -2.031 -7.784 233 3HG2 THR 29 HG22 THR 29 7.787 -1.933 -6.032 234 H GLU 30 HN GLU 30 12.516 -3.627 -4.878 235 HA GLU 30 HA GLU 30 12.632 -6.495 -5.551 236 1HB GLU 30 HB2 GLU 30 15.046 -6.207 -5.420 237 2HB GLU 30 HB1 GLU 30 14.377 -4.866 -6.352 238 1HG GLU 30 HG2 GLU 30 14.278 -3.623 -4.067 239 2HG GLU 30 HG1 GLU 30 15.412 -4.857 -3.524 240 H LEU 31 HN LEU 31 11.086 -5.941 -3.263 241 HA LEU 31 HA LEU 31 12.745 -7.188 -1.136 242 1HB LEU 31 HB2 LEU 31 10.650 -5.039 -0.655 243 2HB LEU 31 HB1 LEU 31 11.654 -5.818 0.564 244 HG LEU 31 HG LEU 31 13.281 -4.659 -1.553 245 1HD1 LEU 31 HD12 LEU 31 11.045 -3.174 -1.232 246 2HD1 LEU 31 HD11 LEU 31 12.016 -2.534 0.093 247 3HD1 LEU 31 HD13 LEU 31 12.624 -2.463 -1.561 248 1HD2 LEU 31 HD21 LEU 31 13.856 -5.385 0.857 249 2HD2 LEU 31 HD23 LEU 31 14.538 -3.860 0.292 250 3HD2 LEU 31 HD22 LEU 31 13.129 -3.856 1.353 251 H THR 32 HN THR 32 11.790 -9.190 -1.629 252 HA THR 32 HA THR 32 9.183 -9.858 -2.255 253 HB THR 32 HB THR 32 9.625 -11.987 -0.858 254 HG1 THR 32 HG1 THR 32 11.312 -10.528 0.305 255 1HG2 THR 32 HG22 THR 32 10.377 -11.225 -3.361 256 2HG2 THR 32 HG21 THR 32 11.946 -11.601 -2.650 257 3HG2 THR 32 HG23 THR 32 10.683 -12.829 -2.694 258 H VAL 33 HN VAL 33 7.243 -10.137 -1.158 259 HA VAL 33 HA VAL 33 7.171 -9.586 1.761 260 HB VAL 33 HB VAL 33 5.300 -7.990 1.444 261 1HG1 VAL 33 HG13 VAL 33 7.923 -7.436 1.258 262 2HG1 VAL 33 HG12 VAL 33 7.417 -6.885 -0.339 263 3HG1 VAL 33 HG11 VAL 33 6.688 -6.188 1.108 264 1HG2 VAL 33 HG23 VAL 33 4.565 -8.934 -0.761 265 2HG2 VAL 33 HG22 VAL 33 4.736 -7.179 -0.785 266 3HG2 VAL 33 HG21 VAL 33 5.983 -8.196 -1.507 267 H THR 34 HN THR 34 4.750 -9.961 2.493 268 HA THR 34 HA THR 34 4.044 -12.630 1.696 269 HB THR 34 HB THR 34 3.326 -10.837 3.757 270 HG1 THR 34 HG1 THR 34 3.722 -13.082 3.907 271 1HG2 THR 34 HG21 THR 34 1.412 -10.140 2.317 272 2HG2 THR 34 HG23 THR 34 0.870 -11.820 2.276 273 3HG2 THR 34 HG22 THR 34 0.895 -10.935 3.802 274 H ASP 35 HN ASP 35 2.072 -13.293 0.585 275 HA ASP 35 HA ASP 35 1.195 -11.284 -1.443 276 1HB ASP 35 HB2 ASP 35 2.304 -13.460 -2.199 277 2HB ASP 35 HB1 ASP 35 0.868 -14.291 -1.602 278 H ILE 36 HN ILE 36 -0.351 -10.416 0.145 279 HA ILE 36 HA ILE 36 -2.382 -11.996 1.380 280 HB ILE 36 HB ILE 36 -3.513 -9.898 1.819 281 1HG1 ILE 36 HG12 ILE 36 -1.635 -8.728 -0.263 282 2HG1 ILE 36 HG11 ILE 36 -3.372 -8.960 -0.464 283 1HG2 ILE 36 HG21 ILE 36 -1.184 -10.473 2.841 284 2HG2 ILE 36 HG23 ILE 36 -0.588 -9.173 1.808 285 3HG2 ILE 36 HG22 ILE 36 -1.806 -8.835 3.038 286 1HD1 ILE 36 HD13 ILE 36 -3.786 -7.446 1.453 287 2HD1 ILE 36 HD12 ILE 36 -2.049 -7.188 1.613 288 3HD1 ILE 36 HD11 ILE 36 -2.894 -6.633 0.168 289 H PHE 37 HN PHE 37 -2.017 -11.169 -1.940 290 HA PHE 37 HA PHE 37 -4.936 -11.423 -2.423 291 1HB PHE 37 HB2 PHE 37 -2.723 -10.915 -4.431 292 2HB PHE 37 HB1 PHE 37 -4.457 -10.731 -4.696 293 HD1 PHE 37 HD2 PHE 37 -5.706 -9.090 -3.076 294 HD2 PHE 37 HD1 PHE 37 -1.461 -9.071 -3.732 295 HE1 PHE 37 HE2 PHE 37 -5.588 -6.757 -2.243 296 HE2 PHE 37 HE1 PHE 37 -1.343 -6.736 -2.901 297 HZ PHE 37 HZ PHE 37 -3.409 -5.581 -2.156 298 H ALA 38 HN ALA 38 -3.439 -13.722 -1.470 299 HA ALA 38 HA ALA 38 -3.563 -15.467 -3.898 300 1HB ALA 38 HB2 ALA 38 -1.422 -15.104 -2.201 301 2HB ALA 38 HB1 ALA 38 -2.176 -16.557 -1.549 302 3HB ALA 38 HB3 ALA 38 -1.663 -16.512 -3.235 303 H ALA 39 HN ALA 39 -4.649 -15.013 -0.589 304 HA ALA 39 HA ALA 39 -6.423 -17.395 -0.947 305 1HB ALA 39 HB3 ALA 39 -4.546 -17.719 0.744 306 2HB ALA 39 HB2 ALA 39 -5.318 -16.463 1.713 307 3HB ALA 39 HB1 ALA 39 -6.177 -17.965 1.368 308 H SER 40 HN SER 40 -7.559 -15.208 -1.822 309 HA SER 40 HA SER 40 -9.275 -14.281 0.441 310 1HB SER 40 HB2 SER 40 -7.763 -12.675 -1.562 311 2HB SER 40 HB1 SER 40 -9.386 -12.124 -1.156 312 HG SER 40 HG SER 40 -7.686 -12.899 0.922 313 H LYS 41 HN LYS 41 -11.409 -14.607 0.034 314 HA LYS 41 HA LYS 41 -12.283 -14.808 -2.814 315 1HB LYS 41 HB2 LYS 41 -13.082 -16.662 -0.551 316 2HB LYS 41 HB1 LYS 41 -13.752 -16.701 -2.182 317 1HG LYS 41 HG2 LYS 41 -11.672 -17.354 -3.134 318 2HG LYS 41 HG1 LYS 41 -10.785 -16.944 -1.665 319 1HD LYS 41 HD2 LYS 41 -10.940 -19.255 -1.449 320 2HD LYS 41 HD1 LYS 41 -12.379 -18.742 -0.567 321 1HE LYS 41 HE2 LYS 41 -12.805 -19.044 -3.464 322 2HE LYS 41 HE1 LYS 41 -12.379 -20.547 -2.644 323 1HZ LYS 41 HZ1 LYS 41 -14.132 -19.652 -0.928 324 2HZ LYS 41 HZ3 LYS 41 -14.724 -18.836 -2.292 325 3HZ LYS 41 HZ2 LYS 41 -14.610 -20.530 -2.302 326 H ASP 42 HN ASP 42 -12.582 -12.936 -0.213 327 HA ASP 42 HA ASP 42 -15.083 -11.810 -0.977 328 1HB ASP 42 HB2 ASP 42 -16.247 -12.442 1.274 329 2HB ASP 42 HB1 ASP 42 -16.278 -13.607 -0.050 330 H THR 43 HN THR 43 -12.643 -10.667 -0.473 331 HA THR 43 HA THR 43 -12.775 -9.538 2.271 332 HB THR 43 HB THR 43 -10.588 -8.415 1.480 333 HG1 THR 43 HG1 THR 43 -10.957 -8.796 -0.740 334 1HG2 THR 43 HG22 THR 43 -11.026 -11.357 1.900 335 2HG2 THR 43 HG21 THR 43 -9.402 -10.745 1.589 336 3HG2 THR 43 HG23 THR 43 -10.304 -10.174 2.992 337 H THR 44 HN THR 44 -13.472 -7.465 2.636 338 HA THR 44 HA THR 44 -14.543 -5.953 0.347 339 HB THR 44 HB THR 44 -15.326 -4.387 2.189 340 HG1 THR 44 HG1 THR 44 -15.196 -5.543 4.298 341 1HG2 THR 44 HG22 THR 44 -16.247 -6.952 1.433 342 2HG2 THR 44 HG21 THR 44 -16.431 -6.856 3.184 343 3HG2 THR 44 HG23 THR 44 -17.188 -5.645 2.150 344 H GLU 45 HN GLU 45 -14.150 -3.353 0.850 345 HA GLU 45 HA GLU 45 -11.343 -2.969 0.235 346 1HB GLU 45 HB2 GLU 45 -11.914 -0.540 0.287 347 2HB GLU 45 HB1 GLU 45 -13.015 -1.471 -0.730 348 1HG GLU 45 HG2 GLU 45 -14.175 -1.605 1.802 349 2HG GLU 45 HG1 GLU 45 -13.583 0.052 1.695 350 H LYS 46 HN LYS 46 -13.266 -2.796 3.157 351 HA LYS 46 HA LYS 46 -11.335 -1.268 4.684 352 1HB LYS 46 HB2 LYS 46 -13.389 -3.191 5.793 353 2HB LYS 46 HB1 LYS 46 -12.703 -1.770 6.580 354 1HG LYS 46 HG2 LYS 46 -13.716 -0.409 4.653 355 2HG LYS 46 HG1 LYS 46 -14.640 -1.862 4.265 356 1HD LYS 46 HD2 LYS 46 -15.739 -1.851 6.381 357 2HD LYS 46 HD1 LYS 46 -14.620 -0.655 7.037 358 1HE LYS 46 HE2 LYS 46 -16.313 -0.009 4.631 359 2HE LYS 46 HE1 LYS 46 -16.970 0.150 6.259 360 1HZ LYS 46 HZ3 LYS 46 -14.344 1.305 5.871 361 2HZ LYS 46 HZ2 LYS 46 -15.593 2.064 5.005 362 3HZ LYS 46 HZ1 LYS 46 -15.692 1.922 6.696 363 H GLU 47 HN GLU 47 -12.148 -4.753 4.584 364 HA GLU 47 HA GLU 47 -10.086 -5.550 6.400 365 1HB GLU 47 HB2 GLU 47 -11.747 -6.957 4.333 366 2HB GLU 47 HB1 GLU 47 -10.391 -7.805 5.074 367 1HG GLU 47 HG2 GLU 47 -11.305 -7.524 7.276 368 2HG GLU 47 HG1 GLU 47 -12.529 -6.398 6.690 369 H THR 48 HN THR 48 -10.155 -5.773 2.819 370 HA THR 48 HA THR 48 -7.498 -6.675 2.490 371 HB THR 48 HB THR 48 -9.310 -5.023 0.733 372 HG1 THR 48 HG1 THR 48 -9.238 -7.013 -0.444 373 1HG2 THR 48 HG22 THR 48 -6.464 -5.908 0.256 374 2HG2 THR 48 HG21 THR 48 -7.582 -5.613 -1.076 375 3HG2 THR 48 HG23 THR 48 -7.163 -4.304 0.029 376 H PHE 49 HN PHE 49 -8.715 -3.395 2.999 377 HA PHE 49 HA PHE 49 -6.244 -2.060 2.335 378 1HB PHE 49 HB2 PHE 49 -8.761 -1.317 3.777 379 2HB PHE 49 HB1 PHE 49 -7.354 -0.271 3.949 380 HD1 PHE 49 HD1 PHE 49 -8.262 -2.294 0.953 381 HD2 PHE 49 HD2 PHE 49 -8.032 1.632 2.685 382 HE1 PHE 49 HE1 PHE 49 -8.755 -1.291 -1.258 383 HE2 PHE 49 HE2 PHE 49 -8.523 2.634 0.469 384 HZ PHE 49 HZ PHE 49 -8.890 1.170 -1.499 385 H CYS 50 HN CYS 50 -7.521 -3.493 5.298 386 HA CYS 50 HA CYS 50 -5.517 -2.346 7.044 387 1HB CYS 50 HB2 CYS 50 -7.700 -3.252 7.843 388 2HB CYS 50 HB1 CYS 50 -7.153 -4.873 7.421 389 NH1 ARG 51 NH2 ARG 51 -8.987 -9.526 5.948 390 NH2 ARG 51 NH1 ARG 51 -8.491 -10.977 7.608 391 H ARG 51 HN ARG 51 -5.847 -5.590 5.553 392 HA ARG 51 HA ARG 51 -3.462 -6.703 6.587 393 1HB ARG 51 HB2 ARG 51 -5.185 -7.216 4.207 394 2HB ARG 51 HB1 ARG 51 -3.571 -7.930 4.204 395 1HG ARG 51 HG2 ARG 51 -4.247 -9.526 5.634 396 2HG ARG 51 HG1 ARG 51 -4.732 -8.296 6.802 397 1HD ARG 51 HD2 ARG 51 -6.893 -8.043 5.554 398 2HD ARG 51 HD1 ARG 51 -6.410 -9.391 4.525 399 HE ARG 51 HE ARG 51 -6.166 -10.388 7.103 400 1HH1 ARG 51 HH21 ARG 51 -8.704 -8.880 5.241 401 2HH1 ARG 51 HH22 ARG 51 -9.959 -9.713 6.090 402 1HH2 ARG 51 HH11 ARG 51 -7.817 -11.447 8.180 403 2HH2 ARG 51 HH12 ARG 51 -9.467 -11.151 7.739 404 H ALA 52 HN ALA 52 -3.939 -5.105 3.415 405 HA ALA 52 HA ALA 52 -1.165 -5.108 2.725 406 1HB ALA 52 HB2 ALA 52 -3.096 -4.673 1.149 407 2HB ALA 52 HB1 ALA 52 -3.215 -3.059 1.850 408 3HB ALA 52 HB3 ALA 52 -1.751 -3.543 0.994 409 H ALA 53 HN ALA 53 -3.065 -3.035 4.811 410 HA ALA 53 HA ALA 53 -1.235 -0.800 4.830 411 1HB ALA 53 HB2 ALA 53 -3.542 -1.716 6.485 412 2HB ALA 53 HB1 ALA 53 -2.414 -0.587 7.238 413 3HB ALA 53 HB3 ALA 53 -3.242 -0.143 5.746 414 H THR 54 HN THR 54 -1.404 -3.851 6.580 415 HA THR 54 HA THR 54 0.548 -3.165 8.599 416 HB THR 54 HB THR 54 -0.584 -5.740 7.517 417 HG1 THR 54 HG1 THR 54 -0.459 -4.521 10.073 418 1HG2 THR 54 HG23 THR 54 1.802 -5.408 9.344 419 2HG2 THR 54 HG22 THR 54 0.837 -6.884 9.295 420 3HG2 THR 54 HG21 THR 54 1.703 -6.348 7.855 421 H VAL 55 HN VAL 55 0.709 -4.941 5.516 422 HA VAL 55 HA VAL 55 3.541 -5.324 5.523 423 HB VAL 55 HB VAL 55 1.610 -5.038 3.199 424 1HG1 VAL 55 HG12 VAL 55 4.498 -5.908 3.378 425 2HG1 VAL 55 HG11 VAL 55 3.454 -6.420 2.053 426 3HG1 VAL 55 HG13 VAL 55 3.786 -4.707 2.302 427 1HG2 VAL 55 HG22 VAL 55 1.591 -6.954 5.120 428 2HG2 VAL 55 HG21 VAL 55 1.151 -7.271 3.442 429 3HG2 VAL 55 HG23 VAL 55 2.776 -7.648 4.013 430 H LEU 56 HN LEU 56 1.539 -2.548 4.822 431 HA LEU 56 HA LEU 56 3.582 -1.068 3.383 432 1HB LEU 56 HB2 LEU 56 0.846 -0.567 4.399 433 2HB LEU 56 HB1 LEU 56 1.896 0.849 4.337 434 HG LEU 56 HG LEU 56 2.292 -0.645 1.933 435 1HD1 LEU 56 HD11 LEU 56 -0.488 -0.589 2.919 436 2HD1 LEU 56 HD13 LEU 56 -0.281 0.038 1.284 437 3HD1 LEU 56 HD12 LEU 56 0.245 -1.600 1.674 438 1HD2 LEU 56 HD22 LEU 56 1.191 2.041 2.721 439 2HD2 LEU 56 HD21 LEU 56 2.689 1.662 1.871 440 3HD2 LEU 56 HD23 LEU 56 1.144 1.525 1.035 441 NH1 ARG 57 NH2 ARG 57 5.609 -1.943 13.641 442 NH2 ARG 57 NH1 ARG 57 5.339 0.007 14.751 443 H ARG 57 HN ARG 57 2.567 -1.430 6.734 444 HA ARG 57 HA ARG 57 4.000 0.757 7.864 445 1HB ARG 57 HB2 ARG 57 2.343 -0.931 8.990 446 2HB ARG 57 HB1 ARG 57 3.785 -1.913 9.252 447 1HG ARG 57 HG2 ARG 57 4.343 0.824 9.969 448 2HG ARG 57 HG1 ARG 57 2.894 0.277 10.811 449 1HD ARG 57 HD2 ARG 57 4.191 -1.804 11.469 450 2HD ARG 57 HD1 ARG 57 5.636 -1.008 10.843 451 HE ARG 57 HE ARG 57 4.550 0.852 12.589 452 1HH1 ARG 57 HH21 ARG 57 5.550 -2.486 12.805 453 2HH1 ARG 57 HH22 ARG 57 5.946 -2.364 14.482 454 1HH2 ARG 57 HH11 ARG 57 5.069 0.970 14.763 455 2HH2 ARG 57 HH12 ARG 57 5.678 -0.429 15.585 456 H GLN 58 HN GLN 58 4.949 -2.590 7.130 457 HA GLN 58 HA GLN 58 7.675 -2.253 8.072 458 1HB GLN 58 HB2 GLN 58 6.061 -4.362 6.936 459 2HB GLN 58 HB1 GLN 58 7.613 -4.283 6.102 460 1HG GLN 58 HG2 GLN 58 8.474 -4.003 8.640 461 2HG GLN 58 HG1 GLN 58 7.018 -4.954 8.938 462 1HE2 GLN 58 HE22 GLN 58 8.636 -7.914 7.975 463 2HE2 GLN 58 HE21 GLN 58 7.488 -7.147 8.964 464 H PHE 59 HN PHE 59 5.977 -1.536 5.108 465 HA PHE 59 HA PHE 59 8.148 -1.461 3.278 466 1HB PHE 59 HB2 PHE 59 5.522 -1.084 3.022 467 2HB PHE 59 HB1 PHE 59 5.994 0.609 3.131 468 HD1 PHE 59 HD2 PHE 59 8.484 0.848 1.733 469 HD2 PHE 59 HD1 PHE 59 5.134 -1.681 0.811 470 HE1 PHE 59 HE2 PHE 59 9.182 0.789 -0.644 471 HE2 PHE 59 HE1 PHE 59 5.832 -1.735 -1.567 472 HZ PHE 59 HZ PHE 59 7.855 -0.500 -2.294 473 OH TYR 60 OH TYR 60 5.846 4.499 10.811 474 H TYR 60 HN TYR 60 6.735 1.247 5.171 475 HA TYR 60 HA TYR 60 9.089 2.899 4.508 476 1HB TYR 60 HB2 TYR 60 7.781 4.699 4.991 477 2HB TYR 60 HB1 TYR 60 6.472 3.534 4.790 478 HD1 TYR 60 HD2 TYR 60 5.461 2.423 6.773 479 HD2 TYR 60 HD1 TYR 60 8.354 5.574 7.160 480 HE1 TYR 60 HE2 TYR 60 4.807 2.732 9.145 481 HE2 TYR 60 HE1 TYR 60 7.700 5.884 9.532 482 HH TYR 60 HH TYR 60 5.189 3.832 11.026 483 H SER 61 HN SER 61 8.280 0.756 7.042 484 HA SER 61 HA SER 61 9.771 2.332 9.049 485 1HB SER 61 HB2 SER 61 9.031 0.772 10.660 486 2HB SER 61 HB1 SER 61 7.669 0.936 9.558 487 HG SER 61 HG SER 61 9.527 -1.157 9.839 488 H HIS 62 HN HIS 62 10.047 -0.936 7.607 489 HA HIS 62 HA HIS 62 12.835 -1.088 8.552 490 1HB HIS 62 HB2 HIS 62 10.766 -2.975 7.714 491 2HB HIS 62 HB1 HIS 62 12.340 -3.346 7.011 492 HD1 HIS 62 HD1 HIS 62 10.682 -4.700 9.573 493 HD2 HIS 62 HD2 HIS 62 14.210 -2.478 9.625 494 HE1 HIS 62 HE1 HIS 62 11.880 -5.308 11.720 495 H HIS 63 HN HIS 63 11.119 -1.297 5.408 496 HA HIS 63 HA HIS 63 13.703 -1.051 3.997 497 1HB HIS 63 HB2 HIS 63 10.952 -1.153 2.750 498 2HB HIS 63 HB1 HIS 63 12.496 -1.583 2.013 499 HD1 HIS 63 HD1 HIS 63 13.789 -3.533 3.717 500 HD2 HIS 63 HD2 HIS 63 9.630 -3.465 3.445 501 HE1 HIS 63 HE1 HIS 63 12.985 -5.815 4.467 502 H GLU 64 HN GLU 64 12.939 1.280 5.520 503 HA GLU 64 HA GLU 64 11.944 3.202 3.508 504 1HB GLU 64 HB2 GLU 64 11.170 4.256 5.334 505 2HB GLU 64 HB1 GLU 64 11.946 3.056 6.364 506 1HG GLU 64 HG2 GLU 64 14.048 4.346 6.302 507 2HG GLU 64 HG1 GLU 64 13.286 5.545 5.252 508 H LYS 65 HN LYS 65 14.906 2.385 5.254 509 HA LYS 65 HA LYS 65 16.436 3.934 3.246 510 1HB LYS 65 HB2 LYS 65 15.864 5.188 5.556 511 2HB LYS 65 HB1 LYS 65 17.288 4.287 6.078 512 1HG LYS 65 HG2 LYS 65 17.973 5.303 3.557 513 2HG LYS 65 HG1 LYS 65 17.123 6.625 4.355 514 1HD LYS 65 HD2 LYS 65 18.963 7.053 5.571 515 2HD LYS 65 HD1 LYS 65 18.847 5.448 6.292 516 1HE LYS 65 HE2 LYS 65 20.436 4.559 4.904 517 2HE LYS 65 HE1 LYS 65 19.958 5.569 3.540 518 1HZ LYS 65 HZ1 LYS 65 21.034 7.070 5.733 519 2HZ LYS 65 HZ3 LYS 65 22.142 5.953 5.100 520 3HZ LYS 65 HZ2 LYS 65 21.437 7.118 4.083 521 H ASP 66 HN ASP 66 16.094 1.077 3.779 522 HA ASP 66 HA ASP 66 18.498 0.158 5.154 523 1HB ASP 66 HB2 ASP 66 16.091 -1.015 4.355 524 2HB ASP 66 HB1 ASP 66 17.306 -1.769 3.321 525 H THR 67 HN THR 67 19.763 -1.623 3.658 526 HA THR 67 HA THR 67 21.089 0.016 1.632 527 HB THR 67 HB THR 67 22.439 -2.185 1.349 528 HG1 THR 67 HG1 THR 67 20.712 -3.382 2.438 529 1HG2 THR 67 HG23 THR 67 23.227 -0.207 2.599 530 2HG2 THR 67 HG22 THR 67 22.356 -0.767 4.027 531 3HG2 THR 67 HG21 THR 67 23.713 -1.702 3.398 532 NH1 ARG 68 NH2 ARG 68 18.844 -7.534 1.325 533 NH2 ARG 68 NH1 ARG 68 18.902 -7.345 3.574 534 H ARG 68 HN ARG 68 18.583 -2.386 1.640 535 HA ARG 68 HA ARG 68 18.969 -3.425 -1.003 536 1HB ARG 68 HB2 ARG 68 16.646 -3.261 0.893 537 2HB ARG 68 HB1 ARG 68 16.376 -3.788 -0.770 538 1HG ARG 68 HG2 ARG 68 17.868 -5.630 -0.540 539 2HG ARG 68 HG1 ARG 68 18.539 -4.994 0.962 540 1HD ARG 68 HD2 ARG 68 15.788 -5.208 1.434 541 2HD ARG 68 HD1 ARG 68 16.204 -6.679 0.560 542 HE ARG 68 HE ARG 68 16.790 -6.150 3.292 543 1HH1 ARG 68 HH21 ARG 68 18.388 -7.390 0.451 544 2HH1 ARG 68 HH22 ARG 68 19.705 -8.042 1.357 545 1HH2 ARG 68 HH11 ARG 68 18.487 -7.041 4.431 546 2HH2 ARG 68 HH12 ARG 68 19.758 -7.862 3.588 547 H CYS 69 HN CYS 69 16.501 -1.030 0.058 548 HA CYS 69 HA CYS 69 16.348 -0.054 -2.732 549 1HB CYS 69 HB2 CYS 69 14.290 -0.456 -1.295 550 2HB CYS 69 HB1 CYS 69 14.785 0.937 -0.335 551 H LEU 70 HN LEU 70 18.827 0.489 -1.346 552 HA LEU 70 HA LEU 70 18.674 3.329 -0.558 553 1HB LEU 70 HB2 LEU 70 20.349 1.176 0.134 554 2HB LEU 70 HB1 LEU 70 21.365 2.277 -0.798 555 HG LEU 70 HG LEU 70 19.690 2.984 1.629 556 1HD1 LEU 70 HD12 LEU 70 22.684 2.966 1.137 557 2HD1 LEU 70 HD11 LEU 70 21.899 3.524 2.614 558 3HD1 LEU 70 HD13 LEU 70 21.799 1.826 2.148 559 1HD2 LEU 70 HD21 LEU 70 20.967 4.613 -0.506 560 2HD2 LEU 70 HD23 LEU 70 19.573 4.983 0.508 561 3HD2 LEU 70 HD22 LEU 70 21.206 5.172 1.149 562 H GLY 71 HN GLY 71 20.982 1.613 -2.692 563 1HA GLY 71 HA2 GLY 71 20.936 2.214 -5.145 564 2HA GLY 71 HA1 GLY 71 20.654 3.877 -4.626 565 H ALA 72 HN ALA 72 22.824 3.325 -6.263 566 HA ALA 72 HA ALA 72 25.169 3.286 -4.425 567 1HB ALA 72 HB1 ALA 72 24.754 2.016 -6.849 568 2HB ALA 72 HB3 ALA 72 25.720 3.420 -7.305 569 3HB ALA 72 HB2 ALA 72 26.326 2.287 -6.098 570 H THR 73 HN THR 73 23.504 5.268 -6.835 571 HA THR 73 HA THR 73 25.528 7.365 -6.806 572 HB THR 73 HB THR 73 23.647 8.698 -7.927 573 HG1 THR 73 HG1 THR 73 21.774 7.757 -8.177 574 1HG2 THR 73 HG23 THR 73 25.465 7.128 -8.998 575 2HG2 THR 73 HG22 THR 73 24.080 6.093 -9.348 576 3HG2 THR 73 HG21 THR 73 24.137 7.735 -9.989 577 H ALA 74 HN ALA 74 24.808 9.661 -6.125 578 HA ALA 74 HA ALA 74 23.861 9.489 -3.341 579 1HB ALA 74 HB1 ALA 74 24.888 11.819 -4.989 580 2HB ALA 74 HB3 ALA 74 24.471 11.910 -3.279 581 3HB ALA 74 HB2 ALA 74 25.805 10.886 -3.807 582 H GLN 75 HN GLN 75 22.726 10.671 -6.455 583 HA GLN 75 HA GLN 75 20.545 12.250 -5.426 584 1HB GLN 75 HB2 GLN 75 21.316 11.110 -8.075 585 2HB GLN 75 HB1 GLN 75 19.633 11.591 -7.857 586 1HG GLN 75 HG2 GLN 75 20.180 13.835 -7.504 587 2HG GLN 75 HG1 GLN 75 21.830 13.457 -7.008 588 1HE2 GLN 75 HE22 GLN 75 23.100 13.840 -10.261 589 2HE2 GLN 75 HE21 GLN 75 23.403 13.755 -8.593 590 H GLN 76 HN GLN 76 20.947 8.832 -6.154 591 HA GLN 76 HA GLN 76 18.208 8.062 -6.179 592 1HB GLN 76 HB2 GLN 76 20.770 6.760 -6.073 593 2HB GLN 76 HB1 GLN 76 19.691 6.010 -4.895 594 1HG GLN 76 HG2 GLN 76 18.141 5.369 -6.518 595 2HG GLN 76 HG1 GLN 76 18.683 6.598 -7.663 596 1HE2 GLN 76 HE22 GLN 76 20.908 4.390 -9.242 597 2HE2 GLN 76 HE21 GLN 76 19.974 5.804 -9.324 598 H PHE 77 HN PHE 77 20.327 8.938 -3.533 599 HA PHE 77 HA PHE 77 18.802 7.721 -1.421 600 1HB PHE 77 HB2 PHE 77 20.885 8.356 -0.658 601 2HB PHE 77 HB1 PHE 77 20.896 9.841 -1.610 602 HD1 PHE 77 HD1 PHE 77 19.400 8.214 1.387 603 HD2 PHE 77 HD2 PHE 77 20.114 11.897 -0.704 604 HE1 PHE 77 HE1 PHE 77 18.601 9.489 3.359 605 HE2 PHE 77 HE2 PHE 77 19.316 13.172 1.268 606 HZ PHE 77 HZ PHE 77 18.559 11.967 3.299 607 H HIS 78 HN HIS 78 18.899 11.128 -2.542 608 HA HIS 78 HA HIS 78 16.812 12.078 -0.897 609 1HB HIS 78 HB2 HIS 78 18.425 13.289 -2.632 610 2HB HIS 78 HB1 HIS 78 17.026 13.116 -3.693 611 HD1 HIS 78 HD1 HIS 78 15.282 13.332 -0.766 612 HD2 HIS 78 HD2 HIS 78 17.633 16.160 -2.731 613 HE1 HIS 78 HE1 HIS 78 14.529 15.599 0.075 614 NH1 ARG 79 NH2 ARG 79 14.815 11.128 -9.633 615 NH2 ARG 79 NH1 ARG 79 16.037 9.482 -10.577 616 H ARG 79 HN ARG 79 16.624 10.676 -4.169 617 HA ARG 79 HA ARG 79 13.841 10.985 -4.565 618 1HB ARG 79 HB2 ARG 79 15.993 9.432 -5.746 619 2HB ARG 79 HB1 ARG 79 14.503 8.493 -5.683 620 1HG ARG 79 HG2 ARG 79 13.675 11.033 -6.512 621 2HG ARG 79 HG1 ARG 79 15.184 10.760 -7.381 622 1HD ARG 79 HD2 ARG 79 13.378 8.432 -7.302 623 2HD ARG 79 HD1 ARG 79 12.733 9.812 -8.181 624 HE ARG 79 HE ARG 79 14.752 8.010 -9.108 625 1HH1 ARG 79 HH21 ARG 79 14.097 11.432 -9.011 626 2HH1 ARG 79 HH22 ARG 79 15.288 11.795 -10.209 627 1HH2 ARG 79 HH11 ARG 79 16.263 8.512 -10.672 628 2HH2 ARG 79 HH12 ARG 79 16.496 10.161 -11.150 629 H HIS 80 HN HIS 80 15.630 8.404 -2.897 630 HA HIS 80 HA HIS 80 13.400 6.702 -2.399 631 1HB HIS 80 HB2 HIS 80 15.857 6.161 -2.027 632 2HB HIS 80 HB1 HIS 80 15.758 7.104 -0.541 633 HD1 HIS 80 HD1 HIS 80 12.566 5.532 -1.025 634 HD2 HIS 80 HD2 HIS 80 16.242 4.259 0.469 635 HE1 HIS 80 HE1 HIS 80 12.103 3.441 0.321 636 H LYS 81 HN LYS 81 14.669 9.499 -0.634 637 HA LYS 81 HA LYS 81 13.135 9.312 1.720 638 1HB LYS 81 HB2 LYS 81 14.767 11.257 0.477 639 2HB LYS 81 HB1 LYS 81 13.230 12.052 0.822 640 1HG LYS 81 HG2 LYS 81 13.623 10.638 3.130 641 2HG LYS 81 HG1 LYS 81 15.282 11.035 2.686 642 1HD LYS 81 HD2 LYS 81 13.261 13.216 2.474 643 2HD LYS 81 HD1 LYS 81 13.753 12.726 4.095 644 1HE LYS 81 HE2 LYS 81 16.182 12.859 2.987 645 2HE LYS 81 HE1 LYS 81 15.361 14.009 1.931 646 1HZ LYS 81 HZ3 LYS 81 14.486 14.995 4.109 647 2HZ LYS 81 HZ2 LYS 81 15.743 14.128 4.855 648 3HZ LYS 81 HZ1 LYS 81 16.097 15.307 3.684 649 H GLN 82 HN GLN 82 12.231 10.625 -1.449 650 HA GLN 82 HA GLN 82 9.704 11.697 -0.704 651 1HB GLN 82 HB2 GLN 82 10.995 10.816 -3.232 652 2HB GLN 82 HB1 GLN 82 9.233 10.913 -3.248 653 1HG GLN 82 HG2 GLN 82 9.581 13.241 -2.135 654 2HG GLN 82 HG1 GLN 82 11.234 13.105 -2.738 655 1HE2 GLN 82 HE22 GLN 82 8.215 13.928 -5.321 656 2HE2 GLN 82 HE21 GLN 82 7.924 13.711 -3.662 657 H LEU 83 HN LEU 83 10.559 8.436 -1.886 658 HA LEU 83 HA LEU 83 7.945 7.351 -1.931 659 1HB LEU 83 HB2 LEU 83 10.045 6.231 -2.774 660 2HB LEU 83 HB1 LEU 83 10.457 5.873 -1.097 661 HG LEU 83 HG LEU 83 7.775 5.065 -1.403 662 1HD1 LEU 83 HD12 LEU 83 8.321 5.207 -3.892 663 2HD1 LEU 83 HD11 LEU 83 9.475 3.901 -3.620 664 3HD1 LEU 83 HD13 LEU 83 7.757 3.636 -3.324 665 1HD2 LEU 83 HD23 LEU 83 10.412 3.573 -1.300 666 2HD2 LEU 83 HD22 LEU 83 9.325 3.927 0.043 667 3HD2 LEU 83 HD21 LEU 83 8.848 2.765 -1.195 668 H ILE 84 HN ILE 84 10.191 7.811 0.766 669 HA ILE 84 HA ILE 84 8.777 6.257 2.697 670 HB ILE 84 HB ILE 84 10.333 8.787 3.271 671 1HG1 ILE 84 HG12 ILE 84 11.821 7.575 1.901 672 2HG1 ILE 84 HG11 ILE 84 12.249 7.048 3.528 673 1HG2 ILE 84 HG21 ILE 84 9.651 6.278 4.813 674 2HG2 ILE 84 HG23 ILE 84 10.952 7.362 5.309 675 3HG2 ILE 84 HG22 ILE 84 9.291 7.950 5.243 676 1HD1 ILE 84 HD11 ILE 84 10.467 5.174 3.109 677 2HD1 ILE 84 HD13 ILE 84 10.712 5.571 1.408 678 3HD1 ILE 84 HD12 ILE 84 12.068 5.012 2.386 679 NH1 ARG 85 NH2 ARG 85 7.785 16.657 2.857 680 NH2 ARG 85 NH1 ARG 85 7.094 16.539 5.004 681 H ARG 85 HN ARG 85 8.445 9.680 1.760 682 HA ARG 85 HA ARG 85 6.534 10.364 3.772 683 1HB ARG 85 HB2 ARG 85 7.151 11.494 1.044 684 2HB ARG 85 HB1 ARG 85 5.860 12.158 2.046 685 1HG ARG 85 HG2 ARG 85 7.671 12.242 3.917 686 2HG ARG 85 HG1 ARG 85 8.822 12.101 2.587 687 1HD ARG 85 HD2 ARG 85 8.594 14.296 2.165 688 2HD ARG 85 HD1 ARG 85 6.880 14.045 1.835 689 HE ARG 85 HE ARG 85 7.029 14.123 4.603 690 1HH1 ARG 85 HH21 ARG 85 8.024 16.218 1.992 691 2HH1 ARG 85 HH22 ARG 85 7.839 17.652 2.939 692 1HH2 ARG 85 HH11 ARG 85 6.799 16.002 5.794 693 2HH2 ARG 85 HH12 ARG 85 7.152 17.535 5.068 694 H PHE 86 HN PHE 86 5.968 9.573 0.330 695 HA PHE 86 HA PHE 86 3.157 9.500 0.428 696 1HB PHE 86 HB2 PHE 86 5.250 8.442 -1.335 697 2HB PHE 86 HB1 PHE 86 3.779 7.467 -1.338 698 HD1 PHE 86 HD1 PHE 86 4.870 11.057 -1.469 699 HD2 PHE 86 HD2 PHE 86 2.006 8.105 -2.708 700 HE1 PHE 86 HE1 PHE 86 3.755 12.743 -2.904 701 HE2 PHE 86 HE2 PHE 86 0.891 9.791 -4.144 702 HZ PHE 86 HZ PHE 86 1.763 12.110 -4.242 703 H LEU 87 HN LEU 87 5.475 7.172 1.635 704 HA LEU 87 HA LEU 87 3.577 4.979 1.861 705 1HB LEU 87 HB2 LEU 87 6.272 5.089 1.902 706 2HB LEU 87 HB1 LEU 87 5.959 5.076 3.638 707 HG LEU 87 HG LEU 87 6.167 2.782 2.949 708 1HD1 LEU 87 HD11 LEU 87 4.255 3.418 4.488 709 2HD1 LEU 87 HD13 LEU 87 3.196 3.351 3.081 710 3HD1 LEU 87 HD12 LEU 87 4.034 1.898 3.622 711 1HD2 LEU 87 HD23 LEU 87 5.559 3.495 0.488 712 2HD2 LEU 87 HD22 LEU 87 5.193 1.859 1.035 713 3HD2 LEU 87 HD21 LEU 87 3.917 3.076 0.977 714 H LYS 88 HN LYS 88 4.766 7.510 4.046 715 HA LYS 88 HA LYS 88 3.559 6.485 6.429 716 1HB LYS 88 HB2 LYS 88 4.255 9.322 5.627 717 2HB LYS 88 HB1 LYS 88 3.766 8.844 7.252 718 1HG LYS 88 HG2 LYS 88 5.668 7.177 7.238 719 2HG LYS 88 HG1 LYS 88 6.212 7.913 5.730 720 1HD LYS 88 HD2 LYS 88 6.813 9.909 6.758 721 2HD LYS 88 HD1 LYS 88 5.674 9.686 8.087 722 1HE LYS 88 HE2 LYS 88 7.770 7.613 7.901 723 2HE LYS 88 HE1 LYS 88 8.363 9.230 8.283 724 1HZ LYS 88 HZ2 LYS 88 6.382 9.210 9.939 725 2HZ LYS 88 HZ1 LYS 88 6.515 7.522 9.799 726 3HZ LYS 88 HZ3 LYS 88 7.836 8.432 10.350 727 NH1 ARG 89 NH2 ARG 89 -0.852 14.430 2.105 728 NH2 ARG 89 NH1 ARG 89 -0.195 13.739 0.058 729 H ARG 89 HN ARG 89 2.350 8.802 3.992 730 HA ARG 89 HA ARG 89 -0.144 9.268 5.370 731 1HB ARG 89 HB2 ARG 89 0.351 9.570 2.402 732 2HB ARG 89 HB1 ARG 89 -0.826 10.435 3.391 733 1HG ARG 89 HG2 ARG 89 1.476 11.026 4.723 734 2HG ARG 89 HG1 ARG 89 2.078 10.909 3.069 735 1HD ARG 89 HD2 ARG 89 -0.378 12.522 3.777 736 2HD ARG 89 HD1 ARG 89 1.242 13.216 3.800 737 HE ARG 89 HE ARG 89 1.063 12.038 1.301 738 1HH1 ARG 89 HH21 ARG 89 -0.841 14.344 3.100 739 2HH1 ARG 89 HH22 ARG 89 -1.392 15.152 1.676 740 1HH2 ARG 89 HH11 ARG 89 0.327 13.114 -0.523 741 2HH2 ARG 89 HH12 ARG 89 -0.742 14.467 -0.355 742 H LEU 90 HN LEU 90 0.620 7.308 2.479 743 HA LEU 90 HA LEU 90 -1.968 6.185 2.166 744 1HB LEU 90 HB2 LEU 90 0.182 6.063 0.649 745 2HB LEU 90 HB1 LEU 90 0.485 4.573 1.544 746 HG LEU 90 HG LEU 90 -2.240 4.476 0.878 747 1HD1 LEU 90 HD13 LEU 90 -0.613 5.878 -1.174 748 2HD1 LEU 90 HD12 LEU 90 -1.664 4.587 -1.761 749 3HD1 LEU 90 HD11 LEU 90 -2.348 5.946 -0.870 750 1HD2 LEU 90 HD21 LEU 90 -0.454 2.662 0.966 751 2HD2 LEU 90 HD23 LEU 90 -1.593 2.537 -0.374 752 3HD2 LEU 90 HD22 LEU 90 0.027 3.177 -0.651 753 H ASP 91 HN ASP 91 0.490 5.478 4.528 754 HA ASP 91 HA ASP 91 -0.346 2.776 5.106 755 1HB ASP 91 HB2 ASP 91 1.793 3.253 5.903 756 2HB ASP 91 HB1 ASP 91 1.318 4.837 6.519 757 NH1 ARG 92 NH2 ARG 92 -3.409 10.412 12.259 758 NH2 ARG 92 NH1 ARG 92 -4.627 11.403 10.635 759 H ARG 92 HN ARG 92 -0.691 5.634 7.229 760 HA ARG 92 HA ARG 92 -2.739 4.441 8.823 761 1HB ARG 92 HB2 ARG 92 -1.433 6.298 9.679 762 2HB ARG 92 HB1 ARG 92 -2.015 7.352 8.390 763 1HG ARG 92 HG2 ARG 92 -4.309 7.167 9.242 764 2HG ARG 92 HG1 ARG 92 -3.767 6.059 10.502 765 1HD ARG 92 HD2 ARG 92 -3.411 7.867 11.800 766 2HD ARG 92 HD1 ARG 92 -2.069 8.273 10.732 767 HE ARG 92 HE ARG 92 -4.289 9.295 9.429 768 1HH1 ARG 92 HH21 ARG 92 -2.899 9.630 12.612 769 2HH1 ARG 92 HH22 ARG 92 -3.497 11.238 12.815 770 1HH2 ARG 92 HH11 ARG 92 -5.053 11.379 9.731 771 2HH2 ARG 92 HH12 ARG 92 -4.709 12.220 11.205 772 H ASN 93 HN ASN 93 -2.922 5.939 5.700 773 HA ASN 93 HA ASN 93 -5.747 6.665 5.969 774 1HB ASN 93 HB2 ASN 93 -3.801 6.632 3.661 775 2HB ASN 93 HB1 ASN 93 -5.513 6.992 3.432 776 1HD2 ASN 93 HD22 ASN 93 -5.216 9.971 5.625 777 2HD2 ASN 93 HD21 ASN 93 -6.177 8.573 5.575 778 H LEU 94 HN LEU 94 -3.901 3.927 4.754 779 HA LEU 94 HA LEU 94 -6.044 2.709 3.277 780 1HB LEU 94 HB2 LEU 94 -3.339 2.058 4.027 781 2HB LEU 94 HB1 LEU 94 -4.384 0.667 4.323 782 HG LEU 94 HG LEU 94 -5.355 1.209 1.959 783 1HD1 LEU 94 HD11 LEU 94 -3.996 3.392 1.917 784 2HD1 LEU 94 HD13 LEU 94 -2.588 2.374 1.617 785 3HD1 LEU 94 HD12 LEU 94 -3.927 2.388 0.469 786 1HD2 LEU 94 HD23 LEU 94 -3.658 -0.661 2.842 787 2HD2 LEU 94 HD22 LEU 94 -4.019 -0.486 1.125 788 3HD2 LEU 94 HD21 LEU 94 -2.542 0.209 1.791 789 CH2 TRP 95 CH2 TRP 95 -5.791 2.015 13.486 790 H TRP 95 HN TRP 95 -4.724 1.754 6.472 791 HA TRP 95 HA TRP 95 -7.164 0.233 7.044 792 1HB TRP 95 HB2 TRP 95 -6.004 -0.650 8.841 793 2HB TRP 95 HB1 TRP 95 -4.665 -0.208 7.781 794 HD1 TRP 95 HD1 TRP 95 -3.413 2.106 8.303 795 HE1 TRP 95 HE1 TRP 95 -3.063 3.363 10.531 796 HE3 TRP 95 HE3 TRP 95 -7.018 -0.124 11.131 797 HZ2 TRP 95 HZ2 TRP 95 -4.178 3.408 13.170 798 HZ3 TRP 95 HZ3 TRP 95 -7.358 0.538 13.494 799 HH2 TRP 95 HH2 TRP 95 -5.944 2.300 14.517 800 H GLY 96 HN GLY 96 -5.963 3.419 7.701 801 1HA GLY 96 HA2 GLY 96 -7.190 4.149 10.095 802 2HA GLY 96 HA1 GLY 96 -7.044 5.250 8.726 803 H LEU 97 HN LEU 97 -8.705 3.796 6.909 804 HA LEU 97 HA LEU 97 -11.348 4.530 8.013 805 1HB LEU 97 HB2 LEU 97 -10.688 5.253 5.716 806 2HB LEU 97 HB1 LEU 97 -10.591 3.558 5.238 807 HG LEU 97 HG LEU 97 -13.093 3.768 6.449 808 1HD1 LEU 97 HD13 LEU 97 -12.298 6.304 5.085 809 2HD1 LEU 97 HD12 LEU 97 -13.932 5.700 4.803 810 3HD1 LEU 97 HD11 LEU 97 -13.394 6.058 6.444 811 1HD2 LEU 97 HD23 LEU 97 -11.960 3.446 3.735 812 2HD2 LEU 97 HD22 LEU 97 -13.165 2.469 4.574 813 3HD2 LEU 97 HD21 LEU 97 -13.643 3.970 3.780 814 H ALA 98 HN ALA 98 -9.464 1.700 7.203 815 HA ALA 98 HA ALA 98 -11.436 -0.262 6.877 816 1HB ALA 98 HB2 ALA 98 -8.774 -0.437 8.315 817 2HB ALA 98 HB1 ALA 98 -9.744 -1.835 7.854 818 3HB ALA 98 HB3 ALA 98 -9.073 -0.778 6.611 819 H GLY 99 HN GLY 99 -9.911 0.726 9.955 820 1HA GLY 99 HA2 GLY 99 -11.085 1.013 12.035 821 2HA GLY 99 HA1 GLY 99 -12.469 0.166 11.341 822 H LEU 100 HN LEU 100 -9.148 -1.003 11.172 823 HA LEU 100 HA LEU 100 -9.726 -3.037 13.262 824 1HB LEU 100 HB2 LEU 100 -9.664 -3.526 10.397 825 2HB LEU 100 HB1 LEU 100 -8.409 -4.450 11.222 826 HG LEU 100 HG LEU 100 -11.229 -4.375 12.284 827 1HD1 LEU 100 HD11 LEU 100 -10.079 -6.241 10.189 828 2HD1 LEU 100 HD13 LEU 100 -11.589 -6.523 11.054 829 3HD1 LEU 100 HD12 LEU 100 -11.434 -5.133 9.979 830 1HD2 LEU 100 HD23 LEU 100 -8.821 -6.186 12.560 831 2HD2 LEU 100 HD22 LEU 100 -9.653 -5.286 13.829 832 3HD2 LEU 100 HD21 LEU 100 -10.432 -6.680 13.081 833 H ASN 101 HN ASN 101 -8.088 -2.127 14.567 834 HA ASN 101 HA ASN 101 -5.488 -1.392 13.584 835 1HB ASN 101 HB2 ASN 101 -4.961 -0.931 15.798 836 2HB ASN 101 HB1 ASN 101 -6.721 -0.853 15.864 837 1HD2 ASN 101 HD22 ASN 101 -4.863 -3.533 18.159 838 2HD2 ASN 101 HD21 ASN 101 -4.090 -2.206 17.435 839 H SER 102 HN SER 102 -6.847 -4.413 14.790 840 HA SER 102 HA SER 102 -4.193 -5.706 14.771 841 1HB SER 102 HB2 SER 102 -6.554 -6.138 16.194 842 2HB SER 102 HB1 SER 102 -6.479 -7.489 15.067 843 HG SER 102 HG SER 102 -5.322 -7.974 16.945 844 H CYS 103 HN CYS 103 -3.412 -6.768 13.014 845 HA CYS 103 HA CYS 103 -5.209 -8.133 11.142 846 1HB CYS 103 HB2 CYS 103 -3.823 -5.562 10.480 847 2HB CYS 103 HB1 CYS 103 -3.895 -6.811 9.236 848 HA PRO 104 HA PRO 104 -0.932 -9.818 12.056 849 1HB PRO 104 HB2 PRO 104 -2.192 -12.370 12.426 850 2HB PRO 104 HB1 PRO 104 -1.405 -11.360 13.647 851 1HG PRO 104 HG2 PRO 104 -4.240 -11.834 13.293 852 2HG PRO 104 HG1 PRO 104 -3.441 -10.881 14.550 853 1HD PRO 104 HD2 PRO 104 -4.980 -9.899 12.336 854 2HD PRO 104 HD1 PRO 104 -4.104 -8.952 13.555 855 H VAL 105 HN VAL 105 -0.605 -9.510 9.719 856 HA VAL 105 HA VAL 105 -1.813 -11.275 7.778 857 HB VAL 105 HB VAL 105 0.205 -9.153 7.780 858 1HG1 VAL 105 HG13 VAL 105 0.630 -11.579 6.010 859 2HG1 VAL 105 HG12 VAL 105 1.348 -9.998 5.706 860 3HG1 VAL 105 HG11 VAL 105 1.774 -10.892 7.164 861 1HG2 VAL 105 HG22 VAL 105 -1.925 -10.284 6.006 862 2HG2 VAL 105 HG21 VAL 105 -1.723 -8.636 6.602 863 3HG2 VAL 105 HG23 VAL 105 -0.712 -9.227 5.284 864 H LYS 106 HN LYS 106 -1.311 -13.396 7.405 865 HA LYS 106 HA LYS 106 1.357 -14.445 7.532 866 1HB LYS 106 HB2 LYS 106 0.175 -14.146 10.051 867 2HB LYS 106 HB1 LYS 106 -0.032 -15.855 9.662 868 1HG LYS 106 HG2 LYS 106 2.287 -16.211 9.439 869 2HG LYS 106 HG1 LYS 106 2.622 -14.491 9.244 870 1HD LYS 106 HD2 LYS 106 3.299 -15.150 11.482 871 2HD LYS 106 HD1 LYS 106 1.862 -14.136 11.612 872 1HE LYS 106 HE2 LYS 106 1.139 -16.929 11.274 873 2HE LYS 106 HE1 LYS 106 2.189 -16.711 12.675 874 1HZ LYS 106 HZ3 LYS 106 0.674 -14.807 13.284 875 2HZ LYS 106 HZ2 LYS 106 -0.404 -15.397 12.110 876 3HZ LYS 106 HZ1 LYS 106 0.017 -16.362 13.444 877 H GLU 107 HN GLU 107 -0.919 -14.586 5.760 878 HA GLU 107 HA GLU 107 -1.208 -17.545 5.685 879 1HB GLU 107 HB2 GLU 107 -3.621 -17.058 4.812 880 2HB GLU 107 HB1 GLU 107 -3.334 -17.014 6.551 881 1HG GLU 107 HG2 GLU 107 -3.496 -14.708 6.663 882 2HG GLU 107 HG1 GLU 107 -2.948 -14.485 5.000 883 H ALA 108 HN ALA 108 0.624 -16.762 4.201 884 HA ALA 108 HA ALA 108 -0.246 -17.164 1.516 885 1HB ALA 108 HB1 ALA 108 -0.825 -14.643 2.136 886 2HB ALA 108 HB3 ALA 108 0.891 -14.411 1.799 887 3HB ALA 108 HB2 ALA 108 -0.172 -15.062 0.552 888 H ASP 109 HN ASP 109 1.697 -16.506 0.017 889 HA ASP 109 HA ASP 109 4.159 -17.480 1.376 890 1HB ASP 109 HB2 ASP 109 2.982 -17.846 -1.293 891 2HB ASP 109 HB1 ASP 109 4.701 -17.451 -1.338 892 H GLN 110 HN GLN 110 6.117 -16.515 -0.297 893 HA GLN 110 HA GLN 110 5.875 -13.593 0.199 894 1HB GLN 110 HB2 GLN 110 8.332 -13.518 0.057 895 2HB GLN 110 HB1 GLN 110 7.801 -14.683 1.267 896 1HG GLN 110 HG2 GLN 110 7.943 -16.342 -0.829 897 2HG GLN 110 HG1 GLN 110 9.113 -15.143 -1.369 898 1HE2 GLN 110 HE22 GLN 110 11.568 -16.682 0.624 899 2HE2 GLN 110 HE21 GLN 110 11.132 -16.058 -0.894 900 H SER 111 HN SER 111 4.832 -12.855 -1.639 901 HA SER 111 HA SER 111 5.912 -13.590 -4.295 902 1HB SER 111 HB2 SER 111 3.992 -12.437 -5.195 903 2HB SER 111 HB1 SER 111 3.424 -13.416 -3.846 904 HG SER 111 HG SER 111 3.300 -10.763 -4.178 905 H THR 112 HN THR 112 7.179 -12.185 -5.492 906 HA THR 112 HA THR 112 8.665 -10.152 -4.269 907 HB THR 112 HB THR 112 9.251 -9.415 -6.550 908 HG1 THR 112 HG1 THR 112 8.156 -10.639 -8.256 909 1HG2 THR 112 HG21 THR 112 9.976 -11.671 -5.427 910 2HG2 THR 112 HG23 THR 112 8.968 -12.402 -6.677 911 3HG2 THR 112 HG22 THR 112 10.344 -11.397 -7.130 912 H LEU 113 HN LEU 113 8.481 -7.899 -4.145 913 HA LEU 113 HA LEU 113 5.926 -6.804 -3.708 914 1HB LEU 113 HB2 LEU 113 8.384 -5.928 -3.166 915 2HB LEU 113 HB1 LEU 113 8.095 -4.970 -4.618 916 HG LEU 113 HG LEU 113 5.855 -5.053 -2.676 917 1HD1 LEU 113 HD13 LEU 113 8.417 -4.636 -1.648 918 2HD1 LEU 113 HD12 LEU 113 7.789 -3.009 -1.914 919 3HD1 LEU 113 HD11 LEU 113 6.902 -4.141 -0.896 920 1HD2 LEU 113 HD22 LEU 113 6.979 -3.330 -4.760 921 2HD2 LEU 113 HD21 LEU 113 5.326 -3.419 -4.152 922 3HD2 LEU 113 HD23 LEU 113 6.522 -2.429 -3.315 923 H GLU 114 HN GLU 114 7.568 -7.266 -6.742 924 HA GLU 114 HA GLU 114 6.411 -5.191 -8.274 925 1HB GLU 114 HB2 GLU 114 8.068 -7.234 -8.858 926 2HB GLU 114 HB1 GLU 114 6.571 -7.875 -9.535 927 1HG GLU 114 HG2 GLU 114 6.282 -5.653 -10.726 928 2HG GLU 114 HG1 GLU 114 7.923 -5.255 -10.218 929 H ASN 115 HN ASN 115 5.176 -8.536 -7.963 930 HA ASN 115 HA ASN 115 2.623 -7.831 -9.144 931 1HB ASN 115 HB2 ASN 115 3.759 -10.147 -9.091 932 2HB ASN 115 HB1 ASN 115 3.129 -10.277 -7.449 933 1HD2 ASN 115 HD22 ASN 115 0.498 -11.730 -9.591 934 2HD2 ASN 115 HD21 ASN 115 2.061 -12.145 -9.072 935 H PHE 116 HN PHE 116 3.887 -7.464 -5.964 936 HA PHE 116 HA PHE 116 1.367 -7.759 -4.549 937 1HB PHE 116 HB2 PHE 116 3.375 -7.953 -3.249 938 2HB PHE 116 HB1 PHE 116 3.992 -6.418 -3.859 939 HD1 PHE 116 HD1 PHE 116 0.937 -7.756 -2.125 940 HD2 PHE 116 HD2 PHE 116 3.772 -4.551 -2.499 941 HE1 PHE 116 HE1 PHE 116 -0.175 -6.553 -0.260 942 HE2 PHE 116 HE2 PHE 116 2.661 -3.349 -0.636 943 HZ PHE 116 HZ PHE 116 0.687 -4.350 0.482 944 H LEU 117 HN LEU 117 3.319 -4.816 -5.109 945 HA LEU 117 HA LEU 117 1.236 -2.970 -4.624 946 1HB LEU 117 HB2 LEU 117 3.922 -2.837 -5.463 947 2HB LEU 117 HB1 LEU 117 2.998 -2.034 -6.732 948 HG LEU 117 HG LEU 117 3.567 -0.370 -5.076 949 1HD1 LEU 117 HD13 LEU 117 1.021 -0.842 -5.929 950 2HD1 LEU 117 HD12 LEU 117 0.788 -0.862 -4.181 951 3HD1 LEU 117 HD11 LEU 117 1.486 0.558 -4.962 952 1HD2 LEU 117 HD23 LEU 117 2.386 -2.350 -3.107 953 2HD2 LEU 117 HD22 LEU 117 4.057 -1.793 -3.180 954 3HD2 LEU 117 HD21 LEU 117 2.776 -0.679 -2.700 955 H GLU 118 HN GLU 118 1.994 -4.904 -7.456 956 HA GLU 118 HA GLU 118 0.436 -3.497 -9.384 957 1HB GLU 118 HB2 GLU 118 2.022 -5.375 -9.885 958 2HB GLU 118 HB1 GLU 118 0.860 -6.495 -9.176 959 1HG GLU 118 HG2 GLU 118 -0.833 -5.756 -10.835 960 2HG GLU 118 HG1 GLU 118 0.374 -4.702 -11.572 961 NH1 ARG 119 NH2 ARG 119 -5.078 -9.353 -10.360 962 NH2 ARG 119 NH1 ARG 119 -3.859 -7.962 -11.657 963 H ARG 119 HN ARG 119 -0.439 -6.240 -7.280 964 HA ARG 119 HA ARG 119 -3.216 -6.276 -8.029 965 1HB ARG 119 HB2 ARG 119 -1.700 -7.333 -5.631 966 2HB ARG 119 HB1 ARG 119 -3.444 -7.540 -5.806 967 1HG ARG 119 HG2 ARG 119 -1.428 -8.400 -7.899 968 2HG ARG 119 HG1 ARG 119 -2.096 -9.482 -6.676 969 1HD ARG 119 HD2 ARG 119 -3.705 -9.876 -8.240 970 2HD ARG 119 HD1 ARG 119 -4.376 -8.348 -7.667 971 HE ARG 119 HE ARG 119 -2.562 -7.580 -9.611 972 1HH1 ARG 119 HH21 ARG 119 -5.265 -9.785 -9.479 973 2HH1 ARG 119 HH22 ARG 119 -5.657 -9.564 -11.147 974 1HH2 ARG 119 HH11 ARG 119 -3.100 -7.319 -11.770 975 2HH2 ARG 119 HH12 ARG 119 -4.446 -8.184 -12.436 976 H LEU 120 HN LEU 120 -1.414 -4.117 -6.010 977 HA LEU 120 HA LEU 120 -3.664 -3.374 -4.306 978 1HB LEU 120 HB2 LEU 120 -0.869 -2.771 -4.461 979 2HB LEU 120 HB1 LEU 120 -1.760 -1.249 -4.498 980 HG LEU 120 HG LEU 120 -2.058 -3.450 -2.433 981 1HD1 LEU 120 HD11 LEU 120 -0.963 -0.624 -2.273 982 2HD1 LEU 120 HD13 LEU 120 -1.198 -1.694 -0.893 983 3HD1 LEU 120 HD12 LEU 120 -0.025 -2.111 -2.141 984 1HD2 LEU 120 HD23 LEU 120 -3.882 -1.402 -3.293 985 2HD2 LEU 120 HD22 LEU 120 -4.085 -2.572 -1.989 986 3HD2 LEU 120 HD21 LEU 120 -3.323 -1.014 -1.666 987 H LYS 121 HN LYS 121 -2.094 -2.019 -7.183 988 HA LYS 121 HA LYS 121 -3.787 0.282 -7.464 989 1HB LYS 121 HB2 LYS 121 -1.518 -0.395 -8.628 990 2HB LYS 121 HB1 LYS 121 -2.583 -1.155 -9.809 991 1HG LYS 121 HG2 LYS 121 -3.705 0.960 -10.232 992 2HG LYS 121 HG1 LYS 121 -2.779 1.748 -8.954 993 1HD LYS 121 HD2 LYS 121 -1.895 2.141 -11.302 994 2HD LYS 121 HD1 LYS 121 -0.718 1.476 -10.167 995 1HE LYS 121 HE2 LYS 121 -0.992 -0.743 -11.052 996 2HE LYS 121 HE1 LYS 121 -2.383 -0.249 -12.017 997 1HZ LYS 121 HZ2 LYS 121 0.258 1.019 -12.380 998 2HZ LYS 121 HZ1 LYS 121 -0.134 -0.434 -13.169 999 3HZ LYS 121 HZ3 LYS 121 -1.052 0.962 -13.460 1000 H THR 122 HN THR 122 -4.057 -3.063 -8.455 1001 HA THR 122 HA THR 122 -6.260 -2.614 -10.296 1002 HB THR 122 HB THR 122 -6.256 -5.323 -9.413 1003 HG1 THR 122 HG1 THR 122 -3.854 -5.429 -10.167 1004 1HG2 THR 122 HG23 THR 122 -6.643 -4.289 -11.705 1005 2HG2 THR 122 HG22 THR 122 -4.891 -4.140 -11.836 1006 3HG2 THR 122 HG21 THR 122 -5.632 -5.734 -11.688 1007 H ILE 123 HN ILE 123 -6.066 -3.964 -7.012 1008 HA ILE 123 HA ILE 123 -8.848 -4.442 -6.670 1009 HB ILE 123 HB ILE 123 -6.678 -3.771 -4.674 1010 1HG1 ILE 123 HG12 ILE 123 -6.393 -5.895 -5.908 1011 2HG1 ILE 123 HG11 ILE 123 -6.771 -6.199 -4.213 1012 1HG2 ILE 123 HG22 ILE 123 -9.579 -4.513 -4.298 1013 2HG2 ILE 123 HG21 ILE 123 -8.375 -4.868 -3.059 1014 3HG2 ILE 123 HG23 ILE 123 -8.675 -3.200 -3.544 1015 1HD1 ILE 123 HD11 ILE 123 -9.214 -6.394 -4.923 1016 2HD1 ILE 123 HD13 ILE 123 -8.635 -6.403 -6.589 1017 3HD1 ILE 123 HD12 ILE 123 -8.155 -7.687 -5.481 1018 H MET 124 HN MET 124 -6.931 -1.513 -6.299 1019 HA MET 124 HA MET 124 -9.009 -0.026 -4.930 1020 1HB MET 124 HB2 MET 124 -6.669 1.053 -6.513 1021 2HB MET 124 HB1 MET 124 -7.611 1.918 -5.301 1022 1HG MET 124 HG2 MET 124 -6.490 -0.638 -4.358 1023 2HG MET 124 HG1 MET 124 -5.288 0.576 -4.785 1024 1HE MET 124 HE3 MET 124 -5.494 2.787 -4.434 1025 2HE MET 124 HE2 MET 124 -6.456 3.668 -3.250 1026 3HE MET 124 HE1 MET 124 -4.922 2.950 -2.768 1027 NH1 ARG 125 NH2 ARG 125 -6.950 5.535 -12.258 1028 NH2 ARG 125 NH1 ARG 125 -4.710 5.254 -12.187 1029 H ARG 125 HN ARG 125 -7.796 0.155 -8.295 1030 HA ARG 125 HA ARG 125 -9.778 2.036 -9.139 1031 1HB ARG 125 HB2 ARG 125 -8.322 0.005 -10.849 1032 2HB ARG 125 HB1 ARG 125 -9.078 1.498 -11.404 1033 1HG ARG 125 HG2 ARG 125 -7.097 1.804 -9.217 1034 2HG ARG 125 HG1 ARG 125 -6.443 1.307 -10.776 1035 1HD ARG 125 HD2 ARG 125 -8.042 3.248 -11.658 1036 2HD ARG 125 HD1 ARG 125 -7.817 3.851 -10.018 1037 HE ARG 125 HE ARG 125 -5.246 3.239 -10.895 1038 1HH1 ARG 125 HH21 ARG 125 -7.875 5.237 -12.026 1039 2HH1 ARG 125 HH22 ARG 125 -6.819 6.373 -12.788 1040 1HH2 ARG 125 HH11 ARG 125 -3.908 4.733 -11.897 1041 2HH2 ARG 125 HH12 ARG 125 -4.595 6.094 -12.720 1042 H GLU 126 HN GLU 126 -9.968 -1.437 -8.746 1043 HA GLU 126 HA GLU 126 -12.353 -1.580 -10.477 1044 1HB GLU 126 HB2 GLU 126 -10.756 -3.634 -8.954 1045 2HB GLU 126 HB1 GLU 126 -12.295 -4.032 -9.722 1046 1HG GLU 126 HG2 GLU 126 -11.474 -3.459 -11.891 1047 2HG GLU 126 HG1 GLU 126 -10.042 -2.679 -11.218 1048 H LYS 127 HN LYS 127 -11.627 -1.803 -6.994 1049 HA LYS 127 HA LYS 127 -14.470 -2.342 -6.421 1050 1HB LYS 127 HB2 LYS 127 -11.998 -2.122 -4.710 1051 2HB LYS 127 HB1 LYS 127 -13.611 -2.241 -4.004 1052 1HG LYS 127 HG2 LYS 127 -13.934 -4.309 -5.495 1053 2HG LYS 127 HG1 LYS 127 -12.189 -4.254 -5.751 1054 1HD LYS 127 HD2 LYS 127 -12.115 -5.539 -3.869 1055 2HD LYS 127 HD1 LYS 127 -12.308 -3.995 -3.039 1056 1HE LYS 127 HE2 LYS 127 -14.371 -4.548 -2.310 1057 2HE LYS 127 HE1 LYS 127 -14.872 -5.068 -3.920 1058 1HZ LYS 127 HZ2 LYS 127 -12.996 -6.807 -2.550 1059 2HZ LYS 127 HZ1 LYS 127 -14.552 -6.731 -1.876 1060 3HZ LYS 127 HZ3 LYS 127 -14.353 -7.197 -3.495 1061 OH TYR 128 OH TYR 128 -11.568 7.017 -8.708 1062 H TYR 128 HN TYR 128 -12.126 0.265 -5.723 1063 HA TYR 128 HA TYR 128 -13.954 1.917 -4.291 1064 1HB TYR 128 HB2 TYR 128 -12.097 3.130 -3.997 1065 2HB TYR 128 HB1 TYR 128 -11.255 2.058 -5.109 1066 HD1 TYR 128 HD2 TYR 128 -11.560 2.580 -7.678 1067 HD2 TYR 128 HD1 TYR 128 -12.353 5.387 -4.522 1068 HE1 TYR 128 HE2 TYR 128 -11.324 4.449 -9.284 1069 HE2 TYR 128 HE1 TYR 128 -12.113 7.258 -6.132 1070 HH TYR 128 HH TYR 128 -12.351 7.567 -8.646 1071 H SER 129 HN SER 129 -13.930 1.185 -7.643 1072 HA SER 129 HA SER 129 -15.192 3.741 -8.403 1073 1HB SER 129 HB2 SER 129 -14.239 1.311 -9.872 1074 2HB SER 129 HB1 SER 129 -15.430 2.358 -10.639 1075 HG SER 129 HG SER 129 -13.060 2.823 -10.909 1076 H LYS 130 HN LYS 130 -16.496 1.668 -6.524 1077 HA LYS 130 HA LYS 130 -19.157 1.864 -7.725 1078 1HB LYS 130 HB2 LYS 130 -17.926 -0.327 -8.539 1079 2HB LYS 130 HB1 LYS 130 -18.323 -0.907 -6.922 1080 1HG LYS 130 HG2 LYS 130 -20.661 -0.623 -7.283 1081 2HG LYS 130 HG1 LYS 130 -20.393 0.342 -8.736 1082 1HD LYS 130 HD2 LYS 130 -20.041 -1.493 -10.049 1083 2HD LYS 130 HD1 LYS 130 -19.191 -2.365 -8.774 1084 1HE LYS 130 HE2 LYS 130 -21.200 -3.576 -9.034 1085 2HE LYS 130 HE1 LYS 130 -21.510 -2.549 -7.634 1086 1HZ LYS 130 HZ1 LYS 130 -22.542 -0.932 -9.157 1087 2HZ LYS 130 HZ3 LYS 130 -22.344 -2.028 -10.435 1088 3HZ LYS 130 HZ2 LYS 130 -23.358 -2.422 -9.129 1089 H CYS 131 HN CYS 131 -18.058 3.012 -5.409 1090 HA CYS 131 HA CYS 131 -18.352 1.606 -2.993 1091 1HB CYS 131 HB2 CYS 131 -17.742 4.167 -3.612 1092 2HB CYS 131 HB1 CYS 131 -19.392 4.390 -3.031 1093 H SER 132 HN SER 132 -20.866 3.490 -4.722 1094 HA SER 132 HA SER 132 -22.888 1.811 -3.293 1095 1HB SER 132 HB2 SER 132 -24.221 4.160 -3.820 1096 2HB SER 132 HB1 SER 132 -23.506 3.738 -2.267 1097 HG SER 132 HG SER 132 -22.822 5.794 -3.138 1098 H SER 133 HN SER 133 -24.745 1.273 -4.530 1099 HA SER 133 HA SER 133 -24.818 2.170 -7.356 1100 1HB SER 133 HB2 SER 133 -25.354 -0.631 -7.356 1101 2HB SER 133 HB1 SER 133 -24.045 0.221 -8.169 1102 HG SER 133 HG SER 133 -22.828 -0.796 -6.791 Start of MODEL 6 Raw file had 1102 H/Q atoms Start of MODEL 6 1 1H GLU 1 HT2 GLU 1 -25.433 23.569 0.220 2 2H GLU 1 HT1 GLU 1 -25.829 23.492 -1.430 3 3H GLU 1 HT3 GLU 1 -26.202 22.190 -0.409 4 HA GLU 1 HA GLU 1 -24.319 21.429 -1.470 5 1HB GLU 1 HB2 GLU 1 -22.294 23.042 -1.633 6 2HB GLU 1 HB1 GLU 1 -23.647 23.309 -2.733 7 1HG GLU 1 HG2 GLU 1 -24.404 25.181 -1.566 8 2HG GLU 1 HG1 GLU 1 -23.631 24.680 -0.062 9 H ALA 2 HN ALA 2 -25.054 21.004 1.095 10 HA ALA 2 HA ALA 2 -22.451 21.135 2.549 11 1HB ALA 2 HB1 ALA 2 -24.830 22.498 3.274 12 2HB ALA 2 HB3 ALA 2 -24.654 21.156 4.404 13 3HB ALA 2 HB2 ALA 2 -23.354 22.335 4.225 14 H GLU 3 HN GLU 3 -23.589 18.975 0.976 15 HA GLU 3 HA GLU 3 -24.557 17.041 3.003 16 1HB GLU 3 HB2 GLU 3 -24.486 17.162 0.022 17 2HB GLU 3 HB1 GLU 3 -24.426 15.564 0.768 18 1HG GLU 3 HG2 GLU 3 -26.597 15.665 1.394 19 2HG GLU 3 HG1 GLU 3 -26.421 17.309 2.010 20 H ALA 4 HN ALA 4 -23.479 14.680 2.291 21 HA ALA 4 HA ALA 4 -20.576 14.905 1.911 22 1HB ALA 4 HB1 ALA 4 -21.427 15.227 4.481 23 2HB ALA 4 HB3 ALA 4 -21.251 13.473 4.417 24 3HB ALA 4 HB2 ALA 4 -19.874 14.512 4.050 25 H HIS 5 HN HIS 5 -19.582 12.746 1.698 26 HA HIS 5 HA HIS 5 -21.582 10.556 1.328 27 1HB HIS 5 HB2 HIS 5 -19.777 11.787 -0.638 28 2HB HIS 5 HB1 HIS 5 -19.618 10.034 -0.552 29 HD1 HIS 5 HD1 HIS 5 -20.761 10.177 -3.023 30 HD2 HIS 5 HD2 HIS 5 -23.219 11.151 0.200 31 HE1 HIS 5 HE1 HIS 5 -23.142 10.063 -3.878 32 H LYS 6 HN LYS 6 -19.983 8.464 0.764 33 HA LYS 6 HA LYS 6 -17.763 8.488 2.742 34 1HB LYS 6 HB2 LYS 6 -18.573 6.304 3.645 35 2HB LYS 6 HB1 LYS 6 -19.670 7.643 3.986 36 1HG LYS 6 HG2 LYS 6 -20.234 6.353 1.421 37 2HG LYS 6 HG1 LYS 6 -20.382 5.244 2.785 38 1HD LYS 6 HD2 LYS 6 -22.207 6.316 3.621 39 2HD LYS 6 HD1 LYS 6 -21.563 7.913 3.238 40 1HE LYS 6 HE2 LYS 6 -23.492 7.584 1.838 41 2HE LYS 6 HE1 LYS 6 -22.071 7.425 0.804 42 1HZ LYS 6 HZ2 LYS 6 -23.569 5.175 2.036 43 2HZ LYS 6 HZ1 LYS 6 -23.669 5.652 0.409 44 3HZ LYS 6 HZ3 LYS 6 -22.215 5.031 1.020 45 H CYS 7 HN CYS 7 -17.098 8.593 0.226 46 HA CYS 7 HA CYS 7 -15.690 6.168 -0.316 47 1HB CYS 7 HB2 CYS 7 -17.648 5.086 -1.043 48 2HB CYS 7 HB1 CYS 7 -18.308 6.558 -1.756 49 H ASP 8 HN ASP 8 -17.162 9.083 -1.692 50 HA ASP 8 HA ASP 8 -15.106 9.302 -3.764 51 1HB ASP 8 HB2 ASP 8 -17.675 10.429 -3.269 52 2HB ASP 8 HB1 ASP 8 -16.524 11.762 -3.371 53 H ILE 9 HN ILE 9 -15.388 10.290 -0.456 54 HA ILE 9 HA ILE 9 -13.441 12.478 -0.835 55 HB ILE 9 HB ILE 9 -14.664 11.465 1.743 56 1HG1 ILE 9 HG12 ILE 9 -15.634 13.376 -0.366 57 2HG1 ILE 9 HG11 ILE 9 -16.542 12.163 0.536 58 1HG2 ILE 9 HG23 ILE 9 -12.549 12.912 1.768 59 2HG2 ILE 9 HG22 ILE 9 -13.545 14.196 1.083 60 3HG2 ILE 9 HG21 ILE 9 -13.928 13.536 2.673 61 1HD1 ILE 9 HD12 ILE 9 -16.018 13.583 2.622 62 2HD1 ILE 9 HD11 ILE 9 -15.568 14.855 1.487 63 3HD1 ILE 9 HD13 ILE 9 -17.213 14.221 1.492 64 H THR 10 HN THR 10 -13.569 9.829 1.567 65 HA THR 10 HA THR 10 -10.692 9.883 1.885 66 HB THR 10 HB THR 10 -12.532 7.684 2.818 67 HG1 THR 10 HG1 THR 10 -13.253 8.978 4.355 68 1HG2 THR 10 HG22 THR 10 -9.886 7.824 3.044 69 2HG2 THR 10 HG21 THR 10 -10.295 8.878 4.396 70 3HG2 THR 10 HG23 THR 10 -10.883 7.215 4.364 71 H LEU 11 HN LEU 11 -12.917 7.716 0.130 72 HA LEU 11 HA LEU 11 -10.799 5.810 -0.434 73 1HB LEU 11 HB2 LEU 11 -13.578 5.783 -0.636 74 2HB LEU 11 HB1 LEU 11 -13.024 5.709 -2.310 75 HG LEU 11 HG LEU 11 -11.502 3.839 -1.708 76 1HD1 LEU 11 HD12 LEU 11 -12.306 4.653 0.971 77 2HD1 LEU 11 HD11 LEU 11 -12.551 2.925 0.717 78 3HD1 LEU 11 HD13 LEU 11 -10.956 3.636 0.471 79 1HD2 LEU 11 HD21 LEU 11 -14.448 3.551 -1.077 80 2HD2 LEU 11 HD23 LEU 11 -13.616 3.159 -2.584 81 3HD2 LEU 11 HD22 LEU 11 -13.358 2.165 -1.150 82 H GLN 12 HN GLN 12 -12.102 8.626 -2.141 83 HA GLN 12 HA GLN 12 -10.695 7.994 -4.605 84 1HB GLN 12 HB2 GLN 12 -11.847 9.742 -5.448 85 2HB GLN 12 HB1 GLN 12 -12.661 9.817 -3.891 86 1HG GLN 12 HG2 GLN 12 -10.943 11.404 -3.071 87 2HG GLN 12 HG1 GLN 12 -10.139 11.338 -4.642 88 1HE2 GLN 12 HE22 GLN 12 -13.086 12.928 -6.244 89 2HE2 GLN 12 HE21 GLN 12 -12.211 11.489 -6.453 90 H GLU 13 HN GLU 13 -10.016 10.045 -1.780 91 HA GLU 13 HA GLU 13 -7.542 11.098 -2.821 92 1HB GLU 13 HB2 GLU 13 -8.912 11.005 -0.189 93 2HB GLU 13 HB1 GLU 13 -7.156 11.170 -0.132 94 1HG GLU 13 HG2 GLU 13 -8.469 12.884 -2.140 95 2HG GLU 13 HG1 GLU 13 -8.894 13.266 -0.472 96 H ILE 14 HN ILE 14 -8.426 8.177 -1.072 97 HA ILE 14 HA ILE 14 -5.717 7.335 -0.497 98 HB ILE 14 HB ILE 14 -8.427 6.289 -0.174 99 1HG1 ILE 14 HG12 ILE 14 -6.059 5.237 1.307 100 2HG1 ILE 14 HG11 ILE 14 -6.424 6.955 1.474 101 1HG2 ILE 14 HG22 ILE 14 -6.206 4.381 -0.967 102 2HG2 ILE 14 HG21 ILE 14 -7.682 3.881 -0.146 103 3HG2 ILE 14 HG23 ILE 14 -7.770 4.584 -1.760 104 1HD1 ILE 14 HD12 ILE 14 -8.674 4.996 1.724 105 2HD1 ILE 14 HD11 ILE 14 -7.558 5.168 3.079 106 3HD1 ILE 14 HD13 ILE 14 -8.463 6.565 2.499 107 H ILE 15 HN ILE 15 -7.889 7.009 -3.239 108 HA ILE 15 HA ILE 15 -6.430 4.911 -4.578 109 HB ILE 15 HB ILE 15 -8.410 7.001 -5.499 110 1HG1 ILE 15 HG12 ILE 15 -8.717 4.023 -5.707 111 2HG1 ILE 15 HG11 ILE 15 -8.900 4.787 -4.127 112 1HG2 ILE 15 HG23 ILE 15 -6.665 5.175 -7.092 113 2HG2 ILE 15 HG22 ILE 15 -8.347 5.338 -7.595 114 3HG2 ILE 15 HG21 ILE 15 -7.311 6.763 -7.512 115 1HD1 ILE 15 HD11 ILE 15 -10.360 6.443 -5.813 116 2HD1 ILE 15 HD13 ILE 15 -10.707 4.827 -6.425 117 3HD1 ILE 15 HD12 ILE 15 -11.032 5.218 -4.737 118 H LYS 16 HN LYS 16 -6.360 8.465 -4.797 119 HA LYS 16 HA LYS 16 -4.453 8.629 -6.912 120 1HB LYS 16 HB2 LYS 16 -5.715 10.434 -5.033 121 2HB LYS 16 HB1 LYS 16 -4.005 10.829 -5.213 122 1HG LYS 16 HG2 LYS 16 -4.256 11.501 -7.372 123 2HG LYS 16 HG1 LYS 16 -5.389 10.200 -7.743 124 1HD LYS 16 HD2 LYS 16 -6.344 12.329 -5.891 125 2HD LYS 16 HD1 LYS 16 -6.167 12.766 -7.591 126 1HE LYS 16 HE2 LYS 16 -7.404 10.371 -7.857 127 2HE LYS 16 HE1 LYS 16 -8.074 10.888 -6.310 128 1HZ LYS 16 HZ2 LYS 16 -8.130 13.117 -7.917 129 2HZ LYS 16 HZ1 LYS 16 -8.646 11.848 -8.922 130 3HZ LYS 16 HZ3 LYS 16 -9.457 12.158 -7.465 131 H THR 17 HN THR 17 -4.016 8.629 -3.376 132 HA THR 17 HA THR 17 -1.190 8.920 -3.368 133 HB THR 17 HB THR 17 -2.619 7.184 -1.364 134 HG1 THR 17 HG1 THR 17 -3.692 8.850 -0.617 135 1HG2 THR 17 HG22 THR 17 -0.190 7.573 -1.141 136 2HG2 THR 17 HG21 THR 17 -0.472 9.314 -1.144 137 3HG2 THR 17 HG23 THR 17 -1.082 8.324 0.182 138 H LEU 18 HN LEU 18 -3.207 5.991 -3.569 139 HA LEU 18 HA LEU 18 -1.107 4.092 -3.426 140 1HB LEU 18 HB2 LEU 18 -3.573 3.602 -3.362 141 2HB LEU 18 HB1 LEU 18 -3.600 3.816 -5.112 142 HG LEU 18 HG LEU 18 -1.413 2.085 -4.390 143 1HD1 LEU 18 HD11 LEU 18 -3.370 1.802 -2.517 144 2HD1 LEU 18 HD13 LEU 18 -3.911 0.654 -3.741 145 3HD1 LEU 18 HD12 LEU 18 -2.304 0.496 -3.033 146 1HD2 LEU 18 HD23 LEU 18 -3.309 2.373 -6.421 147 2HD2 LEU 18 HD22 LEU 18 -2.068 1.124 -6.320 148 3HD2 LEU 18 HD21 LEU 18 -3.684 0.812 -5.690 149 H ASN 19 HN ASN 19 -2.373 5.962 -6.153 150 HA ASN 19 HA ASN 19 -0.791 4.591 -8.158 151 1HB ASN 19 HB2 ASN 19 -2.897 6.014 -8.535 152 2HB ASN 19 HB1 ASN 19 -1.842 7.418 -8.370 153 1HD2 ASN 19 HD22 ASN 19 -1.478 7.031 -11.906 154 2HD2 ASN 19 HD21 ASN 19 -2.280 7.908 -10.694 155 H SER 20 HN SER 20 -0.209 7.259 -5.959 156 HA SER 20 HA SER 20 2.047 8.383 -7.340 157 1HB SER 20 HB2 SER 20 1.117 8.444 -4.472 158 2HB SER 20 HB1 SER 20 2.638 9.191 -4.952 159 HG SER 20 HG SER 20 0.383 10.341 -5.055 160 H LEU 21 HN LEU 21 1.776 5.875 -4.816 161 HA LEU 21 HA LEU 21 4.626 5.485 -4.574 162 1HB LEU 21 HB2 LEU 21 2.235 3.790 -3.839 163 2HB LEU 21 HB1 LEU 21 3.889 3.233 -3.577 164 HG LEU 21 HG LEU 21 2.983 5.931 -2.575 165 1HD1 LEU 21 HD11 LEU 21 2.419 3.208 -1.476 166 2HD1 LEU 21 HD13 LEU 21 2.867 4.477 -0.337 167 3HD1 LEU 21 HD12 LEU 21 1.454 4.681 -1.372 168 1HD2 LEU 21 HD22 LEU 21 5.448 4.922 -2.738 169 2HD2 LEU 21 HD21 LEU 21 4.947 5.885 -1.346 170 3HD2 LEU 21 HD23 LEU 21 4.962 4.124 -1.241 171 H THR 22 HN THR 22 2.472 4.658 -7.103 172 HA THR 22 HA THR 22 3.948 2.242 -7.897 173 HB THR 22 HB THR 22 1.374 2.998 -8.288 174 HG1 THR 22 HG1 THR 22 3.108 1.292 -9.688 175 1HG2 THR 22 HG22 THR 22 2.284 4.800 -9.881 176 2HG2 THR 22 HG21 THR 22 2.672 3.471 -10.973 177 3HG2 THR 22 HG23 THR 22 0.998 3.765 -10.502 178 H GLU 23 HN GLU 23 4.384 5.601 -8.329 179 HA GLU 23 HA GLU 23 5.271 5.812 -10.991 180 1HB GLU 23 HB2 GLU 23 6.119 7.854 -10.373 181 2HB GLU 23 HB1 GLU 23 5.153 7.544 -8.931 182 1HG GLU 23 HG2 GLU 23 7.205 6.444 -7.921 183 2HG GLU 23 HG1 GLU 23 8.121 7.074 -9.291 184 H GLN 24 HN GLN 24 6.892 4.423 -8.188 185 HA GLN 24 HA GLN 24 9.073 3.524 -10.026 186 1HB GLN 24 HB2 GLN 24 9.547 5.346 -8.125 187 2HB GLN 24 HB1 GLN 24 9.665 3.899 -7.127 188 1HG GLN 24 HG2 GLN 24 11.826 3.876 -7.861 189 2HG GLN 24 HG1 GLN 24 11.119 3.123 -9.291 190 1HE2 GLN 24 HE22 GLN 24 12.038 7.135 -9.512 191 2HE2 GLN 24 HE21 GLN 24 11.576 6.480 -8.017 192 H LYS 25 HN LYS 25 7.523 1.652 -10.152 193 HA LYS 25 HA LYS 25 7.726 -0.109 -7.747 194 1HB LYS 25 HB2 LYS 25 5.822 -1.366 -8.789 195 2HB LYS 25 HB1 LYS 25 5.417 0.303 -8.390 196 1HG LYS 25 HG2 LYS 25 5.383 0.973 -10.610 197 2HG LYS 25 HG1 LYS 25 6.507 -0.289 -11.116 198 1HD LYS 25 HD2 LYS 25 3.868 -1.158 -10.026 199 2HD LYS 25 HD1 LYS 25 3.889 -0.453 -11.643 200 1HE LYS 25 HE2 LYS 25 5.480 -2.090 -12.418 201 2HE LYS 25 HE1 LYS 25 5.730 -2.698 -10.781 202 1HZ LYS 25 HZ2 LYS 25 3.003 -2.801 -11.267 203 2HZ LYS 25 HZ1 LYS 25 3.753 -3.433 -12.655 204 3HZ LYS 25 HZ3 LYS 25 4.079 -4.108 -11.133 205 H THR 26 HN THR 26 10.036 -0.084 -9.118 206 HA THR 26 HA THR 26 10.018 -2.741 -10.434 207 HB THR 26 HB THR 26 10.215 -1.752 -12.468 208 HG1 THR 26 HG1 THR 26 12.257 -1.813 -12.912 209 1HG2 THR 26 HG22 THR 26 10.881 0.742 -10.897 210 2HG2 THR 26 HG21 THR 26 10.926 0.703 -12.660 211 3HG2 THR 26 HG23 THR 26 9.413 0.389 -11.809 212 H LEU 27 HN LEU 27 12.072 -0.027 -9.346 213 HA LEU 27 HA LEU 27 14.297 -1.868 -8.799 214 1HB LEU 27 HB2 LEU 27 14.315 0.705 -9.510 215 2HB LEU 27 HB1 LEU 27 14.255 0.938 -7.762 216 HG LEU 27 HG LEU 27 16.187 -0.810 -7.698 217 1HD1 LEU 27 HD11 LEU 27 15.730 -1.090 -10.315 218 2HD1 LEU 27 HD13 LEU 27 16.861 0.261 -10.407 219 3HD1 LEU 27 HD12 LEU 27 17.354 -1.250 -9.646 220 1HD2 LEU 27 HD21 LEU 27 16.093 1.952 -7.697 221 2HD2 LEU 27 HD23 LEU 27 17.524 0.988 -7.327 222 3HD2 LEU 27 HD22 LEU 27 17.278 1.613 -8.958 223 H CYS 28 HN CYS 28 12.122 0.200 -6.866 224 HA CYS 28 HA CYS 28 13.106 -0.932 -4.362 225 1HB CYS 28 HB2 CYS 28 11.634 1.336 -5.065 226 2HB CYS 28 HB1 CYS 28 10.488 0.328 -4.179 227 H THR 29 HN THR 29 10.958 -2.062 -6.751 228 HA THR 29 HA THR 29 9.294 -3.582 -4.850 229 HB THR 29 HB THR 29 8.283 -4.513 -6.964 230 HG1 THR 29 HG1 THR 29 10.184 -4.158 -8.229 231 1HG2 THR 29 HG23 THR 29 8.429 -1.527 -6.533 232 2HG2 THR 29 HG22 THR 29 7.315 -2.273 -7.678 233 3HG2 THR 29 HG21 THR 29 7.191 -2.642 -5.958 234 H GLU 30 HN GLU 30 12.392 -3.956 -5.652 235 HA GLU 30 HA GLU 30 12.287 -6.798 -6.429 236 1HB GLU 30 HB2 GLU 30 14.278 -4.640 -6.474 237 2HB GLU 30 HB1 GLU 30 14.941 -6.177 -5.919 238 1HG GLU 30 HG2 GLU 30 13.149 -6.225 -8.304 239 2HG GLU 30 HG1 GLU 30 14.781 -5.589 -8.517 240 H LEU 31 HN LEU 31 11.053 -6.555 -4.049 241 HA LEU 31 HA LEU 31 12.836 -8.024 -2.247 242 1HB LEU 31 HB2 LEU 31 12.063 -6.554 -0.290 243 2HB LEU 31 HB1 LEU 31 13.294 -5.868 -1.345 244 HG LEU 31 HG LEU 31 10.851 -5.119 -2.519 245 1HD1 LEU 31 HD13 LEU 31 10.694 -5.294 0.450 246 2HD1 LEU 31 HD12 LEU 31 10.081 -3.819 -0.294 247 3HD1 LEU 31 HD11 LEU 31 9.404 -5.381 -0.750 248 1HD2 LEU 31 HD21 LEU 31 12.927 -3.742 -0.818 249 2HD2 LEU 31 HD23 LEU 31 12.697 -3.644 -2.564 250 3HD2 LEU 31 HD22 LEU 31 11.554 -2.852 -1.479 251 H THR 32 HN THR 32 11.527 -9.774 -2.417 252 HA THR 32 HA THR 32 8.823 -10.072 -2.714 253 HB THR 32 HB THR 32 9.030 -12.198 -1.408 254 HG1 THR 32 HG1 THR 32 10.556 -12.330 0.000 255 1HG2 THR 32 HG23 THR 32 9.818 -11.869 -3.812 256 2HG2 THR 32 HG22 THR 32 11.448 -11.721 -3.156 257 3HG2 THR 32 HG21 THR 32 10.545 -13.221 -2.945 258 H VAL 33 HN VAL 33 7.097 -10.647 -1.173 259 HA VAL 33 HA VAL 33 7.293 -9.658 1.589 260 HB VAL 33 HB VAL 33 5.329 -8.095 1.232 261 1HG1 VAL 33 HG11 VAL 33 7.778 -7.390 1.386 262 2HG1 VAL 33 HG13 VAL 33 7.765 -7.288 -0.375 263 3HG1 VAL 33 HG12 VAL 33 6.703 -6.248 0.577 264 1HG2 VAL 33 HG22 VAL 33 4.959 -9.238 -1.116 265 2HG2 VAL 33 HG21 VAL 33 4.607 -7.521 -0.910 266 3HG2 VAL 33 HG23 VAL 33 6.120 -8.029 -1.664 267 H THR 34 HN THR 34 4.683 -9.657 2.308 268 HA THR 34 HA THR 34 3.939 -12.455 1.875 269 HB THR 34 HB THR 34 3.335 -10.381 3.806 270 HG1 THR 34 HG1 THR 34 4.092 -12.676 3.963 271 1HG2 THR 34 HG21 THR 34 0.976 -11.929 2.687 272 2HG2 THR 34 HG23 THR 34 0.958 -11.012 4.192 273 3HG2 THR 34 HG22 THR 34 1.183 -10.176 2.660 274 H ASP 35 HN ASP 35 1.946 -13.143 0.918 275 HA ASP 35 HA ASP 35 0.901 -11.205 -1.088 276 1HB ASP 35 HB2 ASP 35 1.814 -13.656 -1.590 277 2HB ASP 35 HB1 ASP 35 0.175 -14.107 -1.129 278 H ILE 36 HN ILE 36 -0.550 -10.102 0.324 279 HA ILE 36 HA ILE 36 -2.452 -11.472 1.995 280 HB ILE 36 HB ILE 36 -3.422 -9.331 2.367 281 1HG1 ILE 36 HG12 ILE 36 -2.155 -8.567 -0.280 282 2HG1 ILE 36 HG11 ILE 36 -3.879 -8.645 0.092 283 1HG2 ILE 36 HG21 ILE 36 -0.793 -9.745 2.754 284 2HG2 ILE 36 HG23 ILE 36 -0.697 -8.367 1.657 285 3HG2 ILE 36 HG22 ILE 36 -1.580 -8.224 3.176 286 1HD1 ILE 36 HD11 ILE 36 -3.499 -6.867 1.839 287 2HD1 ILE 36 HD13 ILE 36 -1.851 -6.706 1.235 288 3HD1 ILE 36 HD12 ILE 36 -3.216 -6.321 0.187 289 H PHE 37 HN PHE 37 -2.318 -11.138 -1.412 290 HA PHE 37 HA PHE 37 -5.263 -11.282 -1.713 291 1HB PHE 37 HB2 PHE 37 -3.077 -11.188 -3.813 292 2HB PHE 37 HB1 PHE 37 -4.810 -11.070 -4.119 293 HD1 PHE 37 HD2 PHE 37 -6.074 -9.213 -2.724 294 HD2 PHE 37 HD1 PHE 37 -1.855 -9.225 -3.524 295 HE1 PHE 37 HE2 PHE 37 -5.985 -6.773 -2.291 296 HE2 PHE 37 HE1 PHE 37 -1.765 -6.784 -3.091 297 HZ PHE 37 HZ PHE 37 -3.831 -5.560 -2.474 298 H ALA 38 HN ALA 38 -3.758 -13.515 -0.504 299 HA ALA 38 HA ALA 38 -4.340 -15.592 -2.577 300 1HB ALA 38 HB3 ALA 38 -1.872 -15.171 -1.702 301 2HB ALA 38 HB2 ALA 38 -2.430 -16.134 -0.335 302 3HB ALA 38 HB1 ALA 38 -2.465 -16.812 -1.962 303 H ALA 39 HN ALA 39 -5.914 -14.324 -0.187 304 HA ALA 39 HA ALA 39 -7.174 -16.813 0.630 305 1HB ALA 39 HB3 ALA 39 -5.256 -15.413 2.440 306 2HB ALA 39 HB2 ALA 39 -6.742 -16.037 3.155 307 3HB ALA 39 HB1 ALA 39 -5.639 -17.131 2.322 308 H SER 40 HN SER 40 -9.186 -16.403 1.749 309 HA SER 40 HA SER 40 -10.017 -13.846 2.693 310 1HB SER 40 HB2 SER 40 -10.214 -14.284 -0.217 311 2HB SER 40 HB1 SER 40 -11.712 -13.745 0.540 312 HG SER 40 HG SER 40 -9.680 -12.267 -0.118 313 H LYS 41 HN LYS 41 -12.385 -13.841 3.184 314 HA LYS 41 HA LYS 41 -13.703 -16.485 2.860 315 1HB LYS 41 HB2 LYS 41 -12.403 -16.262 5.103 316 2HB LYS 41 HB1 LYS 41 -13.697 -15.155 5.563 317 1HG LYS 41 HG2 LYS 41 -15.194 -16.838 5.823 318 2HG LYS 41 HG1 LYS 41 -14.685 -17.630 4.333 319 1HD LYS 41 HD2 LYS 41 -12.570 -17.854 6.265 320 2HD LYS 41 HD1 LYS 41 -14.077 -18.396 7.002 321 1HE LYS 41 HE2 LYS 41 -13.094 -19.330 4.293 322 2HE LYS 41 HE1 LYS 41 -12.835 -20.218 5.794 323 1HZ LYS 41 HZ1 LYS 41 -15.456 -19.744 5.917 324 2HZ LYS 41 HZ3 LYS 41 -15.256 -19.875 4.238 325 3HZ LYS 41 HZ2 LYS 41 -14.784 -21.156 5.251 326 H ASP 42 HN ASP 42 -14.086 -13.194 4.241 327 HA ASP 42 HA ASP 42 -16.674 -12.999 2.815 328 1HB ASP 42 HB2 ASP 42 -16.518 -13.611 5.586 329 2HB ASP 42 HB1 ASP 42 -17.057 -11.937 5.455 330 H THR 43 HN THR 43 -13.910 -11.663 2.849 331 HA THR 43 HA THR 43 -14.988 -8.899 2.848 332 HB THR 43 HB THR 43 -13.953 -8.994 5.012 333 HG1 THR 43 HG1 THR 43 -13.430 -7.138 3.973 334 1HG2 THR 43 HG23 THR 43 -12.544 -11.079 4.303 335 2HG2 THR 43 HG22 THR 43 -11.347 -9.888 3.796 336 3HG2 THR 43 HG21 THR 43 -11.858 -9.963 5.481 337 H THR 44 HN THR 44 -13.480 -7.398 1.697 338 HA THR 44 HA THR 44 -11.333 -8.546 0.108 339 HB THR 44 HB THR 44 -13.409 -7.506 -1.719 340 HG1 THR 44 HG1 THR 44 -14.883 -8.817 -1.042 341 1HG2 THR 44 HG23 THR 44 -11.168 -8.457 -2.353 342 2HG2 THR 44 HG22 THR 44 -11.731 -10.025 -1.775 343 3HG2 THR 44 HG21 THR 44 -12.533 -9.249 -3.142 344 H GLU 45 HN GLU 45 -11.673 -6.225 1.849 345 HA GLU 45 HA GLU 45 -10.311 -4.303 0.249 346 1HB GLU 45 HB2 GLU 45 -11.964 -3.176 -0.759 347 2HB GLU 45 HB1 GLU 45 -13.166 -4.208 0.004 348 1HG GLU 45 HG2 GLU 45 -13.295 -2.747 1.930 349 2HG GLU 45 HG1 GLU 45 -11.922 -1.797 1.359 350 H LYS 46 HN LYS 46 -12.637 -4.303 3.007 351 HA LYS 46 HA LYS 46 -11.041 -2.362 4.442 352 1HB LYS 46 HB2 LYS 46 -12.589 -2.607 6.206 353 2HB LYS 46 HB1 LYS 46 -13.547 -2.902 4.755 354 1HG LYS 46 HG2 LYS 46 -13.057 -5.380 5.084 355 2HG LYS 46 HG1 LYS 46 -12.416 -4.955 6.670 356 1HD LYS 46 HD2 LYS 46 -14.994 -3.696 6.218 357 2HD LYS 46 HD1 LYS 46 -15.101 -5.447 6.032 358 1HE LYS 46 HE2 LYS 46 -13.731 -5.548 8.235 359 2HE LYS 46 HE1 LYS 46 -14.218 -3.865 8.439 360 1HZ LYS 46 HZ2 LYS 46 -16.319 -5.734 7.703 361 2HZ LYS 46 HZ1 LYS 46 -15.683 -5.911 9.269 362 3HZ LYS 46 HZ3 LYS 46 -16.355 -4.429 8.790 363 H GLU 47 HN GLU 47 -11.255 -5.900 4.440 364 HA GLU 47 HA GLU 47 -9.365 -6.149 6.648 365 1HB GLU 47 HB2 GLU 47 -10.701 -8.047 4.752 366 2HB GLU 47 HB1 GLU 47 -9.267 -8.588 5.624 367 1HG GLU 47 HG2 GLU 47 -10.925 -7.216 7.489 368 2HG GLU 47 HG1 GLU 47 -11.949 -8.348 6.609 369 H THR 48 HN THR 48 -9.229 -5.945 3.150 370 HA THR 48 HA THR 48 -6.500 -6.874 2.907 371 HB THR 48 HB THR 48 -7.991 -5.021 1.030 372 HG1 THR 48 HG1 THR 48 -8.537 -7.057 0.011 373 1HG2 THR 48 HG21 THR 48 -5.381 -6.130 1.018 374 2HG2 THR 48 HG23 THR 48 -6.312 -7.005 -0.197 375 3HG2 THR 48 HG22 THR 48 -6.182 -5.248 -0.282 376 H PHE 49 HN PHE 49 -7.972 -3.822 3.793 377 HA PHE 49 HA PHE 49 -5.524 -2.287 3.272 378 1HB PHE 49 HB2 PHE 49 -8.033 -1.531 4.783 379 2HB PHE 49 HB1 PHE 49 -6.726 -0.428 4.397 380 HD1 PHE 49 HD2 PHE 49 -6.135 -1.516 1.587 381 HD2 PHE 49 HD1 PHE 49 -9.796 -0.523 3.596 382 HE1 PHE 49 HE2 PHE 49 -7.218 -1.101 -0.601 383 HE2 PHE 49 HE1 PHE 49 -10.884 -0.110 1.405 384 HZ PHE 49 HZ PHE 49 -9.596 -0.405 -0.691 385 H CYS 50 HN CYS 50 -7.132 -3.753 6.085 386 HA CYS 50 HA CYS 50 -5.301 -2.528 7.984 387 1HB CYS 50 HB2 CYS 50 -6.265 -4.076 9.609 388 2HB CYS 50 HB1 CYS 50 -7.551 -3.391 8.636 389 NH1 ARG 51 NH2 ARG 51 -7.721 -10.737 4.611 390 NH2 ARG 51 NH1 ARG 51 -6.514 -10.552 2.712 391 H ARG 51 HN ARG 51 -5.428 -5.618 6.232 392 HA ARG 51 HA ARG 51 -3.145 -6.831 7.507 393 1HB ARG 51 HB2 ARG 51 -4.768 -7.309 5.035 394 2HB ARG 51 HB1 ARG 51 -3.165 -8.038 5.107 395 1HG ARG 51 HG2 ARG 51 -3.824 -9.580 6.622 396 2HG ARG 51 HG1 ARG 51 -4.669 -8.379 7.599 397 1HD ARG 51 HD2 ARG 51 -6.160 -10.166 6.593 398 2HD ARG 51 HD1 ARG 51 -6.628 -8.517 6.200 399 HE ARG 51 HE ARG 51 -4.963 -9.268 4.107 400 1HH1 ARG 51 HH21 ARG 51 -7.853 -10.549 5.582 401 2HH1 ARG 51 HH22 ARG 51 -8.403 -11.272 4.114 402 1HH2 ARG 51 HH11 ARG 51 -5.711 -10.213 2.223 403 2HH2 ARG 51 HH12 ARG 51 -7.205 -11.089 2.227 404 H ALA 52 HN ALA 52 -3.547 -5.311 4.308 405 HA ALA 52 HA ALA 52 -0.773 -5.173 3.675 406 1HB ALA 52 HB1 ALA 52 -2.885 -4.761 2.192 407 2HB ALA 52 HB3 ALA 52 -2.748 -3.097 2.759 408 3HB ALA 52 HB2 ALA 52 -1.422 -3.836 1.861 409 H ALA 53 HN ALA 53 -2.704 -3.323 5.890 410 HA ALA 53 HA ALA 53 -1.099 -0.921 5.861 411 1HB ALA 53 HB1 ALA 53 -3.225 -2.084 7.606 412 2HB ALA 53 HB3 ALA 53 -2.182 -0.851 8.315 413 3HB ALA 53 HB2 ALA 53 -3.127 -0.484 6.871 414 H THR 54 HN THR 54 -1.046 -3.953 7.714 415 HA THR 54 HA THR 54 1.071 -3.097 9.503 416 HB THR 54 HB THR 54 -0.484 -5.516 9.018 417 HG1 THR 54 HG1 THR 54 1.031 -5.134 11.305 418 1HG2 THR 54 HG21 THR 54 2.471 -5.806 9.621 419 2HG2 THR 54 HG23 THR 54 1.278 -7.071 9.903 420 3HG2 THR 54 HG22 THR 54 1.593 -6.510 8.263 421 H VAL 55 HN VAL 55 1.020 -5.105 6.540 422 HA VAL 55 HA VAL 55 3.840 -5.539 6.438 423 HB VAL 55 HB VAL 55 1.886 -5.337 4.119 424 1HG1 VAL 55 HG11 VAL 55 4.750 -6.070 4.387 425 2HG1 VAL 55 HG13 VAL 55 3.773 -7.172 3.416 426 3HG1 VAL 55 HG12 VAL 55 3.872 -5.465 2.983 427 1HG2 VAL 55 HG22 VAL 55 1.565 -7.036 6.147 428 2HG2 VAL 55 HG21 VAL 55 1.327 -7.565 4.481 429 3HG2 VAL 55 HG23 VAL 55 2.843 -7.918 5.312 430 H LEU 56 HN LEU 56 1.846 -2.791 5.570 431 HA LEU 56 HA LEU 56 3.943 -1.462 4.041 432 1HB LEU 56 HB2 LEU 56 1.158 -0.936 4.734 433 2HB LEU 56 HB1 LEU 56 2.160 0.505 4.900 434 HG LEU 56 HG LEU 56 3.113 -0.069 2.595 435 1HD1 LEU 56 HD13 LEU 56 1.829 -2.431 2.908 436 2HD1 LEU 56 HD12 LEU 56 0.598 -1.537 2.017 437 3HD1 LEU 56 HD11 LEU 56 2.207 -1.745 1.328 438 1HD2 LEU 56 HD21 LEU 56 1.417 1.726 3.068 439 2HD2 LEU 56 HD23 LEU 56 1.277 1.035 1.453 440 3HD2 LEU 56 HD22 LEU 56 0.147 0.553 2.718 441 NH1 ARG 57 NH2 ARG 57 1.502 0.803 14.062 442 NH2 ARG 57 NH1 ARG 57 2.806 2.634 13.845 443 H ARG 57 HN ARG 57 2.869 -1.578 7.381 444 HA ARG 57 HA ARG 57 4.189 0.742 8.363 445 1HB ARG 57 HB2 ARG 57 3.436 -1.906 9.597 446 2HB ARG 57 HB1 ARG 57 4.375 -0.727 10.515 447 1HG ARG 57 HG2 ARG 57 2.508 0.946 9.675 448 2HG ARG 57 HG1 ARG 57 1.561 -0.532 9.506 449 1HD ARG 57 HD2 ARG 57 1.078 -0.150 11.705 450 2HD ARG 57 HD1 ARG 57 2.633 -0.939 11.964 451 HE ARG 57 HE ARG 57 3.293 1.728 11.617 452 1HH1 ARG 57 HH21 ARG 57 1.122 -0.046 13.698 453 2HH1 ARG 57 HH22 ARG 57 1.252 1.103 14.984 454 1HH2 ARG 57 HH11 ARG 57 3.434 3.196 13.307 455 2HH2 ARG 57 HH12 ARG 57 2.546 2.919 14.767 456 H GLN 58 HN GLN 58 5.305 -2.603 7.900 457 HA GLN 58 HA GLN 58 7.990 -2.099 8.838 458 1HB GLN 58 HB2 GLN 58 6.719 -4.243 7.134 459 2HB GLN 58 HB1 GLN 58 8.464 -4.202 7.390 460 1HG GLN 58 HG2 GLN 58 8.232 -4.462 9.743 461 2HG GLN 58 HG1 GLN 58 6.507 -4.100 9.688 462 1HE2 GLN 58 HE22 GLN 58 7.788 -7.887 8.973 463 2HE2 GLN 58 HE21 GLN 58 8.890 -6.635 9.289 464 H PHE 59 HN PHE 59 6.337 -1.811 5.745 465 HA PHE 59 HA PHE 59 8.510 -1.521 3.975 466 1HB PHE 59 HB2 PHE 59 5.860 -1.338 3.677 467 2HB PHE 59 HB1 PHE 59 6.210 0.384 3.752 468 HD1 PHE 59 HD2 PHE 59 8.200 1.205 2.219 469 HD2 PHE 59 HD1 PHE 59 6.027 -2.452 1.639 470 HE1 PHE 59 HE2 PHE 59 8.921 1.153 -0.152 471 HE2 PHE 59 HE1 PHE 59 6.744 -2.503 -0.733 472 HZ PHE 59 HZ PHE 59 8.191 -0.700 -1.629 473 OH TYR 60 OH TYR 60 5.827 3.853 11.685 474 H TYR 60 HN TYR 60 6.976 0.993 6.018 475 HA TYR 60 HA TYR 60 9.124 2.846 5.230 476 1HB TYR 60 HB2 TYR 60 7.744 4.557 5.904 477 2HB TYR 60 HB1 TYR 60 6.519 3.324 5.615 478 HD1 TYR 60 HD2 TYR 60 5.533 2.058 7.505 479 HD2 TYR 60 HD1 TYR 60 8.315 5.270 8.140 480 HE1 TYR 60 HE2 TYR 60 4.857 2.174 9.889 481 HE2 TYR 60 HE1 TYR 60 7.638 5.385 10.523 482 HH TYR 60 HH TYR 60 4.888 3.658 11.736 483 H SER 61 HN SER 61 8.648 0.612 7.734 484 HA SER 61 HA SER 61 10.169 2.211 9.694 485 1HB SER 61 HB2 SER 61 8.512 -0.208 9.752 486 2HB SER 61 HB1 SER 61 9.969 -0.338 10.732 487 HG SER 61 HG SER 61 8.513 0.636 12.033 488 H HIS 62 HN HIS 62 10.553 -1.093 8.424 489 HA HIS 62 HA HIS 62 13.455 -0.919 8.920 490 1HB HIS 62 HB2 HIS 62 11.647 -3.190 8.071 491 2HB HIS 62 HB1 HIS 62 13.392 -3.353 8.275 492 HD1 HIS 62 HD1 HIS 62 12.486 -5.097 10.230 493 HD2 HIS 62 HD2 HIS 62 12.030 -1.019 10.965 494 HE1 HIS 62 HE1 HIS 62 12.114 -4.855 12.724 495 H HIS 63 HN HIS 63 11.335 -1.688 6.129 496 HA HIS 63 HA HIS 63 13.360 -2.087 4.233 497 1HB HIS 63 HB2 HIS 63 11.296 -2.598 3.361 498 2HB HIS 63 HB1 HIS 63 10.524 -1.183 4.070 499 HD1 HIS 63 HD1 HIS 63 13.090 -1.981 1.365 500 HD2 HIS 63 HD2 HIS 63 10.207 0.887 2.263 501 HE1 HIS 63 HE1 HIS 63 13.013 -0.403 -0.612 502 H GLU 64 HN GLU 64 12.341 0.920 5.691 503 HA GLU 64 HA GLU 64 13.786 2.473 3.631 504 1HB GLU 64 HB2 GLU 64 11.712 3.452 4.448 505 2HB GLU 64 HB1 GLU 64 12.278 3.350 6.112 506 1HG GLU 64 HG2 GLU 64 12.485 5.610 4.680 507 2HG GLU 64 HG1 GLU 64 13.683 5.165 5.890 508 H LYS 65 HN LYS 65 15.581 0.836 4.650 509 HA LYS 65 HA LYS 65 17.548 2.505 5.875 510 1HB LYS 65 HB2 LYS 65 15.768 1.769 7.761 511 2HB LYS 65 HB1 LYS 65 16.823 0.355 7.803 512 1HG LYS 65 HG2 LYS 65 18.725 2.221 7.800 513 2HG LYS 65 HG1 LYS 65 17.432 3.195 8.502 514 1HD LYS 65 HD2 LYS 65 17.408 2.002 10.447 515 2HD LYS 65 HD1 LYS 65 17.728 0.472 9.629 516 1HE LYS 65 HE2 LYS 65 19.922 0.621 10.101 517 2HE LYS 65 HE1 LYS 65 20.009 2.216 9.356 518 1HZ LYS 65 HZ1 LYS 65 18.729 2.091 11.960 519 2HZ LYS 65 HZ3 LYS 65 20.398 1.792 11.946 520 3HZ LYS 65 HZ2 LYS 65 19.794 3.253 11.324 521 H ASP 66 HN ASP 66 17.311 0.642 3.684 522 HA ASP 66 HA ASP 66 19.485 -1.246 4.458 523 1HB ASP 66 HB2 ASP 66 16.926 -2.123 4.069 524 2HB ASP 66 HB1 ASP 66 17.572 -2.245 2.434 525 H THR 67 HN THR 67 20.732 -1.976 2.524 526 HA THR 67 HA THR 67 20.948 0.239 0.580 527 HB THR 67 HB THR 67 22.702 -2.211 0.920 528 HG1 THR 67 HG1 THR 67 23.474 0.340 1.709 529 1HG2 THR 67 HG22 THR 67 22.638 0.023 -0.965 530 2HG2 THR 67 HG21 THR 67 24.183 -0.108 -0.126 531 3HG2 THR 67 HG23 THR 67 23.557 -1.480 -1.039 532 NH1 ARG 68 NH2 ARG 68 16.365 -8.337 -2.401 533 NH2 ARG 68 NH1 ARG 68 15.248 -8.732 -0.479 534 H ARG 68 HN ARG 68 18.907 -2.228 0.629 535 HA ARG 68 HA ARG 68 19.485 -3.525 -1.908 536 1HB ARG 68 HB2 ARG 68 17.153 -3.510 -0.006 537 2HB ARG 68 HB1 ARG 68 16.984 -4.223 -1.610 538 1HG ARG 68 HG2 ARG 68 19.460 -5.100 -0.425 539 2HG ARG 68 HG1 ARG 68 18.128 -5.423 0.683 540 1HD ARG 68 HD2 ARG 68 17.570 -6.060 -2.148 541 2HD ARG 68 HD1 ARG 68 18.811 -7.060 -1.392 542 HE ARG 68 HE ARG 68 16.741 -7.026 0.458 543 1HH1 ARG 68 HH21 ARG 68 17.072 -7.854 -2.916 544 2HH1 ARG 68 HH22 ARG 68 15.799 -9.021 -2.860 545 1HH2 ARG 68 HH11 ARG 68 15.096 -8.549 0.493 546 2HH2 ARG 68 HH12 ARG 68 14.690 -9.415 -0.951 547 H CYS 69 HN CYS 69 17.090 -1.082 -0.843 548 HA CYS 69 HA CYS 69 16.410 -0.552 -3.671 549 1HB CYS 69 HB2 CYS 69 14.646 -0.631 -1.865 550 2HB CYS 69 HB1 CYS 69 15.351 0.841 -1.197 551 H LEU 70 HN LEU 70 18.257 0.882 -1.049 552 HA LEU 70 HA LEU 70 18.447 3.547 -1.966 553 1HB LEU 70 HB2 LEU 70 20.504 1.801 -0.587 554 2HB LEU 70 HB1 LEU 70 20.743 3.522 -0.883 555 HG LEU 70 HG LEU 70 18.458 2.310 0.702 556 1HD1 LEU 70 HD12 LEU 70 21.160 3.115 1.400 557 2HD1 LEU 70 HD11 LEU 70 19.972 4.089 2.265 558 3HD1 LEU 70 HD13 LEU 70 19.941 2.330 2.405 559 1HD2 LEU 70 HD22 LEU 70 18.982 4.987 -0.434 560 2HD2 LEU 70 HD21 LEU 70 17.461 4.268 0.095 561 3HD2 LEU 70 HD23 LEU 70 18.552 4.990 1.276 562 H GLY 71 HN GLY 71 20.951 1.049 -2.550 563 1HA GLY 71 HA2 GLY 71 21.830 0.536 -4.760 564 2HA GLY 71 HA1 GLY 71 21.213 2.088 -5.328 565 H ALA 72 HN ALA 72 22.764 3.606 -5.623 566 HA ALA 72 HA ALA 72 24.842 4.069 -3.645 567 1HB ALA 72 HB2 ALA 72 25.425 2.118 -5.560 568 2HB ALA 72 HB1 ALA 72 26.211 3.574 -6.170 569 3HB ALA 72 HB3 ALA 72 26.595 2.975 -4.557 570 H THR 73 HN THR 73 22.742 5.574 -5.013 571 HA THR 73 HA THR 73 24.463 7.597 -6.393 572 HB THR 73 HB THR 73 21.799 8.034 -7.187 573 HG1 THR 73 HG1 THR 73 21.796 5.712 -8.204 574 1HG2 THR 73 HG22 THR 73 23.977 8.297 -8.458 575 2HG2 THR 73 HG21 THR 73 23.943 6.554 -8.726 576 3HG2 THR 73 HG23 THR 73 22.661 7.573 -9.382 577 H ALA 74 HN ALA 74 23.725 9.847 -6.090 578 HA ALA 74 HA ALA 74 22.737 10.253 -3.344 579 1HB ALA 74 HB2 ALA 74 24.013 11.978 -5.443 580 2HB ALA 74 HB1 ALA 74 23.114 12.746 -4.133 581 3HB ALA 74 HB3 ALA 74 24.500 11.716 -3.768 582 H GLN 75 HN GLN 75 21.706 10.908 -6.673 583 HA GLN 75 HA GLN 75 19.401 12.475 -6.007 584 1HB GLN 75 HB2 GLN 75 18.628 11.938 -8.276 585 2HB GLN 75 HB1 GLN 75 20.345 12.340 -8.297 586 1HG GLN 75 HG2 GLN 75 20.799 9.837 -8.096 587 2HG GLN 75 HG1 GLN 75 19.086 9.594 -8.437 588 1HE2 GLN 75 HE22 GLN 75 21.498 10.072 -11.535 589 2HE2 GLN 75 HE21 GLN 75 21.974 9.537 -9.995 590 H GLN 76 HN GLN 76 19.903 8.982 -6.366 591 HA GLN 76 HA GLN 76 17.159 8.213 -6.163 592 1HB GLN 76 HB2 GLN 76 19.359 6.830 -6.710 593 2HB GLN 76 HB1 GLN 76 19.298 6.486 -4.981 594 1HG GLN 76 HG2 GLN 76 17.850 4.833 -5.535 595 2HG GLN 76 HG1 GLN 76 16.671 6.126 -5.756 596 1HE2 GLN 76 HE22 GLN 76 17.791 3.997 -8.948 597 2HE2 GLN 76 HE21 GLN 76 18.099 3.523 -7.349 598 H PHE 77 HN PHE 77 19.442 9.299 -3.750 599 HA PHE 77 HA PHE 77 18.091 8.144 -1.472 600 1HB PHE 77 HB2 PHE 77 20.400 9.766 -1.936 601 2HB PHE 77 HB1 PHE 77 19.395 10.575 -0.733 602 HD1 PHE 77 HD2 PHE 77 18.411 9.035 1.159 603 HD2 PHE 77 HD1 PHE 77 21.819 8.035 -1.256 604 HE1 PHE 77 HE2 PHE 77 19.149 7.406 2.877 605 HE2 PHE 77 HE1 PHE 77 22.558 6.405 0.460 606 HZ PHE 77 HZ PHE 77 21.222 6.090 2.527 607 H HIS 78 HN HIS 78 18.059 11.442 -2.872 608 HA HIS 78 HA HIS 78 16.112 12.520 -1.111 609 1HB HIS 78 HB2 HIS 78 17.338 14.002 -2.569 610 2HB HIS 78 HB1 HIS 78 16.740 13.168 -4.004 611 HD1 HIS 78 HD1 HIS 78 14.463 13.852 -4.896 612 HD2 HIS 78 HD2 HIS 78 15.279 15.523 -1.165 613 HE1 HIS 78 HE1 HIS 78 12.618 15.525 -4.440 614 NH1 ARG 79 NH2 ARG 79 10.051 11.338 -8.834 615 NH2 ARG 79 NH1 ARG 79 10.421 13.564 -8.774 616 H ARG 79 HN ARG 79 15.693 10.921 -4.268 617 HA ARG 79 HA ARG 79 12.837 11.109 -4.308 618 1HB ARG 79 HB2 ARG 79 14.865 9.385 -5.695 619 2HB ARG 79 HB1 ARG 79 13.153 8.978 -5.827 620 1HG ARG 79 HG2 ARG 79 13.857 11.835 -6.246 621 2HG ARG 79 HG1 ARG 79 14.374 10.710 -7.503 622 1HD ARG 79 HD2 ARG 79 12.214 10.149 -8.090 623 2HD ARG 79 HD1 ARG 79 11.584 10.454 -6.471 624 HE ARG 79 HE ARG 79 12.342 12.961 -7.368 625 1HH1 ARG 79 HH21 ARG 79 10.296 10.405 -8.575 626 2HH1 ARG 79 HH22 ARG 79 9.252 11.496 -9.414 627 1HH2 ARG 79 HH11 ARG 79 10.959 14.349 -8.464 628 2HH2 ARG 79 HH12 ARG 79 9.618 13.705 -9.352 629 H HIS 80 HN HIS 80 15.038 8.909 -2.702 630 HA HIS 80 HA HIS 80 13.195 6.780 -2.188 631 1HB HIS 80 HB2 HIS 80 15.851 7.197 -1.673 632 2HB HIS 80 HB1 HIS 80 15.157 7.373 -0.062 633 HD1 HIS 80 HD1 HIS 80 13.261 5.329 0.437 634 HD2 HIS 80 HD2 HIS 80 16.356 4.552 -2.245 635 HE1 HIS 80 HE1 HIS 80 13.436 2.808 0.255 636 H LYS 81 HN LYS 81 14.093 9.639 -0.238 637 HA LYS 81 HA LYS 81 12.365 9.115 1.952 638 1HB LYS 81 HB2 LYS 81 14.195 10.954 1.623 639 2HB LYS 81 HB1 LYS 81 12.864 11.914 0.975 640 1HG LYS 81 HG2 LYS 81 11.862 12.140 3.013 641 2HG LYS 81 HG1 LYS 81 12.291 10.505 3.516 642 1HD LYS 81 HD2 LYS 81 13.500 12.172 4.869 643 2HD LYS 81 HD1 LYS 81 14.625 11.236 3.883 644 1HE LYS 81 HE2 LYS 81 15.135 13.016 2.526 645 2HE LYS 81 HE1 LYS 81 13.522 13.716 2.661 646 1HZ LYS 81 HZ2 LYS 81 14.062 14.369 4.941 647 2HZ LYS 81 HZ1 LYS 81 15.635 13.757 4.748 648 3HZ LYS 81 HZ3 LYS 81 15.119 15.077 3.817 649 H GLN 82 HN GLN 82 11.645 10.252 -1.269 650 HA GLN 82 HA GLN 82 9.070 11.426 -0.584 651 1HB GLN 82 HB2 GLN 82 10.613 10.858 -3.055 652 2HB GLN 82 HB1 GLN 82 8.858 10.890 -3.234 653 1HG GLN 82 HG2 GLN 82 10.196 13.077 -1.680 654 2HG GLN 82 HG1 GLN 82 10.248 13.126 -3.444 655 1HE2 GLN 82 HE22 GLN 82 7.115 14.789 -3.177 656 2HE2 GLN 82 HE21 GLN 82 8.766 14.973 -3.526 657 H LEU 83 HN LEU 83 10.197 8.260 -1.678 658 HA LEU 83 HA LEU 83 7.540 7.197 -2.148 659 1HB LEU 83 HB2 LEU 83 9.616 6.270 -3.182 660 2HB LEU 83 HB1 LEU 83 10.125 5.714 -1.587 661 HG LEU 83 HG LEU 83 7.384 4.918 -2.277 662 1HD1 LEU 83 HD12 LEU 83 9.655 4.377 -4.120 663 2HD1 LEU 83 HD11 LEU 83 8.626 3.001 -3.717 664 3HD1 LEU 83 HD13 LEU 83 7.924 4.441 -4.455 665 1HD2 LEU 83 HD23 LEU 83 9.861 3.786 -1.048 666 2HD2 LEU 83 HD22 LEU 83 8.205 3.775 -0.444 667 3HD2 LEU 83 HD21 LEU 83 8.689 2.648 -1.711 668 H ILE 84 HN ILE 84 9.924 6.679 0.455 669 HA ILE 84 HA ILE 84 8.280 5.078 2.119 670 HB ILE 84 HB ILE 84 10.397 7.043 3.045 671 1HG1 ILE 84 HG12 ILE 84 11.429 5.754 1.312 672 2HG1 ILE 84 HG11 ILE 84 11.896 4.994 2.830 673 1HG2 ILE 84 HG23 ILE 84 8.807 5.633 4.634 674 2HG2 ILE 84 HG22 ILE 84 9.921 4.332 4.213 675 3HG2 ILE 84 HG21 ILE 84 10.526 5.793 4.991 676 1HD1 ILE 84 HD11 ILE 84 10.031 3.366 2.560 677 2HD1 ILE 84 HD13 ILE 84 9.669 4.081 0.990 678 3HD1 ILE 84 HD12 ILE 84 11.209 3.268 1.253 679 NH1 ARG 85 NH2 ARG 85 6.517 15.832 2.173 680 NH2 ARG 85 NH1 ARG 85 4.419 15.470 1.418 681 H ARG 85 HN ARG 85 8.660 8.618 1.967 682 HA ARG 85 HA ARG 85 7.012 9.232 4.215 683 1HB ARG 85 HB2 ARG 85 8.477 10.892 3.084 684 2HB ARG 85 HB1 ARG 85 7.410 10.852 1.680 685 1HG ARG 85 HG2 ARG 85 5.515 11.526 3.216 686 2HG ARG 85 HG1 ARG 85 6.721 11.785 4.478 687 1HD ARG 85 HD2 ARG 85 7.191 13.815 3.635 688 2HD ARG 85 HD1 ARG 85 7.620 13.085 2.087 689 HE ARG 85 HE ARG 85 4.856 13.139 2.038 690 1HH1 ARG 85 HH21 ARG 85 7.371 15.501 2.570 691 2HH1 ARG 85 HH22 ARG 85 6.420 16.802 1.947 692 1HH2 ARG 85 HH11 ARG 85 3.655 14.849 1.237 693 2HH2 ARG 85 HH12 ARG 85 4.335 16.441 1.199 694 H PHE 86 HN PHE 86 6.224 8.901 0.758 695 HA PHE 86 HA PHE 86 3.468 9.540 0.930 696 1HB PHE 86 HB2 PHE 86 5.246 8.391 -1.016 697 2HB PHE 86 HB1 PHE 86 3.761 7.441 -0.965 698 HD1 PHE 86 HD1 PHE 86 5.210 10.762 -1.634 699 HD2 PHE 86 HD2 PHE 86 1.602 8.430 -1.534 700 HE1 PHE 86 HE1 PHE 86 4.027 12.537 -2.899 701 HE2 PHE 86 HE2 PHE 86 0.420 10.206 -2.800 702 HZ PHE 86 HZ PHE 86 1.633 12.260 -3.482 703 H LEU 87 HN LEU 87 5.187 6.523 1.608 704 HA LEU 87 HA LEU 87 2.816 4.902 1.893 705 1HB LEU 87 HB2 LEU 87 5.378 4.244 1.684 706 2HB LEU 87 HB1 LEU 87 5.311 4.313 3.446 707 HG LEU 87 HG LEU 87 3.026 2.902 2.271 708 1HD1 LEU 87 HD12 LEU 87 5.130 2.410 0.761 709 2HD1 LEU 87 HD11 LEU 87 5.629 1.414 2.128 710 3HD1 LEU 87 HD13 LEU 87 4.108 1.079 1.302 711 1HD2 LEU 87 HD23 LEU 87 4.971 2.655 4.515 712 2HD2 LEU 87 HD22 LEU 87 3.214 2.505 4.529 713 3HD2 LEU 87 HD21 LEU 87 4.209 1.165 3.957 714 H LYS 88 HN LYS 88 4.684 6.942 4.091 715 HA LYS 88 HA LYS 88 3.506 6.081 6.539 716 1HB LYS 88 HB2 LYS 88 4.762 8.666 5.627 717 2HB LYS 88 HB1 LYS 88 4.039 8.536 7.231 718 1HG LYS 88 HG2 LYS 88 5.490 6.280 7.265 719 2HG LYS 88 HG1 LYS 88 6.476 7.214 6.140 720 1HD LYS 88 HD2 LYS 88 5.566 8.273 8.827 721 2HD LYS 88 HD1 LYS 88 7.123 7.485 8.570 722 1HE LYS 88 HE2 LYS 88 7.974 9.432 7.832 723 2HE LYS 88 HE1 LYS 88 6.802 9.432 6.515 724 1HZ LYS 88 HZ1 LYS 88 6.127 10.357 9.244 725 2HZ LYS 88 HZ3 LYS 88 6.746 11.401 8.060 726 3HZ LYS 88 HZ2 LYS 88 5.261 10.616 7.806 727 NH1 ARG 89 NH2 ARG 89 -1.502 14.312 1.567 728 NH2 ARG 89 NH1 ARG 89 -2.139 13.115 -0.239 729 H ARG 89 HN ARG 89 2.475 8.546 4.182 730 HA ARG 89 HA ARG 89 0.225 9.456 5.732 731 1HB ARG 89 HB2 ARG 89 1.146 10.789 3.885 732 2HB ARG 89 HB1 ARG 89 0.684 9.531 2.736 733 1HG ARG 89 HG2 ARG 89 -1.578 9.999 2.917 734 2HG ARG 89 HG1 ARG 89 -1.419 10.652 4.547 735 1HD ARG 89 HD2 ARG 89 -1.463 12.700 3.598 736 2HD ARG 89 HD1 ARG 89 0.157 12.346 2.995 737 HE ARG 89 HE ARG 89 -1.535 11.176 1.132 738 1HH1 ARG 89 HH21 ARG 89 -1.149 14.363 2.500 739 2HH1 ARG 89 HH22 ARG 89 -1.724 15.155 1.076 740 1HH2 ARG 89 HH11 ARG 89 -2.277 12.235 -0.694 741 2HH2 ARG 89 HH12 ARG 89 -2.356 13.965 -0.719 742 H LEU 90 HN LEU 90 0.467 7.151 3.017 743 HA LEU 90 HA LEU 90 -2.317 6.437 3.069 744 1HB LEU 90 HB2 LEU 90 -0.702 6.020 1.163 745 2HB LEU 90 HB1 LEU 90 -0.036 4.692 2.112 746 HG LEU 90 HG LEU 90 -2.288 3.658 2.220 747 1HD1 LEU 90 HD12 LEU 90 -2.995 6.236 0.957 748 2HD1 LEU 90 HD11 LEU 90 -3.769 4.823 0.240 749 3HD1 LEU 90 HD13 LEU 90 -3.979 5.166 1.957 750 1HD2 LEU 90 HD23 LEU 90 -1.191 4.331 -0.521 751 2HD2 LEU 90 HD22 LEU 90 -0.854 2.894 0.445 752 3HD2 LEU 90 HD21 LEU 90 -2.454 3.129 -0.258 753 H ASP 91 HN ASP 91 0.226 5.673 5.249 754 HA ASP 91 HA ASP 91 -0.631 3.036 6.007 755 1HB ASP 91 HB2 ASP 91 1.470 4.718 6.700 756 2HB ASP 91 HB1 ASP 91 0.515 4.621 8.180 757 NH1 ARG 92 NH2 ARG 92 -0.331 5.631 13.312 758 NH2 ARG 92 NH1 ARG 92 0.913 7.367 12.578 759 H ARG 92 HN ARG 92 -1.437 6.294 7.231 760 HA ARG 92 HA ARG 92 -3.364 5.099 9.125 761 1HB ARG 92 HB2 ARG 92 -1.798 7.337 9.287 762 2HB ARG 92 HB1 ARG 92 -3.351 8.029 8.819 763 1HG ARG 92 HG2 ARG 92 -3.533 7.960 11.155 764 2HG ARG 92 HG1 ARG 92 -4.321 6.456 10.675 765 1HD ARG 92 HD2 ARG 92 -2.763 6.002 12.502 766 2HD ARG 92 HD1 ARG 92 -2.160 5.256 11.022 767 HE ARG 92 HE ARG 92 -0.959 7.754 11.047 768 1HH1 ARG 92 HH21 ARG 92 -1.158 5.073 13.274 769 2HH1 ARG 92 HH22 ARG 92 0.389 5.407 13.969 770 1HH2 ARG 92 HH11 ARG 92 1.038 8.151 11.968 771 2HH2 ARG 92 HH12 ARG 92 1.624 7.130 13.240 772 H ASN 93 HN ASN 93 -3.386 6.494 5.943 773 HA ASN 93 HA ASN 93 -6.215 7.253 6.027 774 1HB ASN 93 HB2 ASN 93 -4.145 7.023 3.841 775 2HB ASN 93 HB1 ASN 93 -5.842 7.319 3.463 776 1HD2 ASN 93 HD22 ASN 93 -5.361 10.760 3.985 777 2HD2 ASN 93 HD21 ASN 93 -6.024 9.525 3.027 778 H LEU 94 HN LEU 94 -4.414 4.781 4.195 779 HA LEU 94 HA LEU 94 -6.606 3.265 3.278 780 1HB LEU 94 HB2 LEU 94 -4.106 3.035 2.729 781 2HB LEU 94 HB1 LEU 94 -3.978 2.082 4.204 782 HG LEU 94 HG LEU 94 -6.068 0.829 3.091 783 1HD1 LEU 94 HD13 LEU 94 -4.947 2.492 0.985 784 2HD1 LEU 94 HD12 LEU 94 -4.879 0.781 0.564 785 3HD1 LEU 94 HD11 LEU 94 -6.422 1.526 0.978 786 1HD2 LEU 94 HD23 LEU 94 -3.897 -0.158 3.809 787 2HD2 LEU 94 HD22 LEU 94 -4.446 -0.833 2.277 788 3HD2 LEU 94 HD21 LEU 94 -3.174 0.384 2.296 789 CH2 TRP 95 CH2 TRP 95 -2.540 0.244 13.168 790 H TRP 95 HN TRP 95 -4.743 2.972 6.268 791 HA TRP 95 HA TRP 95 -6.188 0.783 7.430 792 1HB TRP 95 HB2 TRP 95 -3.977 1.428 8.194 793 2HB TRP 95 HB1 TRP 95 -4.498 3.064 8.515 794 HD1 TRP 95 HD1 TRP 95 -7.116 2.069 10.386 795 HE1 TRP 95 HE1 TRP 95 -6.587 1.360 12.766 796 HE3 TRP 95 HE3 TRP 95 -2.190 0.963 9.850 797 HZ2 TRP 95 HZ2 TRP 95 -4.369 0.437 14.280 798 HZ3 TRP 95 HZ3 TRP 95 -0.878 0.161 11.800 799 HH2 TRP 95 HH2 TRP 95 -1.975 -0.112 14.011 800 H GLY 96 HN GLY 96 -6.623 4.293 7.441 801 1HA GLY 96 HA2 GLY 96 -8.417 4.833 9.435 802 2HA GLY 96 HA1 GLY 96 -8.582 5.553 7.837 803 H LEU 97 HN LEU 97 -9.251 3.238 6.372 804 HA LEU 97 HA LEU 97 -12.033 2.876 7.320 805 1HB LEU 97 HB2 LEU 97 -10.588 2.469 4.731 806 2HB LEU 97 HB1 LEU 97 -12.055 1.535 5.024 807 HG LEU 97 HG LEU 97 -12.845 4.022 5.839 808 1HD1 LEU 97 HD13 LEU 97 -10.800 4.324 3.632 809 2HD1 LEU 97 HD12 LEU 97 -12.093 5.499 3.876 810 3HD1 LEU 97 HD11 LEU 97 -10.907 5.218 5.150 811 1HD2 LEU 97 HD21 LEU 97 -13.826 2.286 4.168 812 2HD2 LEU 97 HD23 LEU 97 -14.229 3.986 3.927 813 3HD2 LEU 97 HD22 LEU 97 -12.987 3.224 2.933 814 H ALA 98 HN ALA 98 -9.062 1.060 6.945 815 HA ALA 98 HA ALA 98 -10.248 -1.558 7.212 816 1HB ALA 98 HB3 ALA 98 -7.687 -0.493 6.659 817 2HB ALA 98 HB2 ALA 98 -7.505 -1.508 8.089 818 3HB ALA 98 HB1 ALA 98 -8.191 -2.177 6.616 819 H GLY 99 HN GLY 99 -7.869 -0.157 9.451 820 1HA GLY 99 HA2 GLY 99 -8.136 0.071 11.855 821 2HA GLY 99 HA1 GLY 99 -9.563 -0.975 11.762 822 H LEU 100 HN LEU 100 -6.091 -0.896 11.725 823 HA LEU 100 HA LEU 100 -5.765 -3.760 11.378 824 1HB LEU 100 HB2 LEU 100 -4.155 -2.045 10.540 825 2HB LEU 100 HB1 LEU 100 -3.758 -1.666 12.207 826 HG LEU 100 HG LEU 100 -2.836 -3.852 12.575 827 1HD1 LEU 100 HD11 LEU 100 -4.411 -4.493 10.161 828 2HD1 LEU 100 HD13 LEU 100 -2.806 -5.218 10.200 829 3HD1 LEU 100 HD12 LEU 100 -3.944 -5.531 11.507 830 1HD2 LEU 100 HD21 LEU 100 -1.935 -2.062 10.541 831 2HD2 LEU 100 HD23 LEU 100 -0.966 -3.119 11.569 832 3HD2 LEU 100 HD22 LEU 100 -1.571 -3.707 10.019 833 H ASN 101 HN ASN 101 -6.923 -2.177 13.996 834 HA ASN 101 HA ASN 101 -5.288 -3.132 16.135 835 1HB ASN 101 HB2 ASN 101 -8.282 -2.641 15.983 836 2HB ASN 101 HB1 ASN 101 -7.423 -3.009 17.479 837 1HD2 ASN 101 HD22 ASN 101 -5.502 0.153 17.188 838 2HD2 ASN 101 HD21 ASN 101 -5.131 -1.496 17.343 839 H SER 102 HN SER 102 -8.488 -4.501 15.354 840 HA SER 102 HA SER 102 -7.445 -7.190 16.024 841 1HB SER 102 HB2 SER 102 -10.256 -6.249 15.383 842 2HB SER 102 HB1 SER 102 -9.821 -7.872 15.908 843 HG SER 102 HG SER 102 -9.179 -5.530 17.369 844 H CYS 103 HN CYS 103 -6.100 -6.961 13.902 845 HA CYS 103 HA CYS 103 -7.712 -8.170 11.713 846 1HB CYS 103 HB2 CYS 103 -7.590 -5.877 11.035 847 2HB CYS 103 HB1 CYS 103 -5.889 -5.768 11.473 848 HA PRO 104 HA PRO 104 -3.956 -10.630 12.779 849 1HB PRO 104 HB2 PRO 104 -5.377 -12.821 11.520 850 2HB PRO 104 HB1 PRO 104 -4.922 -12.639 13.220 851 1HG PRO 104 HG2 PRO 104 -7.550 -12.399 12.091 852 2HG PRO 104 HG1 PRO 104 -7.075 -12.148 13.775 853 1HD PRO 104 HD2 PRO 104 -7.864 -10.153 11.852 854 2HD PRO 104 HD1 PRO 104 -7.371 -9.904 13.539 855 H VAL 105 HN VAL 105 -2.660 -9.651 11.189 856 HA VAL 105 HA VAL 105 -3.082 -9.548 8.432 857 HB VAL 105 HB VAL 105 -0.577 -9.456 8.219 858 1HG1 VAL 105 HG12 VAL 105 -2.321 -7.772 9.869 859 2HG1 VAL 105 HG11 VAL 105 -0.612 -7.600 10.273 860 3HG1 VAL 105 HG13 VAL 105 -1.162 -7.313 8.623 861 1HG2 VAL 105 HG23 VAL 105 -0.825 -10.719 10.835 862 2HG2 VAL 105 HG22 VAL 105 0.595 -10.563 9.803 863 3HG2 VAL 105 HG21 VAL 105 0.167 -9.263 10.915 864 H LYS 106 HN LYS 106 -3.888 -11.410 7.445 865 HA LYS 106 HA LYS 106 -2.707 -14.030 7.888 866 1HB LYS 106 HB2 LYS 106 -5.032 -13.023 6.624 867 2HB LYS 106 HB1 LYS 106 -4.108 -13.845 5.366 868 1HG LYS 106 HG2 LYS 106 -4.531 -15.141 8.054 869 2HG LYS 106 HG1 LYS 106 -5.759 -15.261 6.794 870 1HD LYS 106 HD2 LYS 106 -2.895 -15.899 6.142 871 2HD LYS 106 HD1 LYS 106 -3.894 -17.104 6.953 872 1HE LYS 106 HE2 LYS 106 -5.100 -17.526 5.081 873 2HE LYS 106 HE1 LYS 106 -5.237 -15.814 4.680 874 1HZ LYS 106 HZ2 LYS 106 -2.585 -16.939 4.402 875 2HZ LYS 106 HZ1 LYS 106 -3.739 -17.557 3.318 876 3HZ LYS 106 HZ3 LYS 106 -3.436 -15.889 3.372 877 H GLU 107 HN GLU 107 -0.539 -14.077 7.348 878 HA GLU 107 HA GLU 107 0.388 -12.858 4.828 879 1HB GLU 107 HB2 GLU 107 1.729 -14.213 7.155 880 2HB GLU 107 HB1 GLU 107 2.607 -13.928 5.654 881 1HG GLU 107 HG2 GLU 107 1.969 -11.511 5.801 882 2HG GLU 107 HG1 GLU 107 1.250 -11.839 7.377 883 H ALA 108 HN ALA 108 0.587 -13.906 2.986 884 HA ALA 108 HA ALA 108 0.087 -16.812 2.880 885 1HB ALA 108 HB2 ALA 108 -0.945 -15.110 1.278 886 2HB ALA 108 HB1 ALA 108 0.668 -14.926 0.589 887 3HB ALA 108 HB3 ALA 108 -0.149 -16.488 0.517 888 H ASP 109 HN ASP 109 1.729 -17.181 0.504 889 HA ASP 109 HA ASP 109 4.220 -17.882 1.795 890 1HB ASP 109 HB2 ASP 109 2.892 -18.627 -0.559 891 2HB ASP 109 HB1 ASP 109 4.364 -17.827 -1.113 892 H GLN 110 HN GLN 110 6.273 -17.188 0.183 893 HA GLN 110 HA GLN 110 6.422 -14.272 0.606 894 1HB GLN 110 HB2 GLN 110 8.269 -16.322 0.846 895 2HB GLN 110 HB1 GLN 110 8.733 -15.555 -0.672 896 1HG GLN 110 HG2 GLN 110 9.908 -14.247 0.849 897 2HG GLN 110 HG1 GLN 110 8.409 -13.329 0.712 898 1HE2 GLN 110 HE22 GLN 110 8.822 -13.639 4.333 899 2HE2 GLN 110 HE21 GLN 110 9.438 -12.726 3.041 900 H SER 111 HN SER 111 4.981 -13.586 -1.082 901 HA SER 111 HA SER 111 5.480 -14.336 -3.856 902 1HB SER 111 HB2 SER 111 3.791 -12.592 -4.360 903 2HB SER 111 HB1 SER 111 3.223 -13.683 -3.099 904 HG SER 111 HG SER 111 4.412 -11.123 -2.750 905 H THR 112 HN THR 112 5.470 -12.001 -5.269 906 HA THR 112 HA THR 112 8.042 -10.746 -4.419 907 HB THR 112 HB THR 112 8.271 -10.108 -6.825 908 HG1 THR 112 HG1 THR 112 5.724 -10.805 -6.846 909 1HG2 THR 112 HG21 THR 112 8.479 -12.693 -5.636 910 2HG2 THR 112 HG23 THR 112 7.939 -12.904 -7.302 911 3HG2 THR 112 HG22 THR 112 9.430 -12.025 -6.963 912 H LEU 113 HN LEU 113 8.150 -8.492 -4.256 913 HA LEU 113 HA LEU 113 5.723 -7.110 -3.674 914 1HB LEU 113 HB2 LEU 113 8.064 -6.540 -2.847 915 2HB LEU 113 HB1 LEU 113 8.335 -5.780 -4.415 916 HG LEU 113 HG LEU 113 6.368 -4.320 -4.035 917 1HD1 LEU 113 HD13 LEU 113 6.199 -6.005 -1.557 918 2HD1 LEU 113 HD12 LEU 113 5.655 -4.329 -1.489 919 3HD1 LEU 113 HD11 LEU 113 4.904 -5.454 -2.621 920 1HD2 LEU 113 HD21 LEU 113 8.865 -4.060 -2.966 921 2HD2 LEU 113 HD23 LEU 113 7.618 -2.819 -2.851 922 3HD2 LEU 113 HD22 LEU 113 7.873 -3.940 -1.514 923 H GLU 114 HN GLU 114 7.208 -7.767 -6.718 924 HA GLU 114 HA GLU 114 6.267 -5.425 -8.119 925 1HB GLU 114 HB2 GLU 114 7.671 -7.852 -8.761 926 2HB GLU 114 HB1 GLU 114 6.347 -7.632 -9.905 927 1HG GLU 114 HG2 GLU 114 7.116 -5.288 -10.286 928 2HG GLU 114 HG1 GLU 114 8.493 -5.600 -9.230 929 H ASN 115 HN ASN 115 4.977 -8.720 -7.725 930 HA ASN 115 HA ASN 115 2.535 -8.138 -9.182 931 1HB ASN 115 HB2 ASN 115 3.370 -10.398 -7.353 932 2HB ASN 115 HB1 ASN 115 1.773 -10.322 -8.098 933 1HD2 ASN 115 HD22 ASN 115 3.461 -12.197 -10.659 934 2HD2 ASN 115 HD21 ASN 115 2.521 -12.367 -9.256 935 H PHE 116 HN PHE 116 3.585 -7.581 -5.917 936 HA PHE 116 HA PHE 116 0.929 -7.545 -4.735 937 1HB PHE 116 HB2 PHE 116 2.906 -7.878 -3.325 938 2HB PHE 116 HB1 PHE 116 3.542 -6.307 -3.812 939 HD1 PHE 116 HD1 PHE 116 0.398 -7.798 -2.393 940 HD2 PHE 116 HD2 PHE 116 3.129 -4.482 -2.426 941 HE1 PHE 116 HE1 PHE 116 -0.905 -6.706 -0.586 942 HE2 PHE 116 HE2 PHE 116 1.827 -3.390 -0.621 943 HZ PHE 116 HZ PHE 116 -0.190 -4.501 0.300 944 H LEU 117 HN LEU 117 3.196 -5.028 -5.854 945 HA LEU 117 HA LEU 117 1.418 -2.832 -5.327 946 1HB LEU 117 HB2 LEU 117 4.049 -3.209 -6.413 947 2HB LEU 117 HB1 LEU 117 3.127 -2.186 -7.515 948 HG LEU 117 HG LEU 117 4.290 -0.859 -5.763 949 1HD1 LEU 117 HD12 LEU 117 1.530 -0.769 -6.491 950 2HD1 LEU 117 HD11 LEU 117 1.656 -0.305 -4.794 951 3HD1 LEU 117 HD13 LEU 117 2.575 0.571 -6.019 952 1HD2 LEU 117 HD21 LEU 117 3.892 -2.831 -4.064 953 2HD2 LEU 117 HD23 LEU 117 3.904 -1.168 -3.478 954 3HD2 LEU 117 HD22 LEU 117 2.371 -1.997 -3.748 955 H GLU 118 HN GLU 118 1.896 -4.989 -8.072 956 HA GLU 118 HA GLU 118 0.365 -3.517 -9.988 957 1HB GLU 118 HB2 GLU 118 1.483 -5.224 -11.047 958 2HB GLU 118 HB1 GLU 118 1.308 -6.324 -9.678 959 1HG GLU 118 HG2 GLU 118 -0.898 -6.908 -10.279 960 2HG GLU 118 HG1 GLU 118 -1.075 -5.507 -11.336 961 NH1 ARG 119 NH2 ARG 119 -4.688 -11.909 -7.672 962 NH2 ARG 119 NH1 ARG 119 -2.809 -13.161 -7.714 963 H ARG 119 HN ARG 119 -0.621 -6.352 -8.050 964 HA ARG 119 HA ARG 119 -3.393 -6.187 -8.655 965 1HB ARG 119 HB2 ARG 119 -2.079 -7.218 -6.121 966 2HB ARG 119 HB1 ARG 119 -3.717 -7.588 -6.657 967 1HG ARG 119 HG2 ARG 119 -1.889 -8.111 -8.813 968 2HG ARG 119 HG1 ARG 119 -1.318 -8.937 -7.362 969 1HD ARG 119 HD2 ARG 119 -4.001 -9.463 -7.242 970 2HD ARG 119 HD1 ARG 119 -3.737 -9.437 -8.986 971 HE ARG 119 HE ARG 119 -1.671 -11.011 -8.030 972 1HH1 ARG 119 HH21 ARG 119 -5.148 -11.024 -7.718 973 2HH1 ARG 119 HH22 ARG 119 -5.227 -12.741 -7.541 974 1HH2 ARG 119 HH11 ARG 119 -1.816 -13.236 -7.795 975 2HH2 ARG 119 HH12 ARG 119 -3.363 -13.984 -7.585 976 H LEU 120 HN LEU 120 -1.418 -4.251 -6.529 977 HA LEU 120 HA LEU 120 -3.529 -3.341 -4.785 978 1HB LEU 120 HB2 LEU 120 -0.720 -2.800 -5.188 979 2HB LEU 120 HB1 LEU 120 -1.606 -1.281 -5.043 980 HG LEU 120 HG LEU 120 -1.766 -3.607 -3.101 981 1HD1 LEU 120 HD13 LEU 120 0.213 -1.671 -3.349 982 2HD1 LEU 120 HD12 LEU 120 -0.860 -1.001 -2.121 983 3HD1 LEU 120 HD11 LEU 120 -0.142 -2.596 -1.890 984 1HD2 LEU 120 HD21 LEU 120 -3.477 -1.313 -3.608 985 2HD2 LEU 120 HD23 LEU 120 -3.728 -2.662 -2.501 986 3HD2 LEU 120 HD22 LEU 120 -2.808 -1.250 -1.978 987 H LYS 121 HN LYS 121 -2.019 -1.917 -7.695 988 HA LYS 121 HA LYS 121 -3.721 0.379 -7.846 989 1HB LYS 121 HB2 LYS 121 -1.532 -0.284 -9.178 990 2HB LYS 121 HB1 LYS 121 -2.689 -0.976 -10.315 991 1HG LYS 121 HG2 LYS 121 -3.785 1.155 -10.611 992 2HG LYS 121 HG1 LYS 121 -2.842 1.877 -9.305 993 1HD LYS 121 HD2 LYS 121 -1.836 2.569 -11.389 994 2HD LYS 121 HD1 LYS 121 -0.761 1.383 -10.648 995 1HE LYS 121 HE2 LYS 121 -2.014 -0.374 -12.060 996 2HE LYS 121 HE1 LYS 121 -2.655 0.994 -12.968 997 1HZ LYS 121 HZ3 LYS 121 -0.215 1.705 -13.126 998 2HZ LYS 121 HZ2 LYS 121 0.143 0.100 -12.698 999 3HZ LYS 121 HZ1 LYS 121 -0.742 0.430 -14.111 1000 H THR 122 HN THR 122 -3.822 -2.638 -9.678 1001 HA THR 122 HA THR 122 -6.179 -2.341 -11.109 1002 HB THR 122 HB THR 122 -6.262 -4.992 -10.139 1003 HG1 THR 122 HG1 THR 122 -4.229 -4.504 -9.187 1004 1HG2 THR 122 HG21 THR 122 -6.596 -4.237 -12.467 1005 2HG2 THR 122 HG23 THR 122 -4.885 -3.821 -12.572 1006 3HG2 THR 122 HG22 THR 122 -5.372 -5.504 -12.380 1007 H ILE 123 HN ILE 123 -5.896 -3.373 -7.738 1008 HA ILE 123 HA ILE 123 -8.691 -3.918 -7.362 1009 HB ILE 123 HB ILE 123 -6.467 -3.278 -5.419 1010 1HG1 ILE 123 HG12 ILE 123 -6.575 -5.457 -6.825 1011 2HG1 ILE 123 HG11 ILE 123 -6.351 -5.612 -5.082 1012 1HG2 ILE 123 HG23 ILE 123 -9.396 -3.685 -5.005 1013 2HG2 ILE 123 HG22 ILE 123 -8.296 -4.449 -3.858 1014 3HG2 ILE 123 HG21 ILE 123 -8.259 -2.701 -4.086 1015 1HD1 ILE 123 HD11 ILE 123 -9.120 -5.610 -6.266 1016 2HD1 ILE 123 HD13 ILE 123 -8.163 -7.090 -6.235 1017 3HD1 ILE 123 HD12 ILE 123 -8.576 -6.275 -4.726 1018 H MET 124 HN MET 124 -6.746 -1.022 -6.581 1019 HA MET 124 HA MET 124 -8.829 0.446 -5.333 1020 1HB MET 124 HB2 MET 124 -6.489 1.515 -6.930 1021 2HB MET 124 HB1 MET 124 -7.467 2.445 -5.795 1022 1HG MET 124 HG2 MET 124 -5.952 -0.061 -5.017 1023 2HG MET 124 HG1 MET 124 -5.296 1.567 -4.842 1024 1HE MET 124 HE2 MET 124 -5.138 2.530 -3.109 1025 2HE MET 124 HE1 MET 124 -6.601 3.493 -2.952 1026 3HE MET 124 HE3 MET 124 -6.047 2.491 -1.604 1027 NH1 ARG 125 NH2 ARG 125 -8.185 -0.338 -15.312 1028 NH2 ARG 125 NH1 ARG 125 -6.664 1.241 -15.850 1029 H ARG 125 HN ARG 125 -7.809 0.523 -8.757 1030 HA ARG 125 HA ARG 125 -9.894 2.414 -9.464 1031 1HB ARG 125 HB2 ARG 125 -7.768 2.279 -10.708 1032 2HB ARG 125 HB1 ARG 125 -8.183 0.646 -11.233 1033 1HG ARG 125 HG2 ARG 125 -10.416 2.299 -11.829 1034 2HG ARG 125 HG1 ARG 125 -8.979 3.154 -12.390 1035 1HD ARG 125 HD2 ARG 125 -9.139 0.234 -12.977 1036 2HD ARG 125 HD1 ARG 125 -10.198 1.302 -13.897 1037 HE ARG 125 HE ARG 125 -7.719 2.530 -14.050 1038 1HH1 ARG 125 HH21 ARG 125 -8.951 -0.658 -14.758 1039 2HH1 ARG 125 HH22 ARG 125 -7.810 -0.928 -16.025 1040 1HH2 ARG 125 HH11 ARG 125 -6.258 2.143 -15.706 1041 2HH2 ARG 125 HH12 ARG 125 -6.302 0.638 -16.562 1042 H GLU 126 HN GLU 126 -9.394 -0.997 -10.358 1043 HA GLU 126 HA GLU 126 -11.702 -1.521 -11.765 1044 1HB GLU 126 HB2 GLU 126 -9.986 -3.208 -11.440 1045 2HB GLU 126 HB1 GLU 126 -10.374 -3.315 -9.721 1046 1HG GLU 126 HG2 GLU 126 -12.090 -4.724 -10.118 1047 2HG GLU 126 HG1 GLU 126 -12.752 -3.661 -11.361 1048 H LYS 127 HN LYS 127 -11.480 -1.529 -8.186 1049 HA LYS 127 HA LYS 127 -14.370 -2.129 -8.040 1050 1HB LYS 127 HB2 LYS 127 -12.163 -2.613 -6.369 1051 2HB LYS 127 HB1 LYS 127 -13.142 -1.430 -5.504 1052 1HG LYS 127 HG2 LYS 127 -14.981 -3.282 -6.571 1053 2HG LYS 127 HG1 LYS 127 -13.653 -4.248 -5.931 1054 1HD LYS 127 HD2 LYS 127 -13.847 -3.213 -3.761 1055 2HD LYS 127 HD1 LYS 127 -15.001 -2.029 -4.374 1056 1HE LYS 127 HE2 LYS 127 -16.514 -3.981 -4.971 1057 2HE LYS 127 HE1 LYS 127 -15.415 -5.009 -4.053 1058 1HZ LYS 127 HZ3 LYS 127 -15.802 -3.079 -2.295 1059 2HZ LYS 127 HZ2 LYS 127 -17.285 -2.983 -3.118 1060 3HZ LYS 127 HZ1 LYS 127 -16.807 -4.442 -2.389 1061 OH TYR 128 OH TYR 128 -11.533 -0.777 -1.684 1062 H TYR 128 HN TYR 128 -12.202 0.564 -7.143 1063 HA TYR 128 HA TYR 128 -14.549 2.189 -6.397 1064 1HB TYR 128 HB2 TYR 128 -11.664 3.076 -6.458 1065 2HB TYR 128 HB1 TYR 128 -12.993 3.771 -5.529 1066 HD1 TYR 128 HD2 TYR 128 -14.344 1.290 -4.601 1067 HD2 TYR 128 HD1 TYR 128 -10.177 2.314 -4.750 1068 HE1 TYR 128 HE2 TYR 128 -13.892 -0.297 -2.754 1069 HE2 TYR 128 HE1 TYR 128 -9.722 0.722 -2.900 1070 HH TYR 128 HH TYR 128 -11.205 -1.593 -2.070 1071 H SER 129 HN SER 129 -13.965 1.405 -9.291 1072 HA SER 129 HA SER 129 -13.393 4.045 -10.490 1073 1HB SER 129 HB2 SER 129 -12.417 2.342 -11.779 1074 2HB SER 129 HB1 SER 129 -13.792 1.262 -11.571 1075 HG SER 129 HG SER 129 -14.706 2.158 -13.239 1076 H LYS 130 HN LYS 130 -16.089 1.901 -9.825 1077 HA LYS 130 HA LYS 130 -17.911 3.911 -11.080 1078 1HB LYS 130 HB2 LYS 130 -17.687 1.144 -11.570 1079 2HB LYS 130 HB1 LYS 130 -19.150 1.330 -10.607 1080 1HG LYS 130 HG2 LYS 130 -18.899 3.380 -12.691 1081 2HG LYS 130 HG1 LYS 130 -18.959 1.744 -13.344 1082 1HD LYS 130 HD2 LYS 130 -20.898 2.075 -11.207 1083 2HD LYS 130 HD1 LYS 130 -21.142 3.275 -12.477 1084 1HE LYS 130 HE2 LYS 130 -21.067 1.429 -14.166 1085 2HE LYS 130 HE1 LYS 130 -20.985 0.270 -12.840 1086 1HZ LYS 130 HZ1 LYS 130 -23.076 1.638 -12.056 1087 2HZ LYS 130 HZ3 LYS 130 -23.216 1.939 -13.718 1088 3HZ LYS 130 HZ2 LYS 130 -23.216 0.340 -13.143 1089 H CYS 131 HN CYS 131 -16.940 4.203 -8.415 1090 HA CYS 131 HA CYS 131 -18.550 3.091 -6.384 1091 1HB CYS 131 HB2 CYS 131 -16.564 4.522 -5.952 1092 2HB CYS 131 HB1 CYS 131 -17.474 5.926 -6.511 1093 H SER 132 HN SER 132 -19.122 6.054 -8.303 1094 HA SER 132 HA SER 132 -21.689 6.584 -7.079 1095 1HB SER 132 HB2 SER 132 -20.120 7.656 -9.357 1096 2HB SER 132 HB1 SER 132 -21.867 7.840 -9.480 1097 HG SER 132 HG SER 132 -21.490 9.499 -8.229 1098 H SER 133 HN SER 133 -23.638 5.666 -7.558 1099 HA SER 133 HA SER 133 -23.710 3.737 -9.827 1100 1HB SER 133 HB2 SER 133 -25.311 4.017 -7.287 1101 2HB SER 133 HB1 SER 133 -25.901 3.041 -8.629 1102 HG SER 133 HG SER 133 -24.593 1.557 -7.949 Start of MODEL 7 Raw file had 1102 H/Q atoms Start of MODEL 7 1 1H GLU 1 HT1 GLU 1 -21.435 20.837 8.361 2 2H GLU 1 HT3 GLU 1 -21.026 22.011 9.517 3 3H GLU 1 HT2 GLU 1 -21.878 22.459 8.116 4 HA GLU 1 HA GLU 1 -20.057 22.377 6.777 5 1HB GLU 1 HB2 GLU 1 -19.402 24.141 8.143 6 2HB GLU 1 HB1 GLU 1 -19.280 23.121 9.577 7 1HG GLU 1 HG2 GLU 1 -17.200 22.233 8.919 8 2HG GLU 1 HG1 GLU 1 -17.425 22.713 7.237 9 H ALA 2 HN ALA 2 -19.433 20.433 9.701 10 HA ALA 2 HA ALA 2 -17.258 18.976 8.393 11 1HB ALA 2 HB3 ALA 2 -17.711 19.470 10.972 12 2HB ALA 2 HB2 ALA 2 -18.593 17.947 10.863 13 3HB ALA 2 HB1 ALA 2 -16.877 18.004 10.458 14 H GLU 3 HN GLU 3 -17.575 17.264 7.063 15 HA GLU 3 HA GLU 3 -19.468 15.178 7.565 16 1HB GLU 3 HB2 GLU 3 -20.949 17.153 6.772 17 2HB GLU 3 HB1 GLU 3 -20.248 16.854 5.181 18 1HG GLU 3 HG2 GLU 3 -22.170 15.509 5.146 19 2HG GLU 3 HG1 GLU 3 -20.912 14.369 5.626 20 H ALA 4 HN ALA 4 -17.550 13.984 7.091 21 HA ALA 4 HA ALA 4 -16.799 13.978 4.194 22 1HB ALA 4 HB1 ALA 4 -15.153 14.389 6.420 23 2HB ALA 4 HB3 ALA 4 -14.861 12.711 5.961 24 3HB ALA 4 HB2 ALA 4 -14.620 14.003 4.785 25 H HIS 5 HN HIS 5 -17.018 12.037 3.137 26 HA HIS 5 HA HIS 5 -18.125 9.780 4.704 27 1HB HIS 5 HB2 HIS 5 -18.861 10.798 2.290 28 2HB HIS 5 HB1 HIS 5 -17.784 9.499 1.775 29 HD1 HIS 5 HD1 HIS 5 -18.614 7.114 2.030 30 HD2 HIS 5 HD2 HIS 5 -21.105 9.875 3.915 31 HE1 HIS 5 HE1 HIS 5 -20.675 5.837 2.762 32 H LYS 6 HN LYS 6 -17.268 7.581 4.304 33 HA LYS 6 HA LYS 6 -14.307 7.666 3.997 34 1HB LYS 6 HB2 LYS 6 -16.235 5.901 5.452 35 2HB LYS 6 HB1 LYS 6 -14.713 5.196 4.905 36 1HG LYS 6 HG2 LYS 6 -13.616 6.176 6.604 37 2HG LYS 6 HG1 LYS 6 -14.175 7.763 6.074 38 1HD LYS 6 HD2 LYS 6 -15.996 7.755 7.509 39 2HD LYS 6 HD1 LYS 6 -16.097 5.995 7.539 40 1HE LYS 6 HE2 LYS 6 -15.271 6.762 9.695 41 2HE LYS 6 HE1 LYS 6 -13.959 5.945 8.844 42 1HZ LYS 6 HZ3 LYS 6 -13.697 8.481 7.994 43 2HZ LYS 6 HZ2 LYS 6 -14.225 8.718 9.592 44 3HZ LYS 6 HZ1 LYS 6 -12.827 7.804 9.283 45 H CYS 7 HN CYS 7 -15.232 7.876 1.545 46 HA CYS 7 HA CYS 7 -14.426 5.477 0.224 47 1HB CYS 7 HB2 CYS 7 -16.998 5.241 1.188 48 2HB CYS 7 HB1 CYS 7 -17.262 5.781 -0.470 49 H ASP 8 HN ASP 8 -16.350 8.456 0.014 50 HA ASP 8 HA ASP 8 -16.020 8.657 -2.872 51 1HB ASP 8 HB2 ASP 8 -17.933 9.659 -1.537 52 2HB ASP 8 HB1 ASP 8 -16.794 10.881 -0.973 53 H ILE 9 HN ILE 9 -14.921 10.941 -0.341 54 HA ILE 9 HA ILE 9 -12.715 11.745 -2.131 55 HB ILE 9 HB ILE 9 -14.262 13.008 -0.080 56 1HG1 ILE 9 HG12 ILE 9 -11.981 14.015 -1.810 57 2HG1 ILE 9 HG11 ILE 9 -13.678 13.947 -2.287 58 1HG2 ILE 9 HG21 ILE 9 -11.264 13.089 0.403 59 2HG2 ILE 9 HG23 ILE 9 -12.462 14.104 1.203 60 3HG2 ILE 9 HG22 ILE 9 -12.460 12.365 1.483 61 1HD1 ILE 9 HD13 ILE 9 -14.002 15.329 -0.036 62 2HD1 ILE 9 HD12 ILE 9 -12.324 15.778 -0.347 63 3HD1 ILE 9 HD11 ILE 9 -13.570 16.136 -1.543 64 H THR 10 HN THR 10 -13.198 9.808 0.738 65 HA THR 10 HA THR 10 -10.434 9.893 1.610 66 HB THR 10 HB THR 10 -12.622 7.879 2.193 67 HG1 THR 10 HG1 THR 10 -12.698 9.094 4.156 68 1HG2 THR 10 HG22 THR 10 -9.812 8.237 3.183 69 2HG2 THR 10 HG21 THR 10 -11.043 7.610 4.280 70 3HG2 THR 10 HG23 THR 10 -10.671 6.749 2.785 71 H LEU 11 HN LEU 11 -12.335 7.301 0.008 72 HA LEU 11 HA LEU 11 -9.973 5.720 -0.516 73 1HB LEU 11 HB2 LEU 11 -12.843 5.500 -0.943 74 2HB LEU 11 HB1 LEU 11 -11.933 4.891 -2.323 75 HG LEU 11 HG LEU 11 -10.474 3.702 -0.489 76 1HD1 LEU 11 HD13 LEU 11 -11.700 4.937 1.354 77 2HD1 LEU 11 HD12 LEU 11 -13.112 3.953 0.974 78 3HD1 LEU 11 HD11 LEU 11 -11.633 3.187 1.552 79 1HD2 LEU 11 HD23 LEU 11 -12.245 2.771 -2.207 80 2HD2 LEU 11 HD22 LEU 11 -11.684 1.744 -0.887 81 3HD2 LEU 11 HD21 LEU 11 -13.241 2.563 -0.767 82 H GLN 12 HN GLN 12 -11.551 8.322 -2.237 83 HA GLN 12 HA GLN 12 -10.446 7.722 -4.841 84 1HB GLN 12 HB2 GLN 12 -12.358 9.251 -4.563 85 2HB GLN 12 HB1 GLN 12 -11.338 10.375 -3.666 86 1HG GLN 12 HG2 GLN 12 -11.437 11.182 -5.924 87 2HG GLN 12 HG1 GLN 12 -9.837 10.470 -5.717 88 1HE2 GLN 12 HE22 GLN 12 -10.355 8.029 -8.207 89 2HE2 GLN 12 HE21 GLN 12 -9.269 8.785 -7.142 90 H GLU 13 HN GLU 13 -9.471 10.114 -2.356 91 HA GLU 13 HA GLU 13 -7.032 10.835 -3.667 92 1HB GLU 13 HB2 GLU 13 -8.330 11.798 -1.497 93 2HB GLU 13 HB1 GLU 13 -7.077 10.851 -0.692 94 1HG GLU 13 HG2 GLU 13 -5.771 12.683 -1.005 95 2HG GLU 13 HG1 GLU 13 -5.646 12.116 -2.671 96 H ILE 14 HN ILE 14 -7.898 8.218 -1.483 97 HA ILE 14 HA ILE 14 -5.278 7.305 -0.827 98 HB ILE 14 HB ILE 14 -7.980 6.384 -0.526 99 1HG1 ILE 14 HG12 ILE 14 -5.683 4.948 0.726 100 2HG1 ILE 14 HG11 ILE 14 -5.832 6.676 1.052 101 1HG2 ILE 14 HG23 ILE 14 -6.033 4.260 -1.493 102 2HG2 ILE 14 HG22 ILE 14 -7.621 3.949 -0.798 103 3HG2 ILE 14 HG21 ILE 14 -7.489 4.784 -2.342 104 1HD1 ILE 14 HD12 ILE 14 -8.439 5.588 1.275 105 2HD1 ILE 14 HD11 ILE 14 -7.366 4.499 2.154 106 3HD1 ILE 14 HD13 ILE 14 -7.423 6.210 2.574 107 H ILE 15 HN ILE 15 -7.338 6.803 -3.632 108 HA ILE 15 HA ILE 15 -5.751 4.745 -4.859 109 HB ILE 15 HB ILE 15 -8.024 6.473 -5.590 110 1HG1 ILE 15 HG12 ILE 15 -7.322 3.657 -6.448 111 2HG1 ILE 15 HG11 ILE 15 -8.023 4.023 -4.873 112 1HG2 ILE 15 HG21 ILE 15 -6.056 5.469 -7.656 113 2HG2 ILE 15 HG23 ILE 15 -7.730 5.866 -8.038 114 3HG2 ILE 15 HG22 ILE 15 -6.642 7.119 -7.441 115 1HD1 ILE 15 HD11 ILE 15 -9.948 5.094 -5.977 116 2HD1 ILE 15 HD13 ILE 15 -9.252 4.719 -7.552 117 3HD1 ILE 15 HD12 ILE 15 -9.775 3.415 -6.487 118 H LYS 16 HN LYS 16 -5.920 8.276 -5.423 119 HA LYS 16 HA LYS 16 -3.972 8.420 -7.463 120 1HB LYS 16 HB2 LYS 16 -5.337 10.358 -6.747 121 2HB LYS 16 HB1 LYS 16 -4.443 10.418 -5.228 122 1HG LYS 16 HG2 LYS 16 -2.491 10.352 -7.264 123 2HG LYS 16 HG1 LYS 16 -3.710 11.508 -7.803 124 1HD LYS 16 HD2 LYS 16 -2.281 11.522 -5.129 125 2HD LYS 16 HD1 LYS 16 -2.045 12.670 -6.447 126 1HE LYS 16 HE2 LYS 16 -4.593 13.112 -6.233 127 2HE LYS 16 HE1 LYS 16 -4.447 12.330 -4.659 128 1HZ LYS 16 HZ3 LYS 16 -2.352 14.178 -4.982 129 2HZ LYS 16 HZ2 LYS 16 -3.823 14.957 -5.322 130 3HZ LYS 16 HZ1 LYS 16 -3.595 14.178 -3.829 131 H THR 17 HN THR 17 -3.575 8.277 -3.954 132 HA THR 17 HA THR 17 -0.709 8.650 -3.978 133 HB THR 17 HB THR 17 -2.213 7.120 -1.859 134 HG1 THR 17 HG1 THR 17 -3.279 8.845 -1.341 135 1HG2 THR 17 HG22 THR 17 0.268 7.422 -1.723 136 2HG2 THR 17 HG21 THR 17 0.013 9.166 -1.707 137 3HG2 THR 17 HG23 THR 17 -0.598 8.173 -0.383 138 H LEU 18 HN LEU 18 -2.856 5.875 -4.211 139 HA LEU 18 HA LEU 18 -0.989 3.788 -3.789 140 1HB LEU 18 HB2 LEU 18 -3.626 3.830 -4.292 141 2HB LEU 18 HB1 LEU 18 -3.054 3.433 -5.913 142 HG LEU 18 HG LEU 18 -3.474 1.374 -4.663 143 1HD1 LEU 18 HD13 LEU 18 -1.427 1.671 -6.209 144 2HD1 LEU 18 HD12 LEU 18 -0.478 1.731 -4.725 145 3HD1 LEU 18 HD11 LEU 18 -1.418 0.291 -5.111 146 1HD2 LEU 18 HD22 LEU 18 -2.935 2.654 -2.432 147 2HD2 LEU 18 HD21 LEU 18 -2.598 0.926 -2.544 148 3HD2 LEU 18 HD23 LEU 18 -1.289 2.093 -2.729 149 H ASN 19 HN ASN 19 -1.728 5.676 -6.702 150 HA ASN 19 HA ASN 19 0.030 4.075 -8.393 151 1HB ASN 19 HB2 ASN 19 -2.014 5.507 -9.109 152 2HB ASN 19 HB1 ASN 19 -0.897 6.871 -9.034 153 1HD2 ASN 19 HD22 ASN 19 -0.751 5.483 -12.503 154 2HD2 ASN 19 HD21 ASN 19 -1.964 6.179 -11.540 155 H SER 20 HN SER 20 0.324 7.070 -6.539 156 HA SER 20 HA SER 20 2.784 7.965 -7.700 157 1HB SER 20 HB2 SER 20 2.243 8.431 -4.798 158 2HB SER 20 HB1 SER 20 2.812 9.557 -6.027 159 HG SER 20 HG SER 20 0.774 10.150 -5.935 160 H LEU 21 HN LEU 21 2.103 5.561 -5.209 161 HA LEU 21 HA LEU 21 4.861 5.382 -4.311 162 1HB LEU 21 HB2 LEU 21 2.372 3.757 -3.893 163 2HB LEU 21 HB1 LEU 21 3.936 3.074 -3.443 164 HG LEU 21 HG LEU 21 3.492 5.866 -2.574 165 1HD1 LEU 21 HD13 LEU 21 1.552 3.756 -1.997 166 2HD1 LEU 21 HD12 LEU 21 2.276 4.421 -0.533 167 3HD1 LEU 21 HD11 LEU 21 1.453 5.486 -1.674 168 1HD2 LEU 21 HD21 LEU 21 4.791 3.349 -1.635 169 2HD2 LEU 21 HD23 LEU 21 5.418 4.997 -1.653 170 3HD2 LEU 21 HD22 LEU 21 4.281 4.501 -0.400 171 H THR 22 HN THR 22 3.044 3.982 -6.946 172 HA THR 22 HA THR 22 4.967 1.819 -7.385 173 HB THR 22 HB THR 22 3.652 1.805 -9.684 174 HG1 THR 22 HG1 THR 22 1.591 2.850 -8.173 175 1HG2 THR 22 HG22 THR 22 3.521 0.097 -7.894 176 2HG2 THR 22 HG21 THR 22 2.340 1.094 -7.047 177 3HG2 THR 22 HG23 THR 22 1.945 0.405 -8.621 178 H GLU 23 HN GLU 23 5.266 5.097 -7.826 179 HA GLU 23 HA GLU 23 6.281 5.345 -10.471 180 1HB GLU 23 HB2 GLU 23 6.122 6.965 -8.128 181 2HB GLU 23 HB1 GLU 23 7.791 7.011 -8.697 182 1HG GLU 23 HG2 GLU 23 6.721 8.752 -9.893 183 2HG GLU 23 HG1 GLU 23 6.784 7.413 -11.040 184 H GLN 24 HN GLN 24 7.841 4.365 -7.446 185 HA GLN 24 HA GLN 24 10.403 3.900 -8.870 186 1HB GLN 24 HB2 GLN 24 9.530 3.961 -5.995 187 2HB GLN 24 HB1 GLN 24 11.004 3.096 -6.430 188 1HG GLN 24 HG2 GLN 24 11.559 5.305 -7.757 189 2HG GLN 24 HG1 GLN 24 10.399 6.028 -6.641 190 1HE2 GLN 24 HE22 GLN 24 13.807 6.144 -5.065 191 2HE2 GLN 24 HE21 GLN 24 13.155 6.748 -6.511 192 H LYS 25 HN LYS 25 8.553 2.256 -9.941 193 HA LYS 25 HA LYS 25 8.476 -0.295 -8.482 194 1HB LYS 25 HB2 LYS 25 7.130 0.888 -10.800 195 2HB LYS 25 HB1 LYS 25 7.567 -0.803 -11.044 196 1HG LYS 25 HG2 LYS 25 6.492 -1.353 -8.859 197 2HG LYS 25 HG1 LYS 25 5.960 0.324 -8.735 198 1HD LYS 25 HD2 LYS 25 4.199 -0.103 -10.066 199 2HD LYS 25 HD1 LYS 25 5.272 -0.696 -11.335 200 1HE LYS 25 HE2 LYS 25 5.166 -2.915 -10.561 201 2HE LYS 25 HE1 LYS 25 4.601 -2.427 -8.964 202 1HZ LYS 25 HZ1 LYS 25 2.735 -1.452 -10.723 203 2HZ LYS 25 HZ3 LYS 25 3.094 -3.004 -11.304 204 3HZ LYS 25 HZ2 LYS 25 2.561 -2.800 -9.703 205 H THR 26 HN THR 26 10.911 -0.518 -8.474 206 HA THR 26 HA THR 26 11.753 -2.324 -10.536 207 HB THR 26 HB THR 26 13.720 -0.426 -11.029 208 HG1 THR 26 HG1 THR 26 12.609 1.442 -11.512 209 1HG2 THR 26 HG21 THR 26 12.205 -2.058 -12.509 210 2HG2 THR 26 HG23 THR 26 11.363 -0.547 -12.856 211 3HG2 THR 26 HG22 THR 26 13.081 -0.705 -13.224 212 H LEU 27 HN LEU 27 13.318 0.210 -8.538 213 HA LEU 27 HA LEU 27 15.290 -1.783 -7.613 214 1HB LEU 27 HB2 LEU 27 15.298 1.012 -8.039 215 2HB LEU 27 HB1 LEU 27 15.501 0.779 -6.304 216 HG LEU 27 HG LEU 27 17.097 -0.889 -8.230 217 1HD1 LEU 27 HD11 LEU 27 17.214 1.979 -8.014 218 2HD1 LEU 27 HD13 LEU 27 18.688 1.285 -7.341 219 3HD1 LEU 27 HD12 LEU 27 18.212 0.908 -8.996 220 1HD2 LEU 27 HD21 LEU 27 17.011 -0.295 -5.358 221 2HD2 LEU 27 HD23 LEU 27 17.740 -1.665 -6.197 222 3HD2 LEU 27 HD22 LEU 27 18.631 -0.151 -6.040 223 H CYS 28 HN CYS 28 12.670 0.192 -6.261 224 HA CYS 28 HA CYS 28 13.180 -0.843 -3.565 225 1HB CYS 28 HB2 CYS 28 11.522 1.246 -4.772 226 2HB CYS 28 HB1 CYS 28 10.692 0.362 -3.490 227 H THR 29 HN THR 29 11.446 -1.974 -6.300 228 HA THR 29 HA THR 29 9.471 -3.445 -4.677 229 HB THR 29 HB THR 29 8.686 -4.312 -6.853 230 HG1 THR 29 HG1 THR 29 11.148 -3.515 -7.571 231 1HG2 THR 29 HG22 THR 29 7.956 -2.083 -5.970 232 2HG2 THR 29 HG21 THR 29 9.216 -1.335 -6.951 233 3HG2 THR 29 HG23 THR 29 7.892 -2.201 -7.728 234 H GLU 30 HN GLU 30 12.644 -3.921 -4.968 235 HA GLU 30 HA GLU 30 12.551 -6.784 -5.690 236 1HB GLU 30 HB2 GLU 30 14.574 -4.693 -5.599 237 2HB GLU 30 HB1 GLU 30 15.123 -6.133 -4.744 238 1HG GLU 30 HG2 GLU 30 13.769 -6.784 -7.253 239 2HG GLU 30 HG1 GLU 30 15.183 -5.758 -7.496 240 H LEU 31 HN LEU 31 10.978 -6.419 -3.537 241 HA LEU 31 HA LEU 31 12.497 -7.747 -1.376 242 1HB LEU 31 HB2 LEU 31 10.750 -5.296 -0.954 243 2HB LEU 31 HB1 LEU 31 11.415 -6.293 0.338 244 HG LEU 31 HG LEU 31 13.145 -4.928 -1.739 245 1HD1 LEU 31 HD12 LEU 31 11.808 -3.291 -0.385 246 2HD1 LEU 31 HD11 LEU 31 12.521 -3.985 1.071 247 3HD1 LEU 31 HD13 LEU 31 13.546 -3.175 -0.115 248 1HD2 LEU 31 HD22 LEU 31 13.991 -6.932 -0.382 249 2HD2 LEU 31 HD21 LEU 31 14.948 -5.456 -0.258 250 3HD2 LEU 31 HD23 LEU 31 13.841 -5.901 1.041 251 H THR 32 HN THR 32 11.333 -9.633 -1.861 252 HA THR 32 HA THR 32 8.636 -9.961 -2.464 253 HB THR 32 HB THR 32 8.925 -12.152 -1.010 254 HG1 THR 32 HG1 THR 32 10.711 -11.569 0.139 255 1HG2 THR 32 HG21 THR 32 10.128 -11.306 -3.596 256 2HG2 THR 32 HG23 THR 32 10.680 -12.842 -2.928 257 3HG2 THR 32 HG22 THR 32 8.967 -12.590 -3.261 258 H VAL 33 HN VAL 33 6.732 -10.335 -1.186 259 HA VAL 33 HA VAL 33 6.905 -9.657 1.696 260 HB VAL 33 HB VAL 33 5.072 -8.002 1.465 261 1HG1 VAL 33 HG12 VAL 33 7.642 -7.515 1.183 262 2HG1 VAL 33 HG11 VAL 33 7.193 -7.162 -0.486 263 3HG1 VAL 33 HG13 VAL 33 6.469 -6.245 0.836 264 1HG2 VAL 33 HG21 VAL 33 4.249 -9.070 -0.729 265 2HG2 VAL 33 HG23 VAL 33 4.254 -7.308 -0.666 266 3HG2 VAL 33 HG22 VAL 33 5.538 -8.164 -1.520 267 H THR 34 HN THR 34 4.214 -9.584 2.282 268 HA THR 34 HA THR 34 3.491 -12.388 1.958 269 HB THR 34 HB THR 34 2.838 -10.267 3.744 270 HG1 THR 34 HG1 THR 34 1.819 -12.089 4.821 271 1HG2 THR 34 HG23 THR 34 0.854 -9.847 2.322 272 2HG2 THR 34 HG22 THR 34 0.388 -11.540 2.485 273 3HG2 THR 34 HG21 THR 34 0.399 -10.488 3.897 274 H ASP 35 HN ASP 35 1.938 -13.236 0.611 275 HA ASP 35 HA ASP 35 0.852 -11.417 -1.464 276 1HB ASP 35 HB2 ASP 35 1.996 -13.715 -1.912 277 2HB ASP 35 HB1 ASP 35 0.462 -14.407 -1.383 278 H ILE 36 HN ILE 36 -1.020 -10.450 -0.765 279 HA ILE 36 HA ILE 36 -2.928 -12.047 0.851 280 HB ILE 36 HB ILE 36 -3.996 -9.952 1.377 281 1HG1 ILE 36 HG12 ILE 36 -2.168 -8.703 -0.705 282 2HG1 ILE 36 HG11 ILE 36 -3.896 -8.983 -0.920 283 1HG2 ILE 36 HG23 ILE 36 -1.805 -10.473 2.486 284 2HG2 ILE 36 HG22 ILE 36 -1.004 -9.468 1.277 285 3HG2 ILE 36 HG21 ILE 36 -2.153 -8.746 2.403 286 1HD1 ILE 36 HD13 ILE 36 -3.332 -7.579 1.570 287 2HD1 ILE 36 HD12 ILE 36 -2.734 -6.698 0.164 288 3HD1 ILE 36 HD11 ILE 36 -4.437 -7.147 0.264 289 H PHE 37 HN PHE 37 -2.505 -12.485 -2.080 290 HA PHE 37 HA PHE 37 -5.352 -12.110 -2.885 291 1HB PHE 37 HB2 PHE 37 -2.926 -11.617 -4.641 292 2HB PHE 37 HB1 PHE 37 -4.600 -11.606 -5.197 293 HD1 PHE 37 HD2 PHE 37 -6.206 -9.903 -4.269 294 HD2 PHE 37 HD1 PHE 37 -1.982 -9.746 -3.503 295 HE1 PHE 37 HE2 PHE 37 -6.420 -7.531 -3.573 296 HE2 PHE 37 HE1 PHE 37 -2.196 -7.376 -2.807 297 HZ PHE 37 HZ PHE 37 -4.416 -6.269 -2.843 298 H ALA 38 HN ALA 38 -3.831 -14.412 -1.809 299 HA ALA 38 HA ALA 38 -3.389 -16.215 -4.068 300 1HB ALA 38 HB2 ALA 38 -2.203 -16.287 -1.780 301 2HB ALA 38 HB1 ALA 38 -3.683 -17.032 -1.176 302 3HB ALA 38 HB3 ALA 38 -2.750 -17.825 -2.447 303 H ALA 39 HN ALA 39 -5.655 -16.298 -1.303 304 HA ALA 39 HA ALA 39 -7.827 -17.122 -3.118 305 1HB ALA 39 HB3 ALA 39 -6.459 -19.191 -2.295 306 2HB ALA 39 HB2 ALA 39 -7.261 -18.896 -0.753 307 3HB ALA 39 HB1 ALA 39 -8.219 -19.243 -2.193 308 H SER 40 HN SER 40 -8.650 -15.051 -2.323 309 HA SER 40 HA SER 40 -9.476 -15.080 0.543 310 1HB SER 40 HB2 SER 40 -8.250 -13.081 -0.746 311 2HB SER 40 HB1 SER 40 -9.908 -12.691 -1.199 312 HG SER 40 HG SER 40 -10.188 -11.982 0.750 313 H LYS 41 HN LYS 41 -11.410 -16.171 0.643 314 HA LYS 41 HA LYS 41 -13.602 -15.147 -1.108 315 1HB LYS 41 HB2 LYS 41 -12.851 -18.010 -0.506 316 2HB LYS 41 HB1 LYS 41 -14.487 -17.572 -0.997 317 1HG LYS 41 HG2 LYS 41 -13.203 -16.271 -2.920 318 2HG LYS 41 HG1 LYS 41 -11.941 -17.452 -2.568 319 1HD LYS 41 HD2 LYS 41 -13.730 -19.250 -2.779 320 2HD LYS 41 HD1 LYS 41 -14.791 -17.998 -3.426 321 1HE LYS 41 HE2 LYS 41 -12.052 -18.568 -4.577 322 2HE LYS 41 HE1 LYS 41 -13.515 -19.359 -5.163 323 1HZ LYS 41 HZ1 LYS 41 -14.307 -16.836 -5.188 324 2HZ LYS 41 HZ3 LYS 41 -12.650 -16.599 -5.460 325 3HZ LYS 41 HZ2 LYS 41 -13.551 -17.578 -6.517 326 H ASP 42 HN ASP 42 -12.847 -14.494 1.673 327 HA ASP 42 HA ASP 42 -15.471 -14.738 2.865 328 1HB ASP 42 HB2 ASP 42 -14.992 -16.202 4.694 329 2HB ASP 42 HB1 ASP 42 -14.421 -17.039 3.250 330 H THR 43 HN THR 43 -13.565 -12.638 2.257 331 HA THR 43 HA THR 43 -13.107 -11.625 5.034 332 HB THR 43 HB THR 43 -11.362 -10.544 2.905 333 HG1 THR 43 HG1 THR 43 -10.073 -12.632 3.563 334 1HG2 THR 43 HG22 THR 43 -11.453 -10.460 5.639 335 2HG2 THR 43 HG21 THR 43 -10.255 -11.727 5.369 336 3HG2 THR 43 HG23 THR 43 -10.011 -10.122 4.681 337 H THR 44 HN THR 44 -12.719 -9.077 4.804 338 HA THR 44 HA THR 44 -14.896 -8.062 3.025 339 HB THR 44 HB THR 44 -14.846 -6.146 4.850 340 HG1 THR 44 HG1 THR 44 -13.349 -6.720 6.241 341 1HG2 THR 44 HG23 THR 44 -16.197 -8.778 4.741 342 2HG2 THR 44 HG22 THR 44 -16.309 -7.925 6.282 343 3HG2 THR 44 HG21 THR 44 -16.889 -7.157 4.804 344 H GLU 45 HN GLU 45 -14.545 -5.488 2.834 345 HA GLU 45 HA GLU 45 -11.983 -5.213 1.459 346 1HB GLU 45 HB2 GLU 45 -12.776 -3.018 0.802 347 2HB GLU 45 HB1 GLU 45 -14.113 -4.155 0.633 348 1HG GLU 45 HG2 GLU 45 -14.820 -3.465 2.992 349 2HG GLU 45 HG1 GLU 45 -13.658 -2.144 2.849 350 H LYS 46 HN LYS 46 -13.475 -3.881 4.405 351 HA LYS 46 HA LYS 46 -11.310 -2.117 5.029 352 1HB LYS 46 HB2 LYS 46 -12.232 -2.237 7.365 353 2HB LYS 46 HB1 LYS 46 -13.429 -1.825 6.139 354 1HG LYS 46 HG2 LYS 46 -13.204 -4.709 6.491 355 2HG LYS 46 HG1 LYS 46 -13.615 -3.903 8.004 356 1HD LYS 46 HD2 LYS 46 -15.081 -2.899 5.647 357 2HD LYS 46 HD1 LYS 46 -15.438 -4.572 6.075 358 1HE LYS 46 HE2 LYS 46 -16.114 -3.969 8.282 359 2HE LYS 46 HE1 LYS 46 -15.432 -2.350 8.125 360 1HZ LYS 46 HZ1 LYS 46 -17.095 -2.263 6.117 361 2HZ LYS 46 HZ3 LYS 46 -17.914 -3.440 7.021 362 3HZ LYS 46 HZ2 LYS 46 -17.608 -1.913 7.699 363 H GLU 47 HN GLU 47 -11.742 -5.565 5.468 364 HA GLU 47 HA GLU 47 -9.544 -5.810 7.379 365 1HB GLU 47 HB2 GLU 47 -11.532 -7.572 6.149 366 2HB GLU 47 HB1 GLU 47 -9.940 -8.322 6.263 367 1HG GLU 47 HG2 GLU 47 -9.853 -8.057 8.612 368 2HG GLU 47 HG1 GLU 47 -11.151 -6.865 8.611 369 H THR 48 HN THR 48 -9.977 -6.886 3.973 370 HA THR 48 HA THR 48 -7.285 -7.641 3.532 371 HB THR 48 HB THR 48 -9.091 -6.333 1.478 372 HG1 THR 48 HG1 THR 48 -9.173 -8.792 2.760 373 1HG2 THR 48 HG21 THR 48 -6.484 -7.551 1.404 374 2HG2 THR 48 HG23 THR 48 -7.614 -8.522 0.461 375 3HG2 THR 48 HG22 THR 48 -7.395 -6.813 0.087 376 H PHE 49 HN PHE 49 -8.711 -4.470 3.763 377 HA PHE 49 HA PHE 49 -6.596 -3.031 2.411 378 1HB PHE 49 HB2 PHE 49 -8.882 -2.309 4.223 379 2HB PHE 49 HB1 PHE 49 -7.632 -1.112 3.893 380 HD1 PHE 49 HD1 PHE 49 -8.794 -3.740 1.513 381 HD2 PHE 49 HD2 PHE 49 -8.896 0.425 2.566 382 HE1 PHE 49 HE1 PHE 49 -9.920 -3.230 -0.627 383 HE2 PHE 49 HE2 PHE 49 -10.021 0.933 0.414 384 HZ PHE 49 HZ PHE 49 -10.542 -0.900 -1.172 385 H CYS 50 HN CYS 50 -7.451 -3.268 5.894 386 HA CYS 50 HA CYS 50 -5.090 -2.066 6.887 387 1HB CYS 50 HB2 CYS 50 -5.816 -2.746 8.963 388 2HB CYS 50 HB1 CYS 50 -7.306 -3.032 8.066 389 NH1 ARG 51 NH2 ARG 51 -6.507 -10.798 8.244 390 NH2 ARG 51 NH1 ARG 51 -5.412 -12.682 7.651 391 H ARG 51 HN ARG 51 -5.596 -5.255 5.541 392 HA ARG 51 HA ARG 51 -3.278 -6.534 6.658 393 1HB ARG 51 HB2 ARG 51 -5.377 -7.301 4.993 394 2HB ARG 51 HB1 ARG 51 -3.960 -7.400 3.949 395 1HG ARG 51 HG2 ARG 51 -3.571 -9.411 4.909 396 2HG ARG 51 HG1 ARG 51 -3.069 -8.503 6.336 397 1HD ARG 51 HD2 ARG 51 -5.136 -8.779 7.400 398 2HD ARG 51 HD1 ARG 51 -5.983 -9.093 5.886 399 HE ARG 51 HE ARG 51 -4.210 -11.209 6.102 400 1HH1 ARG 51 HH21 ARG 51 -6.667 -9.817 8.153 401 2HH1 ARG 51 HH22 ARG 51 -7.041 -11.329 8.902 402 1HH2 ARG 51 HH11 ARG 51 -4.724 -13.150 7.097 403 2HH2 ARG 51 HH12 ARG 51 -5.955 -13.196 8.314 404 H ALA 52 HN ALA 52 -3.819 -5.085 3.421 405 HA ALA 52 HA ALA 52 -1.058 -5.206 2.658 406 1HB ALA 52 HB3 ALA 52 -3.278 -3.363 1.725 407 2HB ALA 52 HB2 ALA 52 -1.702 -3.498 0.948 408 3HB ALA 52 HB1 ALA 52 -2.791 -4.884 0.977 409 H ALA 53 HN ALA 53 -2.747 -3.125 4.847 410 HA ALA 53 HA ALA 53 -0.928 -0.866 4.601 411 1HB ALA 53 HB1 ALA 53 -3.315 -1.553 6.139 412 2HB ALA 53 HB3 ALA 53 -2.102 -0.743 7.131 413 3HB ALA 53 HB2 ALA 53 -2.709 0.036 5.668 414 H THR 54 HN THR 54 -1.138 -3.799 6.532 415 HA THR 54 HA THR 54 0.949 -3.039 8.404 416 HB THR 54 HB THR 54 -0.646 -5.464 7.800 417 HG1 THR 54 HG1 THR 54 -0.639 -3.796 9.632 418 1HG2 THR 54 HG22 THR 54 2.184 -5.591 8.851 419 2HG2 THR 54 HG21 THR 54 0.994 -6.851 9.178 420 3HG2 THR 54 HG23 THR 54 1.481 -6.507 7.519 421 H VAL 55 HN VAL 55 0.818 -5.012 5.437 422 HA VAL 55 HA VAL 55 3.581 -5.741 5.388 423 HB VAL 55 HB VAL 55 1.751 -5.202 3.020 424 1HG1 VAL 55 HG13 VAL 55 4.208 -5.448 2.547 425 2HG1 VAL 55 HG12 VAL 55 4.146 -7.044 3.292 426 3HG1 VAL 55 HG11 VAL 55 3.223 -6.720 1.824 427 1HG2 VAL 55 HG23 VAL 55 1.400 -7.046 5.096 428 2HG2 VAL 55 HG22 VAL 55 0.643 -7.111 3.504 429 3HG2 VAL 55 HG21 VAL 55 2.147 -7.983 3.803 430 H LEU 56 HN LEU 56 1.817 -2.912 4.220 431 HA LEU 56 HA LEU 56 4.027 -1.623 2.921 432 1HB LEU 56 HB2 LEU 56 1.287 -1.004 3.570 433 2HB LEU 56 HB1 LEU 56 2.312 0.356 4.028 434 HG LEU 56 HG LEU 56 3.403 0.045 1.694 435 1HD1 LEU 56 HD13 LEU 56 0.781 -1.442 1.344 436 2HD1 LEU 56 HD12 LEU 56 1.822 -0.916 0.021 437 3HD1 LEU 56 HD11 LEU 56 2.400 -2.123 1.170 438 1HD2 LEU 56 HD23 LEU 56 1.424 1.683 2.638 439 2HD2 LEU 56 HD22 LEU 56 2.119 1.808 1.021 440 3HD2 LEU 56 HD21 LEU 56 0.611 0.928 1.267 441 NH1 ARG 57 NH2 ARG 57 2.586 -2.107 13.244 442 NH2 ARG 57 NH1 ARG 57 4.069 -0.583 14.006 443 H ARG 57 HN ARG 57 2.902 -1.786 6.249 444 HA ARG 57 HA ARG 57 4.444 0.335 7.341 445 1HB ARG 57 HB2 ARG 57 3.274 -0.373 9.132 446 2HB ARG 57 HB1 ARG 57 2.885 -1.890 8.327 447 1HG ARG 57 HG2 ARG 57 5.009 -2.864 9.057 448 2HG ARG 57 HG1 ARG 57 5.486 -1.329 9.789 449 1HD ARG 57 HD2 ARG 57 2.852 -2.259 10.682 450 2HD ARG 57 HD1 ARG 57 4.155 -3.377 11.088 451 HE ARG 57 HE ARG 57 5.152 -0.903 11.829 452 1HH1 ARG 57 HH21 ARG 57 2.260 -2.727 12.533 453 2HH1 ARG 57 HH22 ARG 57 2.084 -2.034 14.106 454 1HH2 ARG 57 HH11 ARG 57 4.892 -0.029 13.876 455 2HH2 ARG 57 HH12 ARG 57 3.557 -0.523 14.863 456 H GLN 58 HN GLN 58 5.254 -3.092 6.767 457 HA GLN 58 HA GLN 58 7.881 -2.965 7.908 458 1HB GLN 58 HB2 GLN 58 6.732 -5.100 7.362 459 2HB GLN 58 HB1 GLN 58 6.886 -4.727 5.645 460 1HG GLN 58 HG2 GLN 58 9.100 -5.259 5.596 461 2HG GLN 58 HG1 GLN 58 9.403 -4.545 7.180 462 1HE2 GLN 58 HE22 GLN 58 8.586 -7.576 8.960 463 2HE2 GLN 58 HE21 GLN 58 8.523 -5.885 9.100 464 H PHE 59 HN PHE 59 6.592 -2.161 4.735 465 HA PHE 59 HA PHE 59 9.039 -1.901 3.304 466 1HB PHE 59 HB2 PHE 59 6.467 -1.644 2.607 467 2HB PHE 59 HB1 PHE 59 6.844 0.061 2.819 468 HD1 PHE 59 HD2 PHE 59 9.745 0.049 1.954 469 HD2 PHE 59 HD1 PHE 59 6.267 -1.820 0.260 470 HE1 PHE 59 HE2 PHE 59 10.816 0.081 -0.276 471 HE2 PHE 59 HE1 PHE 59 7.342 -1.784 -1.973 472 HZ PHE 59 HZ PHE 59 9.615 -0.833 -2.243 473 OH TYR 60 OH TYR 60 5.770 4.230 10.624 474 H TYR 60 HN TYR 60 7.124 0.734 4.812 475 HA TYR 60 HA TYR 60 9.418 2.537 4.653 476 1HB TYR 60 HB2 TYR 60 7.864 4.167 4.857 477 2HB TYR 60 HB1 TYR 60 6.669 2.880 4.705 478 HD1 TYR 60 HD2 TYR 60 6.001 1.629 6.888 479 HD2 TYR 60 HD1 TYR 60 7.973 5.444 6.821 480 HE1 TYR 60 HE2 TYR 60 5.250 2.056 9.213 481 HE2 TYR 60 HE1 TYR 60 7.223 5.873 9.146 482 HH TYR 60 HH TYR 60 5.475 3.397 10.998 483 H SER 61 HN SER 61 8.760 0.097 6.793 484 HA SER 61 HA SER 61 9.571 1.619 9.192 485 1HB SER 61 HB2 SER 61 7.859 -0.084 9.515 486 2HB SER 61 HB1 SER 61 8.896 -1.309 8.789 487 HG SER 61 HG SER 61 8.974 -1.334 11.083 488 H HIS 62 HN HIS 62 10.691 -1.410 7.663 489 HA HIS 62 HA HIS 62 13.405 -0.890 8.722 490 1HB HIS 62 HB2 HIS 62 12.088 -3.270 7.414 491 2HB HIS 62 HB1 HIS 62 13.829 -3.206 7.693 492 HD1 HIS 62 HD1 HIS 62 11.826 -5.174 9.200 493 HD2 HIS 62 HD2 HIS 62 13.328 -1.598 10.729 494 HE1 HIS 62 HE1 HIS 62 11.681 -5.357 11.722 495 H HIS 63 HN HIS 63 11.791 -1.336 5.574 496 HA HIS 63 HA HIS 63 14.331 -0.794 4.170 497 1HB HIS 63 HB2 HIS 63 11.643 -1.090 2.847 498 2HB HIS 63 HB1 HIS 63 13.238 -1.495 2.211 499 HD1 HIS 63 HD1 HIS 63 14.177 -3.025 4.853 500 HD2 HIS 63 HD2 HIS 63 10.657 -3.746 2.738 501 HE1 HIS 63 HE1 HIS 63 13.474 -5.392 5.417 502 H GLU 64 HN GLU 64 13.075 1.394 5.768 503 HA GLU 64 HA GLU 64 12.109 3.246 3.677 504 1HB GLU 64 HB2 GLU 64 11.044 4.257 5.382 505 2HB GLU 64 HB1 GLU 64 11.634 2.966 6.427 506 1HG GLU 64 HG2 GLU 64 13.724 4.279 6.813 507 2HG GLU 64 HG1 GLU 64 13.031 5.596 5.862 508 H LYS 65 HN LYS 65 14.935 2.671 5.698 509 HA LYS 65 HA LYS 65 16.371 4.759 4.117 510 1HB LYS 65 HB2 LYS 65 16.284 4.340 7.089 511 2HB LYS 65 HB1 LYS 65 17.758 4.967 6.351 512 1HG LYS 65 HG2 LYS 65 15.820 6.481 5.120 513 2HG LYS 65 HG1 LYS 65 15.152 6.280 6.740 514 1HD LYS 65 HD2 LYS 65 16.844 7.470 7.739 515 2HD LYS 65 HD1 LYS 65 18.049 6.943 6.562 516 1HE LYS 65 HE2 LYS 65 16.797 8.402 4.861 517 2HE LYS 65 HE1 LYS 65 15.958 9.102 6.245 518 1HZ LYS 65 HZ3 LYS 65 18.214 9.543 7.200 519 2HZ LYS 65 HZ2 LYS 65 18.869 9.120 5.690 520 3HZ LYS 65 HZ1 LYS 65 17.826 10.455 5.823 521 H ASP 66 HN ASP 66 16.224 1.889 3.670 522 HA ASP 66 HA ASP 66 18.802 0.836 4.646 523 1HB ASP 66 HB2 ASP 66 16.355 -0.272 3.471 524 2HB ASP 66 HB1 ASP 66 17.823 -0.977 2.792 525 H THR 67 HN THR 67 20.526 0.254 3.218 526 HA THR 67 HA THR 67 20.904 2.091 1.013 527 HB THR 67 HB THR 67 22.708 1.100 2.545 528 HG1 THR 67 HG1 THR 67 24.194 1.114 0.819 529 1HG2 THR 67 HG21 THR 67 21.711 -1.287 1.836 530 2HG2 THR 67 HG23 THR 67 22.941 -1.126 0.583 531 3HG2 THR 67 HG22 THR 67 23.404 -1.073 2.283 532 NH1 ARG 68 NH2 ARG 68 20.932 -5.904 2.386 533 NH2 ARG 68 NH1 ARG 68 19.184 -5.581 3.781 534 H ARG 68 HN ARG 68 19.380 -0.978 1.222 535 HA ARG 68 HA ARG 68 20.039 -2.183 -1.236 536 1HB ARG 68 HB2 ARG 68 18.084 -2.542 0.780 537 2HB ARG 68 HB1 ARG 68 17.210 -2.439 -0.748 538 1HG ARG 68 HG2 ARG 68 17.753 -4.729 -0.573 539 2HG ARG 68 HG1 ARG 68 18.995 -4.086 -1.647 540 1HD ARG 68 HD2 ARG 68 20.123 -5.448 -0.020 541 2HD ARG 68 HD1 ARG 68 20.457 -3.768 0.401 542 HE ARG 68 HE ARG 68 18.197 -4.385 1.879 543 1HH1 ARG 68 HH21 ARG 68 21.374 -5.784 1.499 544 2HH1 ARG 68 HH22 ARG 68 21.403 -6.408 3.110 545 1HH2 ARG 68 HH11 ARG 68 18.275 -5.208 3.963 546 2HH2 ARG 68 HH12 ARG 68 19.671 -6.084 4.494 547 H CYS 69 HN CYS 69 17.353 0.116 -0.599 548 HA CYS 69 HA CYS 69 16.836 0.365 -3.472 549 1HB CYS 69 HB2 CYS 69 15.180 0.593 -1.407 550 2HB CYS 69 HB1 CYS 69 15.688 2.280 -1.481 551 H LEU 70 HN LEU 70 18.687 2.101 -1.059 552 HA LEU 70 HA LEU 70 18.847 4.629 -2.372 553 1HB LEU 70 HB2 LEU 70 20.860 3.206 -0.609 554 2HB LEU 70 HB1 LEU 70 20.996 4.892 -1.106 555 HG LEU 70 HG LEU 70 18.549 3.805 0.303 556 1HD1 LEU 70 HD11 LEU 70 21.204 4.567 1.360 557 2HD1 LEU 70 HD13 LEU 70 19.836 5.337 2.163 558 3HD1 LEU 70 HD12 LEU 70 19.942 3.578 2.094 559 1HD2 LEU 70 HD23 LEU 70 19.664 6.571 -0.253 560 2HD2 LEU 70 HD22 LEU 70 18.160 5.882 -0.867 561 3HD2 LEU 70 HD21 LEU 70 18.318 6.269 0.846 562 H GLY 71 HN GLY 71 21.603 2.359 -2.246 563 1HA GLY 71 HA2 GLY 71 22.461 1.408 -4.404 564 2HA GLY 71 HA1 GLY 71 22.052 2.955 -5.144 565 H ALA 72 HN ALA 72 23.662 4.457 -5.248 566 HA ALA 72 HA ALA 72 25.731 4.601 -3.178 567 1HB ALA 72 HB2 ALA 72 26.320 3.592 -5.963 568 2HB ALA 72 HB1 ALA 72 27.560 4.371 -4.980 569 3HB ALA 72 HB3 ALA 72 26.798 2.882 -4.421 570 H THR 73 HN THR 73 23.994 6.570 -3.707 571 HA THR 73 HA THR 73 25.685 8.733 -4.609 572 HB THR 73 HB THR 73 25.130 7.964 -6.830 573 HG1 THR 73 HG1 THR 73 24.930 10.053 -7.044 574 1HG2 THR 73 HG23 THR 73 22.397 7.688 -5.628 575 2HG2 THR 73 HG22 THR 73 22.547 7.982 -7.361 576 3HG2 THR 73 HG21 THR 73 23.291 6.553 -6.640 577 H ALA 74 HN ALA 74 24.352 10.841 -4.635 578 HA ALA 74 HA ALA 74 22.530 10.757 -2.323 579 1HB ALA 74 HB1 ALA 74 24.031 12.859 -3.808 580 2HB ALA 74 HB3 ALA 74 22.547 13.357 -2.996 581 3HB ALA 74 HB2 ALA 74 23.855 12.620 -2.070 582 H GLN 75 HN GLN 75 22.337 11.101 -5.798 583 HA GLN 75 HA GLN 75 19.800 12.384 -5.991 584 1HB GLN 75 HB2 GLN 75 21.660 11.256 -7.769 585 2HB GLN 75 HB1 GLN 75 20.166 10.359 -8.037 586 1HG GLN 75 HG2 GLN 75 18.933 12.373 -8.473 587 2HG GLN 75 HG1 GLN 75 20.272 13.381 -7.926 588 1HE2 GLN 75 HE22 GLN 75 22.116 13.049 -10.968 589 2HE2 GLN 75 HE21 GLN 75 22.233 13.445 -9.322 590 H GLN 76 HN GLN 76 20.631 8.910 -5.811 591 HA GLN 76 HA GLN 76 17.953 7.948 -6.004 592 1HB GLN 76 HB2 GLN 76 20.553 6.850 -5.470 593 2HB GLN 76 HB1 GLN 76 19.421 6.231 -4.268 594 1HG GLN 76 HG2 GLN 76 18.631 4.792 -5.807 595 2HG GLN 76 HG1 GLN 76 18.066 6.161 -6.763 596 1HE2 GLN 76 HE22 GLN 76 21.317 6.214 -8.587 597 2HE2 GLN 76 HE21 GLN 76 20.448 7.320 -7.636 598 H PHE 77 HN PHE 77 19.801 9.218 -3.296 599 HA PHE 77 HA PHE 77 17.891 8.355 -1.278 600 1HB PHE 77 HB2 PHE 77 19.995 8.761 -0.354 601 2HB PHE 77 HB1 PHE 77 20.257 10.205 -1.332 602 HD1 PHE 77 HD1 PHE 77 18.311 8.827 1.523 603 HD2 PHE 77 HD2 PHE 77 19.572 12.361 -0.569 604 HE1 PHE 77 HE1 PHE 77 17.435 10.233 3.370 605 HE2 PHE 77 HE2 PHE 77 18.695 13.766 1.277 606 HZ PHE 77 HZ PHE 77 17.627 12.702 3.247 607 H HIS 78 HN HIS 78 18.197 11.111 -3.412 608 HA HIS 78 HA HIS 78 16.442 12.871 -1.942 609 1HB HIS 78 HB2 HIS 78 18.072 13.585 -3.736 610 2HB HIS 78 HB1 HIS 78 16.983 12.865 -4.923 611 HD1 HIS 78 HD1 HIS 78 15.821 14.788 -6.014 612 HD2 HIS 78 HD2 HIS 78 16.004 15.247 -1.875 613 HE1 HIS 78 HE1 HIS 78 14.492 16.873 -5.464 614 NH1 ARG 79 NH2 ARG 79 11.317 13.134 -7.609 615 NH2 ARG 79 NH1 ARG 79 10.366 11.411 -8.718 616 H ARG 79 HN ARG 79 15.962 10.511 -4.546 617 HA ARG 79 HA ARG 79 13.095 11.108 -4.717 618 1HB ARG 79 HB2 ARG 79 14.606 8.756 -5.888 619 2HB ARG 79 HB1 ARG 79 13.025 9.358 -6.386 620 1HG ARG 79 HG2 ARG 79 15.556 11.017 -6.504 621 2HG ARG 79 HG1 ARG 79 14.927 10.097 -7.872 622 1HD ARG 79 HD2 ARG 79 13.396 12.242 -6.372 623 2HD ARG 79 HD1 ARG 79 14.186 12.468 -7.932 624 HE ARG 79 HE ARG 79 12.521 10.297 -8.349 625 1HH1 ARG 79 HH21 ARG 79 12.092 13.543 -7.131 626 2HH1 ARG 79 HH22 ARG 79 10.471 13.655 -7.716 627 1HH2 ARG 79 HH11 ARG 79 10.416 10.486 -9.096 628 2HH2 ARG 79 HH12 ARG 79 9.528 11.947 -8.816 629 H HIS 80 HN HIS 80 15.144 8.902 -2.946 630 HA HIS 80 HA HIS 80 13.074 6.970 -2.341 631 1HB HIS 80 HB2 HIS 80 15.520 6.479 -2.193 632 2HB HIS 80 HB1 HIS 80 15.622 7.568 -0.809 633 HD1 HIS 80 HD1 HIS 80 12.597 5.402 -1.217 634 HD2 HIS 80 HD2 HIS 80 16.154 5.373 0.957 635 HE1 HIS 80 HE1 HIS 80 12.345 3.601 0.545 636 H LYS 81 HN LYS 81 14.347 9.851 -0.696 637 HA LYS 81 HA LYS 81 12.967 9.557 1.760 638 1HB LYS 81 HB2 LYS 81 14.700 11.374 0.892 639 2HB LYS 81 HB1 LYS 81 13.225 12.276 0.539 640 1HG LYS 81 HG2 LYS 81 12.917 11.126 3.127 641 2HG LYS 81 HG1 LYS 81 14.506 11.891 3.075 642 1HD LYS 81 HD2 LYS 81 13.593 14.006 2.502 643 2HD LYS 81 HD1 LYS 81 12.033 13.305 2.073 644 1HE LYS 81 HE2 LYS 81 11.732 12.628 4.463 645 2HE LYS 81 HE1 LYS 81 13.230 13.475 4.854 646 1HZ LYS 81 HZ2 LYS 81 11.847 15.317 3.443 647 2HZ LYS 81 HZ1 LYS 81 10.612 14.536 4.309 648 3HZ LYS 81 HZ3 LYS 81 11.914 15.236 5.139 649 H GLN 82 HN GLN 82 11.884 10.936 -1.324 650 HA GLN 82 HA GLN 82 9.369 11.916 -0.369 651 1HB GLN 82 HB2 GLN 82 10.092 10.915 -3.141 652 2HB GLN 82 HB1 GLN 82 8.699 11.920 -2.740 653 1HG GLN 82 HG2 GLN 82 11.545 12.748 -2.129 654 2HG GLN 82 HG1 GLN 82 10.728 13.174 -3.633 655 1HE2 GLN 82 HE22 GLN 82 8.641 15.622 -2.123 656 2HE2 GLN 82 HE21 GLN 82 8.930 14.697 -3.516 657 H LEU 83 HN LEU 83 10.441 8.732 -1.425 658 HA LEU 83 HA LEU 83 7.816 7.563 -1.648 659 1HB LEU 83 HB2 LEU 83 9.863 6.539 -2.624 660 2HB LEU 83 HB1 LEU 83 10.460 6.221 -0.996 661 HG LEU 83 HG LEU 83 8.028 5.079 -0.782 662 1HD1 LEU 83 HD11 LEU 83 7.897 5.764 -3.377 663 2HD1 LEU 83 HD13 LEU 83 8.712 4.210 -3.547 664 3HD1 LEU 83 HD12 LEU 83 7.141 4.299 -2.752 665 1HD2 LEU 83 HD22 LEU 83 10.667 4.034 -1.769 666 2HD2 LEU 83 HD21 LEU 83 9.872 3.760 -0.219 667 3HD2 LEU 83 HD23 LEU 83 9.287 2.941 -1.668 668 H ILE 84 HN ILE 84 10.077 8.017 1.028 669 HA ILE 84 HA ILE 84 8.761 6.304 2.904 670 HB ILE 84 HB ILE 84 10.239 8.854 3.590 671 1HG1 ILE 84 HG12 ILE 84 11.749 7.794 2.122 672 2HG1 ILE 84 HG11 ILE 84 12.225 7.170 3.701 673 1HG2 ILE 84 HG22 ILE 84 8.993 7.404 5.333 674 2HG2 ILE 84 HG21 ILE 84 10.250 6.204 5.037 675 3HG2 ILE 84 HG23 ILE 84 10.681 7.797 5.662 676 1HD1 ILE 84 HD11 ILE 84 10.457 5.287 3.152 677 2HD1 ILE 84 HD13 ILE 84 10.752 5.786 1.486 678 3HD1 ILE 84 HD12 ILE 84 12.084 5.196 2.479 679 NH1 ARG 85 NH2 ARG 85 5.434 16.442 1.638 680 NH2 ARG 85 NH1 ARG 85 3.194 16.290 1.382 681 H ARG 85 HN ARG 85 8.245 9.704 2.033 682 HA ARG 85 HA ARG 85 6.285 10.144 4.134 683 1HB ARG 85 HB2 ARG 85 6.821 12.251 3.547 684 2HB ARG 85 HB1 ARG 85 7.576 11.699 2.053 685 1HG ARG 85 HG2 ARG 85 5.412 11.670 0.922 686 2HG ARG 85 HG1 ARG 85 4.590 12.096 2.425 687 1HD ARG 85 HD2 ARG 85 6.309 14.127 2.373 688 2HD ARG 85 HD1 ARG 85 6.286 13.794 0.642 689 HE ARG 85 HE ARG 85 3.606 13.872 1.339 690 1HH1 ARG 85 HH21 ARG 85 6.333 16.017 1.723 691 2HH1 ARG 85 HH22 ARG 85 5.352 17.438 1.666 692 1HH2 ARG 85 HH11 ARG 85 2.367 15.739 1.268 693 2HH2 ARG 85 HH12 ARG 85 3.130 17.287 1.411 694 H PHE 86 HN PHE 86 6.171 9.109 0.768 695 HA PHE 86 HA PHE 86 3.355 9.429 0.382 696 1HB PHE 86 HB2 PHE 86 5.581 8.166 -1.007 697 2HB PHE 86 HB1 PHE 86 4.118 7.186 -1.116 698 HD1 PHE 86 HD2 PHE 86 1.931 9.009 -1.220 699 HD2 PHE 86 HD1 PHE 86 5.841 9.451 -2.938 700 HE1 PHE 86 HE2 PHE 86 1.008 10.568 -2.913 701 HE2 PHE 86 HE1 PHE 86 4.919 11.011 -4.632 702 HZ PHE 86 HZ PHE 86 2.503 11.571 -4.620 703 H LEU 87 HN LEU 87 5.285 6.722 1.640 704 HA LEU 87 HA LEU 87 3.021 4.949 1.945 705 1HB LEU 87 HB2 LEU 87 5.589 4.419 1.911 706 2HB LEU 87 HB1 LEU 87 5.496 4.757 3.639 707 HG LEU 87 HG LEU 87 3.417 2.957 2.486 708 1HD1 LEU 87 HD11 LEU 87 6.337 2.263 2.822 709 2HD1 LEU 87 HD13 LEU 87 5.074 1.037 2.925 710 3HD1 LEU 87 HD12 LEU 87 5.294 1.954 1.435 711 1HD2 LEU 87 HD21 LEU 87 4.684 3.592 5.069 712 2HD2 LEU 87 HD23 LEU 87 3.067 2.976 4.734 713 3HD2 LEU 87 HD22 LEU 87 4.435 1.866 4.803 714 H LYS 88 HN LYS 88 4.685 7.226 4.105 715 HA LYS 88 HA LYS 88 3.432 6.548 6.533 716 1HB LYS 88 HB2 LYS 88 4.743 8.940 5.415 717 2HB LYS 88 HB1 LYS 88 3.570 9.286 6.687 718 1HG LYS 88 HG2 LYS 88 4.819 7.199 7.833 719 2HG LYS 88 HG1 LYS 88 6.146 7.800 6.838 720 1HD LYS 88 HD2 LYS 88 4.699 9.946 8.208 721 2HD LYS 88 HD1 LYS 88 5.427 8.791 9.326 722 1HE LYS 88 HE2 LYS 88 7.594 9.039 8.131 723 2HE LYS 88 HE1 LYS 88 6.856 10.253 7.086 724 1HZ LYS 88 HZ1 LYS 88 6.661 10.586 9.992 725 2HZ LYS 88 HZ3 LYS 88 8.134 10.946 9.234 726 3HZ LYS 88 HZ2 LYS 88 6.720 11.765 8.770 727 NH1 ARG 89 NH2 ARG 89 0.754 12.803 1.084 728 NH2 ARG 89 NH1 ARG 89 -0.906 11.928 -0.170 729 H ARG 89 HN ARG 89 2.258 8.683 3.930 730 HA ARG 89 HA ARG 89 -0.154 9.446 5.304 731 1HB ARG 89 HB2 ARG 89 0.743 9.505 2.432 732 2HB ARG 89 HB1 ARG 89 -0.922 9.906 2.853 733 1HG ARG 89 HG2 ARG 89 0.830 11.257 4.675 734 2HG ARG 89 HG1 ARG 89 1.369 11.581 3.029 735 1HD ARG 89 HD2 ARG 89 -1.414 12.000 4.141 736 2HD ARG 89 HD1 ARG 89 -0.287 13.259 3.647 737 HE ARG 89 HE ARG 89 -2.114 11.815 1.952 738 1HH1 ARG 89 HH21 ARG 89 1.103 13.126 1.961 739 2HH1 ARG 89 HH22 ARG 89 1.315 12.898 0.262 740 1HH2 ARG 89 HH11 ARG 89 -1.834 11.565 -0.251 741 2HH2 ARG 89 HH12 ARG 89 -0.339 12.038 -0.987 742 H LEU 90 HN LEU 90 0.537 6.927 2.879 743 HA LEU 90 HA LEU 90 -2.186 5.954 2.826 744 1HB LEU 90 HB2 LEU 90 -0.034 5.585 1.219 745 2HB LEU 90 HB1 LEU 90 -0.011 4.072 2.126 746 HG LEU 90 HG LEU 90 -2.515 3.903 1.611 747 1HD1 LEU 90 HD13 LEU 90 -1.721 6.327 0.078 748 2HD1 LEU 90 HD12 LEU 90 -2.796 5.194 -0.742 749 3HD1 LEU 90 HD11 LEU 90 -3.276 5.911 0.797 750 1HD2 LEU 90 HD21 LEU 90 -0.452 3.790 -0.611 751 2HD2 LEU 90 HD23 LEU 90 -0.902 2.480 0.479 752 3HD2 LEU 90 HD22 LEU 90 -2.057 3.069 -0.715 753 H ASP 91 HN ASP 91 0.191 5.668 5.234 754 HA ASP 91 HA ASP 91 -0.388 2.945 6.048 755 1HB ASP 91 HB2 ASP 91 1.698 4.285 6.647 756 2HB ASP 91 HB1 ASP 91 0.692 5.161 7.803 757 NH1 ARG 92 NH2 ARG 92 -2.919 5.975 14.030 758 NH2 ARG 92 NH1 ARG 92 -0.700 6.015 14.456 759 H ARG 92 HN ARG 92 -1.526 6.159 7.076 760 HA ARG 92 HA ARG 92 -3.409 4.913 8.977 761 1HB ARG 92 HB2 ARG 92 -2.841 7.806 8.275 762 2HB ARG 92 HB1 ARG 92 -4.000 7.289 9.501 763 1HG ARG 92 HG2 ARG 92 -1.201 6.225 9.620 764 2HG ARG 92 HG1 ARG 92 -1.515 7.866 10.187 765 1HD ARG 92 HD2 ARG 92 -3.291 6.992 11.682 766 2HD ARG 92 HD1 ARG 92 -2.919 5.354 11.144 767 HE ARG 92 HE ARG 92 -0.484 6.334 12.035 768 1HH1 ARG 92 HH21 ARG 92 -3.686 6.023 13.392 769 2HH1 ARG 92 HH22 ARG 92 -3.094 5.844 15.005 770 1HH2 ARG 92 HH11 ARG 92 0.245 6.094 14.138 771 2HH2 ARG 92 HH12 ARG 92 -0.892 5.884 15.428 772 H ASN 93 HN ASN 93 -3.440 6.314 5.766 773 HA ASN 93 HA ASN 93 -6.342 6.706 5.748 774 1HB ASN 93 HB2 ASN 93 -4.080 7.205 3.929 775 2HB ASN 93 HB1 ASN 93 -5.581 6.760 3.118 776 1HD2 ASN 93 HD22 ASN 93 -6.083 10.325 3.417 777 2HD2 ASN 93 HD21 ASN 93 -5.404 9.155 2.391 778 H LEU 94 HN LEU 94 -4.096 4.250 4.480 779 HA LEU 94 HA LEU 94 -6.037 2.833 2.933 780 1HB LEU 94 HB2 LEU 94 -3.441 2.584 3.017 781 2HB LEU 94 HB1 LEU 94 -3.760 1.434 4.315 782 HG LEU 94 HG LEU 94 -5.515 0.456 2.600 783 1HD1 LEU 94 HD12 LEU 94 -5.173 2.274 0.946 784 2HD1 LEU 94 HD11 LEU 94 -3.483 1.796 0.788 785 3HD1 LEU 94 HD13 LEU 94 -4.761 0.696 0.273 786 1HD2 LEU 94 HD22 LEU 94 -3.368 -0.589 3.519 787 2HD2 LEU 94 HD21 LEU 94 -3.876 -1.157 1.929 788 3HD2 LEU 94 HD23 LEU 94 -2.566 0.015 2.069 789 CH2 TRP 95 CH2 TRP 95 -4.611 0.225 13.291 790 H TRP 95 HN TRP 95 -4.813 2.065 6.220 791 HA TRP 95 HA TRP 95 -7.055 0.181 6.565 792 1HB TRP 95 HB2 TRP 95 -5.810 -0.775 8.228 793 2HB TRP 95 HB1 TRP 95 -4.513 -0.008 7.322 794 HD1 TRP 95 HD1 TRP 95 -4.632 2.896 8.257 795 HE1 TRP 95 HE1 TRP 95 -4.132 3.558 10.706 796 HE3 TRP 95 HE3 TRP 95 -5.453 -1.574 10.528 797 HZ2 TRP 95 HZ2 TRP 95 -4.091 2.306 13.304 798 HZ3 TRP 95 HZ3 TRP 95 -5.166 -1.819 12.960 799 HH2 TRP 95 HH2 TRP 95 -4.489 0.107 14.358 800 H GLY 96 HN GLY 96 -6.350 3.439 7.359 801 1HA GLY 96 HA2 GLY 96 -7.663 3.850 9.798 802 2HA GLY 96 HA1 GLY 96 -7.643 5.043 8.502 803 H LEU 97 HN LEU 97 -9.123 3.676 6.542 804 HA LEU 97 HA LEU 97 -11.788 4.275 7.250 805 1HB LEU 97 HB2 LEU 97 -10.741 2.298 5.200 806 2HB LEU 97 HB1 LEU 97 -12.419 2.836 5.296 807 HG LEU 97 HG LEU 97 -10.503 5.054 5.310 808 1HD1 LEU 97 HD13 LEU 97 -10.457 2.986 3.141 809 2HD1 LEU 97 HD12 LEU 97 -10.297 4.685 2.697 810 3HD1 LEU 97 HD11 LEU 97 -9.135 3.949 3.795 811 1HD2 LEU 97 HD22 LEU 97 -13.105 4.272 4.083 812 2HD2 LEU 97 HD21 LEU 97 -12.646 5.776 4.882 813 3HD2 LEU 97 HD23 LEU 97 -12.150 5.476 3.216 814 H ALA 98 HN ALA 98 -10.029 1.205 7.410 815 HA ALA 98 HA ALA 98 -12.148 -0.485 8.196 816 1HB ALA 98 HB1 ALA 98 -9.767 -1.163 7.625 817 2HB ALA 98 HB3 ALA 98 -9.304 -0.621 9.237 818 3HB ALA 98 HB2 ALA 98 -10.436 -1.961 9.049 819 H GLY 99 HN GLY 99 -9.760 1.080 10.342 820 1HA GLY 99 HA2 GLY 99 -10.134 2.130 12.435 821 2HA GLY 99 HA1 GLY 99 -11.853 1.776 12.271 822 H LEU 100 HN LEU 100 -9.552 -0.809 11.833 823 HA LEU 100 HA LEU 100 -10.459 -1.945 14.445 824 1HB LEU 100 HB2 LEU 100 -10.418 -3.036 11.817 825 2HB LEU 100 HB1 LEU 100 -9.194 -3.896 12.753 826 HG LEU 100 HG LEU 100 -11.383 -4.998 12.976 827 1HD1 LEU 100 HD13 LEU 100 -9.705 -4.779 14.916 828 2HD1 LEU 100 HD12 LEU 100 -10.797 -3.557 15.568 829 3HD1 LEU 100 HD11 LEU 100 -11.360 -5.214 15.343 830 1HD2 LEU 100 HD23 LEU 100 -12.297 -2.305 13.083 831 2HD2 LEU 100 HD22 LEU 100 -13.270 -3.776 13.116 832 3HD2 LEU 100 HD21 LEU 100 -12.710 -3.054 14.625 833 H ASN 101 HN ASN 101 -8.821 -3.032 15.742 834 HA ASN 101 HA ASN 101 -6.343 -1.652 15.908 835 1HB ASN 101 HB2 ASN 101 -5.843 -3.078 17.670 836 2HB ASN 101 HB1 ASN 101 -7.589 -3.305 17.588 837 1HD2 ASN 101 HD22 ASN 101 -5.229 -6.476 17.019 838 2HD2 ASN 101 HD21 ASN 101 -4.697 -5.015 17.700 839 H SER 102 HN SER 102 -4.196 -3.124 15.873 840 HA SER 102 HA SER 102 -3.416 -3.426 13.217 841 1HB SER 102 HB2 SER 102 -1.664 -5.069 14.219 842 2HB SER 102 HB1 SER 102 -1.669 -3.399 14.778 843 HG SER 102 HG SER 102 -2.722 -5.708 16.034 844 H CYS 103 HN CYS 103 -2.941 -5.364 11.939 845 HA CYS 103 HA CYS 103 -4.676 -7.700 12.609 846 1HB CYS 103 HB2 CYS 103 -4.588 -7.508 9.799 847 2HB CYS 103 HB1 CYS 103 -5.984 -7.243 10.840 848 HA PRO 104 HA PRO 104 -0.322 -9.044 11.946 849 1HB PRO 104 HB2 PRO 104 -1.179 -11.526 13.176 850 2HB PRO 104 HB1 PRO 104 -0.027 -10.334 13.791 851 1HG PRO 104 HG2 PRO 104 -2.701 -10.809 14.723 852 2HG PRO 104 HG1 PRO 104 -1.567 -9.575 15.288 853 1HD PRO 104 HD2 PRO 104 -3.950 -9.184 13.723 854 2HD PRO 104 HD1 PRO 104 -2.791 -7.952 14.262 855 H VAL 105 HN VAL 105 -0.596 -9.252 9.684 856 HA VAL 105 HA VAL 105 -2.339 -10.930 8.282 857 HB VAL 105 HB VAL 105 -0.852 -9.283 7.199 858 1HG1 VAL 105 HG11 VAL 105 1.132 -10.590 8.699 859 2HG1 VAL 105 HG13 VAL 105 1.497 -10.974 7.017 860 3HG1 VAL 105 HG12 VAL 105 1.375 -9.292 7.531 861 1HG2 VAL 105 HG23 VAL 105 -1.553 -11.822 6.255 862 2HG2 VAL 105 HG22 VAL 105 -1.034 -10.450 5.275 863 3HG2 VAL 105 HG21 VAL 105 0.146 -11.645 5.815 864 H LYS 106 HN LYS 106 -2.476 -13.107 7.965 865 HA LYS 106 HA LYS 106 -0.190 -14.793 8.907 866 1HB LYS 106 HB2 LYS 106 -3.159 -15.110 9.347 867 2HB LYS 106 HB1 LYS 106 -2.067 -16.492 9.443 868 1HG LYS 106 HG2 LYS 106 -0.938 -15.635 11.306 869 2HG LYS 106 HG1 LYS 106 -1.450 -13.980 10.975 870 1HD LYS 106 HD2 LYS 106 -3.058 -14.331 12.529 871 2HD LYS 106 HD1 LYS 106 -3.852 -15.319 11.303 872 1HE LYS 106 HE2 LYS 106 -3.658 -17.027 12.774 873 2HE LYS 106 HE1 LYS 106 -1.948 -17.040 12.343 874 1HZ LYS 106 HZ1 LYS 106 -1.979 -15.081 14.128 875 2HZ LYS 106 HZ3 LYS 106 -3.254 -16.023 14.732 876 3HZ LYS 106 HZ2 LYS 106 -1.710 -16.707 14.542 877 H GLU 107 HN GLU 107 -3.278 -15.570 7.320 878 HA GLU 107 HA GLU 107 -2.208 -17.493 5.552 879 1HB GLU 107 HB2 GLU 107 -4.577 -17.427 5.842 880 2HB GLU 107 HB1 GLU 107 -4.659 -15.731 5.360 881 1HG GLU 107 HG2 GLU 107 -4.291 -16.221 3.096 882 2HG GLU 107 HG1 GLU 107 -3.574 -17.792 3.456 883 H ALA 108 HN ALA 108 -0.329 -16.771 4.502 884 HA ALA 108 HA ALA 108 -0.682 -15.339 2.046 885 1HB ALA 108 HB1 ALA 108 0.301 -13.804 4.433 886 2HB ALA 108 HB3 ALA 108 0.944 -13.425 2.836 887 3HB ALA 108 HB2 ALA 108 -0.787 -13.284 3.146 888 H ASP 109 HN ASP 109 0.965 -15.997 0.728 889 HA ASP 109 HA ASP 109 3.250 -17.402 1.987 890 1HB ASP 109 HB2 ASP 109 2.687 -17.163 -0.971 891 2HB ASP 109 HB1 ASP 109 3.619 -18.406 -0.136 892 H GLN 110 HN GLN 110 5.188 -17.035 0.003 893 HA GLN 110 HA GLN 110 5.876 -14.174 0.465 894 1HB GLN 110 HB2 GLN 110 7.378 -16.528 0.717 895 2HB GLN 110 HB1 GLN 110 7.971 -15.779 -0.765 896 1HG GLN 110 HG2 GLN 110 9.291 -14.760 0.884 897 2HG GLN 110 HG1 GLN 110 8.002 -13.583 0.637 898 1HE2 GLN 110 HE22 GLN 110 8.245 -14.078 4.306 899 2HE2 GLN 110 HE21 GLN 110 9.226 -13.422 3.085 900 H SER 111 HN SER 111 4.647 -13.256 -1.253 901 HA SER 111 HA SER 111 5.221 -14.223 -3.995 902 1HB SER 111 HB2 SER 111 3.579 -12.333 -4.588 903 2HB SER 111 HB1 SER 111 2.915 -13.694 -3.686 904 HG SER 111 HG SER 111 2.347 -11.609 -2.829 905 H THR 112 HN THR 112 5.439 -12.086 -5.547 906 HA THR 112 HA THR 112 7.826 -10.708 -4.442 907 HB THR 112 HB THR 112 8.205 -10.030 -6.830 908 HG1 THR 112 HG1 THR 112 6.436 -10.159 -7.961 909 1HG2 THR 112 HG23 THR 112 7.974 -12.892 -5.946 910 2HG2 THR 112 HG22 THR 112 8.501 -12.525 -7.589 911 3HG2 THR 112 HG21 THR 112 9.424 -11.925 -6.211 912 H LEU 113 HN LEU 113 7.748 -8.583 -3.919 913 HA LEU 113 HA LEU 113 5.366 -7.186 -3.537 914 1HB LEU 113 HB2 LEU 113 7.641 -6.587 -2.620 915 2HB LEU 113 HB1 LEU 113 8.004 -5.857 -4.184 916 HG LEU 113 HG LEU 113 5.414 -5.054 -3.007 917 1HD1 LEU 113 HD13 LEU 113 6.824 -5.153 -0.982 918 2HD1 LEU 113 HD12 LEU 113 8.041 -4.157 -1.781 919 3HD1 LEU 113 HD11 LEU 113 6.452 -3.484 -1.414 920 1HD2 LEU 113 HD23 LEU 113 7.560 -4.006 -4.729 921 2HD2 LEU 113 HD22 LEU 113 5.834 -3.648 -4.742 922 3HD2 LEU 113 HD21 LEU 113 6.898 -2.809 -3.616 923 H GLU 114 HN GLU 114 7.167 -7.533 -6.515 924 HA GLU 114 HA GLU 114 6.161 -5.273 -7.915 925 1HB GLU 114 HB2 GLU 114 7.729 -7.513 -8.531 926 2HB GLU 114 HB1 GLU 114 6.333 -7.632 -9.603 927 1HG GLU 114 HG2 GLU 114 6.876 -5.723 -10.747 928 2HG GLU 114 HG1 GLU 114 7.542 -4.932 -9.318 929 H ASN 115 HN ASN 115 4.902 -8.619 -7.883 930 HA ASN 115 HA ASN 115 2.493 -7.922 -9.315 931 1HB ASN 115 HB2 ASN 115 3.756 -10.278 -8.637 932 2HB ASN 115 HB1 ASN 115 2.334 -10.297 -7.594 933 1HD2 ASN 115 HD22 ASN 115 0.051 -10.198 -10.451 934 2HD2 ASN 115 HD21 ASN 115 0.238 -9.463 -8.932 935 H PHE 116 HN PHE 116 3.362 -7.947 -5.915 936 HA PHE 116 HA PHE 116 0.719 -8.010 -4.825 937 1HB PHE 116 HB2 PHE 116 2.493 -8.336 -3.289 938 2HB PHE 116 HB1 PHE 116 3.351 -6.902 -3.844 939 HD1 PHE 116 HD1 PHE 116 0.331 -8.070 -2.002 940 HD2 PHE 116 HD2 PHE 116 2.900 -4.753 -2.925 941 HE1 PHE 116 HE1 PHE 116 -0.779 -6.719 -0.243 942 HE2 PHE 116 HE2 PHE 116 1.789 -3.402 -1.168 943 HZ PHE 116 HZ PHE 116 -0.050 -4.387 0.174 944 H LEU 117 HN LEU 117 2.823 -5.119 -5.138 945 HA LEU 117 HA LEU 117 0.779 -3.220 -4.727 946 1HB LEU 117 HB2 LEU 117 3.511 -3.208 -5.783 947 2HB LEU 117 HB1 LEU 117 2.483 -1.991 -6.543 948 HG LEU 117 HG LEU 117 2.523 -2.347 -3.547 949 1HD1 LEU 117 HD13 LEU 117 4.756 -1.606 -5.077 950 2HD1 LEU 117 HD12 LEU 117 4.071 -0.083 -4.507 951 3HD1 LEU 117 HD11 LEU 117 4.527 -1.334 -3.348 952 1HD2 LEU 117 HD23 LEU 117 0.774 -0.990 -4.940 953 2HD2 LEU 117 HD22 LEU 117 1.488 -0.239 -3.514 954 3HD2 LEU 117 HD21 LEU 117 2.078 0.182 -5.121 955 H GLU 118 HN GLU 118 1.669 -5.039 -7.600 956 HA GLU 118 HA GLU 118 0.320 -3.540 -9.577 957 1HB GLU 118 HB2 GLU 118 1.754 -5.549 -10.003 958 2HB GLU 118 HB1 GLU 118 0.449 -6.563 -9.389 959 1HG GLU 118 HG2 GLU 118 0.246 -6.514 -11.790 960 2HG GLU 118 HG1 GLU 118 -1.057 -5.524 -11.135 961 NH1 ARG 119 NH2 ARG 119 -3.946 -12.313 -7.794 962 NH2 ARG 119 NH1 ARG 119 -5.360 -11.697 -9.446 963 H ARG 119 HN ARG 119 -0.979 -6.278 -7.670 964 HA ARG 119 HA ARG 119 -3.686 -5.869 -8.606 965 1HB ARG 119 HB2 ARG 119 -2.906 -7.271 -6.043 966 2HB ARG 119 HB1 ARG 119 -4.311 -7.574 -7.065 967 1HG ARG 119 HG2 ARG 119 -2.591 -8.151 -8.911 968 2HG ARG 119 HG1 ARG 119 -1.424 -8.260 -7.593 969 1HD ARG 119 HD2 ARG 119 -2.160 -10.439 -7.562 970 2HD ARG 119 HD1 ARG 119 -3.389 -9.734 -6.513 971 HE ARG 119 HE ARG 119 -4.426 -9.458 -9.079 972 1HH1 ARG 119 HH21 ARG 119 -3.246 -12.093 -7.118 973 2HH1 ARG 119 HH22 ARG 119 -4.277 -13.254 -7.877 974 1HH2 ARG 119 HH11 ARG 119 -5.747 -10.994 -10.043 975 2HH2 ARG 119 HH12 ARG 119 -5.676 -12.644 -9.518 976 H LEU 120 HN LEU 120 -1.794 -4.243 -6.201 977 HA LEU 120 HA LEU 120 -4.022 -3.528 -4.484 978 1HB LEU 120 HB2 LEU 120 -1.187 -3.018 -4.578 979 2HB LEU 120 HB1 LEU 120 -2.051 -1.497 -4.347 980 HG LEU 120 HG LEU 120 -3.441 -2.964 -2.612 981 1HD1 LEU 120 HD13 LEU 120 -0.720 -4.300 -2.717 982 2HD1 LEU 120 HD12 LEU 120 -1.923 -4.552 -1.452 983 3HD1 LEU 120 HD11 LEU 120 -2.265 -5.057 -3.107 984 1HD2 LEU 120 HD23 LEU 120 -1.859 -0.911 -2.304 985 2HD2 LEU 120 HD22 LEU 120 -2.192 -1.931 -0.904 986 3HD2 LEU 120 HD21 LEU 120 -0.673 -2.106 -1.781 987 H LYS 121 HN LYS 121 -2.431 -2.049 -7.282 988 HA LYS 121 HA LYS 121 -4.080 0.349 -7.221 989 1HB LYS 121 HB2 LYS 121 -1.733 -0.348 -8.467 990 2HB LYS 121 HB1 LYS 121 -2.886 -0.430 -9.799 991 1HG LYS 121 HG2 LYS 121 -3.681 1.853 -9.223 992 2HG LYS 121 HG1 LYS 121 -2.463 1.935 -7.949 993 1HD LYS 121 HD2 LYS 121 -1.642 3.045 -9.982 994 2HD LYS 121 HD1 LYS 121 -0.686 1.601 -9.643 995 1HE LYS 121 HE2 LYS 121 -1.796 0.345 -11.339 996 2HE LYS 121 HE1 LYS 121 -3.069 1.556 -11.504 997 1HZ LYS 121 HZ3 LYS 121 -1.295 3.130 -12.226 998 2HZ LYS 121 HZ2 LYS 121 -0.218 1.818 -12.276 999 3HZ LYS 121 HZ1 LYS 121 -1.574 1.846 -13.299 1000 H THR 122 HN THR 122 -3.958 -2.501 -9.348 1001 HA THR 122 HA THR 122 -6.174 -1.931 -10.976 1002 HB THR 122 HB THR 122 -6.335 -4.704 -10.487 1003 HG1 THR 122 HG1 THR 122 -3.766 -4.671 -10.944 1004 1HG2 THR 122 HG22 THR 122 -6.373 -3.451 -12.663 1005 2HG2 THR 122 HG21 THR 122 -4.625 -3.263 -12.527 1006 3HG2 THR 122 HG23 THR 122 -5.329 -4.872 -12.681 1007 H ILE 123 HN ILE 123 -6.189 -3.823 -7.965 1008 HA ILE 123 HA ILE 123 -9.002 -4.167 -7.799 1009 HB ILE 123 HB ILE 123 -6.977 -3.946 -5.552 1010 1HG1 ILE 123 HG12 ILE 123 -6.618 -5.729 -7.348 1011 2HG1 ILE 123 HG11 ILE 123 -6.780 -6.329 -5.698 1012 1HG2 ILE 123 HG23 ILE 123 -9.853 -4.852 -5.671 1013 2HG2 ILE 123 HG22 ILE 123 -8.759 -5.438 -4.419 1014 3HG2 ILE 123 HG21 ILE 123 -9.108 -3.714 -4.550 1015 1HD1 ILE 123 HD13 ILE 123 -9.080 -6.152 -7.663 1016 2HD1 ILE 123 HD12 ILE 123 -8.136 -7.615 -7.382 1017 3HD1 ILE 123 HD11 ILE 123 -9.098 -6.922 -6.077 1018 H MET 124 HN MET 124 -6.913 -1.511 -6.771 1019 HA MET 124 HA MET 124 -8.784 -0.100 -5.175 1020 1HB MET 124 HB2 MET 124 -6.201 0.356 -6.073 1021 2HB MET 124 HB1 MET 124 -7.127 1.644 -6.840 1022 1HG MET 124 HG2 MET 124 -6.595 2.597 -4.781 1023 2HG MET 124 HG1 MET 124 -8.192 1.924 -4.468 1024 1HE MET 124 HE2 MET 124 -5.467 2.823 -3.158 1025 2HE MET 124 HE1 MET 124 -6.238 2.300 -1.663 1026 3HE MET 124 HE3 MET 124 -4.674 1.627 -2.136 1027 NH1 ARG 125 NH2 ARG 125 -6.861 4.264 -14.335 1028 NH2 ARG 125 NH1 ARG 125 -7.232 2.171 -15.095 1029 H ARG 125 HN ARG 125 -7.927 0.882 -8.497 1030 HA ARG 125 HA ARG 125 -10.208 2.497 -8.891 1031 1HB ARG 125 HB2 ARG 125 -7.976 1.789 -10.380 1032 2HB ARG 125 HB1 ARG 125 -9.325 1.179 -11.339 1033 1HG ARG 125 HG2 ARG 125 -10.302 3.312 -11.551 1034 2HG ARG 125 HG1 ARG 125 -9.393 3.962 -10.185 1035 1HD ARG 125 HD2 ARG 125 -8.535 4.729 -12.422 1036 2HD ARG 125 HD1 ARG 125 -7.327 3.896 -11.445 1037 HE ARG 125 HE ARG 125 -8.452 1.882 -12.988 1038 1HH1 ARG 125 HH21 ARG 125 -6.969 4.971 -13.639 1039 2HH1 ARG 125 HH22 ARG 125 -6.348 4.464 -15.170 1040 1HH2 ARG 125 HH11 ARG 125 -7.630 1.260 -14.977 1041 2HH2 ARG 125 HH12 ARG 125 -6.716 2.387 -15.923 1042 H GLU 126 HN GLU 126 -10.020 -0.967 -8.910 1043 HA GLU 126 HA GLU 126 -12.277 -1.412 -10.660 1044 1HB GLU 126 HB2 GLU 126 -10.365 -3.004 -9.345 1045 2HB GLU 126 HB1 GLU 126 -11.926 -3.516 -8.706 1046 1HG GLU 126 HG2 GLU 126 -12.743 -3.617 -11.116 1047 2HG GLU 126 HG1 GLU 126 -11.058 -3.420 -11.602 1048 H LYS 127 HN LYS 127 -12.054 -1.894 -7.106 1049 HA LYS 127 HA LYS 127 -14.993 -1.734 -6.955 1050 1HB LYS 127 HB2 LYS 127 -12.925 -2.281 -4.812 1051 2HB LYS 127 HB1 LYS 127 -14.671 -2.410 -4.604 1052 1HG LYS 127 HG2 LYS 127 -14.317 -3.937 -6.834 1053 2HG LYS 127 HG1 LYS 127 -12.796 -4.233 -5.988 1054 1HD LYS 127 HD2 LYS 127 -15.576 -4.573 -4.820 1055 2HD LYS 127 HD1 LYS 127 -14.485 -5.876 -5.293 1056 1HE LYS 127 HE2 LYS 127 -12.865 -5.193 -3.607 1057 2HE LYS 127 HE1 LYS 127 -13.843 -3.788 -3.188 1058 1HZ LYS 127 HZ3 LYS 127 -15.380 -6.171 -3.081 1059 2HZ LYS 127 HZ2 LYS 127 -14.009 -6.300 -2.085 1060 3HZ LYS 127 HZ1 LYS 127 -15.104 -5.018 -1.869 1061 OH TYR 128 OH TYR 128 -8.865 1.574 -1.398 1062 H TYR 128 HN TYR 128 -12.745 0.660 -7.040 1063 HA TYR 128 HA TYR 128 -13.767 2.158 -4.712 1064 1HB TYR 128 HB2 TYR 128 -11.636 2.627 -6.768 1065 2HB TYR 128 HB1 TYR 128 -12.286 4.002 -5.877 1066 HD1 TYR 128 HD1 TYR 128 -11.620 0.456 -4.847 1067 HD2 TYR 128 HD2 TYR 128 -10.737 4.612 -4.233 1068 HE1 TYR 128 HE1 TYR 128 -10.194 -0.133 -2.917 1069 HE2 TYR 128 HE2 TYR 128 -9.313 4.021 -2.292 1070 HH TYR 128 HH TYR 128 -8.956 2.267 -0.740 1071 H SER 129 HN SER 129 -14.209 2.023 -8.189 1072 HA SER 129 HA SER 129 -15.550 4.543 -8.490 1073 1HB SER 129 HB2 SER 129 -16.276 3.708 -10.624 1074 2HB SER 129 HB1 SER 129 -14.655 3.071 -10.355 1075 HG SER 129 HG SER 129 -16.691 1.667 -10.956 1076 H LYS 130 HN LYS 130 -16.595 1.412 -7.311 1077 HA LYS 130 HA LYS 130 -19.428 2.309 -7.326 1078 1HB LYS 130 HB2 LYS 130 -18.128 -0.221 -7.583 1079 2HB LYS 130 HB1 LYS 130 -19.097 -0.260 -6.110 1080 1HG LYS 130 HG2 LYS 130 -21.060 -0.183 -7.252 1081 2HG LYS 130 HG1 LYS 130 -20.449 0.999 -8.407 1082 1HD LYS 130 HD2 LYS 130 -20.917 -1.120 -9.549 1083 2HD LYS 130 HD1 LYS 130 -19.183 -0.801 -9.556 1084 1HE LYS 130 HE2 LYS 130 -18.962 -2.884 -8.696 1085 2HE LYS 130 HE1 LYS 130 -19.539 -2.186 -7.185 1086 1HZ LYS 130 HZ3 LYS 130 -21.845 -2.605 -8.388 1087 2HZ LYS 130 HZ2 LYS 130 -20.945 -3.841 -9.127 1088 3HZ LYS 130 HZ1 LYS 130 -21.091 -3.788 -7.435 1089 H CYS 131 HN CYS 131 -17.319 3.437 -5.512 1090 HA CYS 131 HA CYS 131 -17.516 2.434 -2.877 1091 1HB CYS 131 HB2 CYS 131 -16.649 4.894 -4.154 1092 2HB CYS 131 HB1 CYS 131 -17.481 5.236 -2.636 1093 H SER 132 HN SER 132 -19.708 4.504 -4.716 1094 HA SER 132 HA SER 132 -21.472 4.915 -2.404 1095 1HB SER 132 HB2 SER 132 -22.037 6.697 -3.662 1096 2HB SER 132 HB1 SER 132 -21.141 6.058 -5.038 1097 HG SER 132 HG SER 132 -22.962 5.442 -5.875 1098 H SER 133 HN SER 133 -23.910 4.389 -2.847 1099 HA SER 133 HA SER 133 -24.042 1.507 -3.429 1100 1HB SER 133 HB2 SER 133 -25.424 3.249 -1.713 1101 2HB SER 133 HB1 SER 133 -26.607 2.775 -2.928 1102 HG SER 133 HG SER 133 -26.591 1.240 -1.298 Start of MODEL 8 Raw file had 1102 H/Q atoms Start of MODEL 8 1 1H GLU 1 HT2 GLU 1 -20.215 13.181 8.453 2 2H GLU 1 HT1 GLU 1 -18.656 13.798 8.184 3 3H GLU 1 HT3 GLU 1 -19.356 12.744 7.054 4 HA GLU 1 HA GLU 1 -18.682 10.944 8.139 5 1HB GLU 1 HB2 GLU 1 -16.860 12.910 8.568 6 2HB GLU 1 HB1 GLU 1 -17.251 12.484 10.234 7 1HG GLU 1 HG2 GLU 1 -17.006 10.036 8.852 8 2HG GLU 1 HG1 GLU 1 -15.647 11.026 8.322 9 H ALA 2 HN ALA 2 -20.723 10.282 9.021 10 HA ALA 2 HA ALA 2 -20.761 10.085 11.909 11 1HB ALA 2 HB2 ALA 2 -22.146 12.314 10.670 12 2HB ALA 2 HB1 ALA 2 -23.285 11.251 11.500 13 3HB ALA 2 HB3 ALA 2 -21.930 11.954 12.383 14 H GLU 3 HN GLU 3 -23.442 10.288 9.556 15 HA GLU 3 HA GLU 3 -24.113 7.471 10.249 16 1HB GLU 3 HB2 GLU 3 -25.833 9.305 8.587 17 2HB GLU 3 HB1 GLU 3 -26.325 7.942 9.594 18 1HG GLU 3 HG2 GLU 3 -25.568 9.238 11.608 19 2HG GLU 3 HG1 GLU 3 -25.283 10.622 10.551 20 H ALA 4 HN ALA 4 -21.899 8.137 8.447 21 HA ALA 4 HA ALA 4 -22.509 6.304 6.313 22 1HB ALA 4 HB3 ALA 4 -23.605 8.649 5.700 23 2HB ALA 4 HB2 ALA 4 -21.953 9.037 5.225 24 3HB ALA 4 HB1 ALA 4 -22.792 7.682 4.469 25 H HIS 5 HN HIS 5 -20.606 6.138 4.787 26 HA HIS 5 HA HIS 5 -18.120 6.555 6.318 27 1HB HIS 5 HB2 HIS 5 -18.890 4.994 3.868 28 2HB HIS 5 HB1 HIS 5 -17.190 5.331 4.189 29 HD1 HIS 5 HD1 HIS 5 -16.849 4.948 7.101 30 HD2 HIS 5 HD2 HIS 5 -19.388 2.486 4.895 31 HE1 HIS 5 HE1 HIS 5 -17.127 2.818 8.444 32 H LYS 6 HN LYS 6 -16.189 7.019 4.522 33 HA LYS 6 HA LYS 6 -17.033 9.482 3.053 34 1HB LYS 6 HB2 LYS 6 -14.847 9.089 5.054 35 2HB LYS 6 HB1 LYS 6 -14.535 10.168 3.695 36 1HG LYS 6 HG2 LYS 6 -16.665 11.375 4.238 37 2HG LYS 6 HG1 LYS 6 -16.814 10.373 5.682 38 1HD LYS 6 HD2 LYS 6 -15.757 12.508 6.258 39 2HD LYS 6 HD1 LYS 6 -14.598 11.193 6.452 40 1HE LYS 6 HE2 LYS 6 -13.492 11.730 4.409 41 2HE LYS 6 HE1 LYS 6 -14.799 12.799 3.899 42 1HZ LYS 6 HZ2 LYS 6 -14.078 13.845 6.275 43 2HZ LYS 6 HZ1 LYS 6 -12.583 13.315 5.666 44 3HZ LYS 6 HZ3 LYS 6 -13.528 14.399 4.766 45 H CYS 7 HN CYS 7 -16.865 7.036 1.780 46 HA CYS 7 HA CYS 7 -14.288 6.420 0.687 47 1HB CYS 7 HB2 CYS 7 -15.866 4.724 0.370 48 2HB CYS 7 HB1 CYS 7 -17.130 5.854 -0.109 49 H ASP 8 HN ASP 8 -16.665 8.859 -0.096 50 HA ASP 8 HA ASP 8 -16.025 9.478 -2.747 51 1HB ASP 8 HB2 ASP 8 -17.219 10.885 -0.475 52 2HB ASP 8 HB1 ASP 8 -16.396 11.965 -1.602 53 H ILE 9 HN ILE 9 -14.737 11.474 -0.074 54 HA ILE 9 HA ILE 9 -12.450 12.164 -1.798 55 HB ILE 9 HB ILE 9 -13.443 13.184 0.860 56 1HG1 ILE 9 HG12 ILE 9 -12.865 14.987 -1.403 57 2HG1 ILE 9 HG11 ILE 9 -14.129 13.800 -1.729 58 1HG2 ILE 9 HG23 ILE 9 -10.768 13.445 -0.422 59 2HG2 ILE 9 HG22 ILE 9 -11.478 14.921 0.233 60 3HG2 ILE 9 HG21 ILE 9 -11.210 13.530 1.283 61 1HD1 ILE 9 HD12 ILE 9 -14.370 15.004 0.929 62 2HD1 ILE 9 HD11 ILE 9 -14.480 16.192 -0.370 63 3HD1 ILE 9 HD13 ILE 9 -15.588 14.820 -0.334 64 H THR 10 HN THR 10 -12.977 10.343 1.215 65 HA THR 10 HA THR 10 -10.231 10.201 1.977 66 HB THR 10 HB THR 10 -12.282 8.022 2.427 67 HG1 THR 10 HG1 THR 10 -11.731 10.347 3.958 68 1HG2 THR 10 HG22 THR 10 -9.554 8.570 3.333 69 2HG2 THR 10 HG21 THR 10 -10.680 8.331 4.669 70 3HG2 THR 10 HG23 THR 10 -10.493 7.082 3.438 71 H LEU 11 HN LEU 11 -12.084 7.528 0.466 72 HA LEU 11 HA LEU 11 -9.711 6.111 -0.282 73 1HB LEU 11 HB2 LEU 11 -12.611 5.838 -0.739 74 2HB LEU 11 HB1 LEU 11 -11.595 5.139 -2.002 75 HG LEU 11 HG LEU 11 -10.256 4.047 -0.106 76 1HD1 LEU 11 HD13 LEU 11 -12.159 5.574 1.411 77 2HD1 LEU 11 HD12 LEU 11 -12.409 3.859 1.739 78 3HD1 LEU 11 HD11 LEU 11 -10.824 4.585 2.003 79 1HD2 LEU 11 HD21 LEU 11 -12.133 3.027 -1.613 80 2HD2 LEU 11 HD23 LEU 11 -11.626 2.142 -0.175 81 3HD2 LEU 11 HD22 LEU 11 -13.112 3.093 -0.148 82 H GLN 12 HN GLN 12 -11.223 8.840 -1.772 83 HA GLN 12 HA GLN 12 -10.351 8.262 -4.489 84 1HB GLN 12 HB2 GLN 12 -12.127 9.847 -4.273 85 2HB GLN 12 HB1 GLN 12 -11.236 10.791 -3.078 86 1HG GLN 12 HG2 GLN 12 -10.040 11.896 -4.663 87 2HG GLN 12 HG1 GLN 12 -9.829 10.448 -5.646 88 1HE2 GLN 12 HE22 GLN 12 -13.068 12.876 -6.312 89 2HE2 GLN 12 HE21 GLN 12 -12.171 13.045 -4.881 90 H GLU 13 HN GLU 13 -9.185 10.620 -2.077 91 HA GLU 13 HA GLU 13 -6.762 11.256 -3.432 92 1HB GLU 13 HB2 GLU 13 -8.018 12.157 -1.164 93 2HB GLU 13 HB1 GLU 13 -6.651 11.275 -0.480 94 1HG GLU 13 HG2 GLU 13 -5.860 13.495 -0.836 95 2HG GLU 13 HG1 GLU 13 -5.186 12.537 -2.157 96 H ILE 14 HN ILE 14 -7.677 8.628 -1.298 97 HA ILE 14 HA ILE 14 -5.021 7.663 -0.747 98 HB ILE 14 HB ILE 14 -7.752 6.890 -0.189 99 1HG1 ILE 14 HG12 ILE 14 -5.551 5.480 1.166 100 2HG1 ILE 14 HG11 ILE 14 -5.389 7.237 1.165 101 1HG2 ILE 14 HG22 ILE 14 -5.877 4.662 -1.057 102 2HG2 ILE 14 HG21 ILE 14 -7.381 4.423 -0.172 103 3HG2 ILE 14 HG23 ILE 14 -7.419 5.085 -1.805 104 1HD1 ILE 14 HD13 ILE 14 -8.126 6.405 1.721 105 2HD1 ILE 14 HD12 ILE 14 -6.988 5.739 2.890 106 3HD1 ILE 14 HD11 ILE 14 -7.077 7.482 2.642 107 H ILE 15 HN ILE 15 -7.345 7.148 -3.330 108 HA ILE 15 HA ILE 15 -6.081 4.894 -4.556 109 HB ILE 15 HB ILE 15 -8.077 6.959 -5.349 110 1HG1 ILE 15 HG12 ILE 15 -8.298 4.105 -6.128 111 2HG1 ILE 15 HG11 ILE 15 -8.229 4.418 -4.392 112 1HG2 ILE 15 HG21 ILE 15 -6.406 5.365 -7.288 113 2HG2 ILE 15 HG23 ILE 15 -8.044 5.882 -7.689 114 3HG2 ILE 15 HG22 ILE 15 -6.803 7.083 -7.335 115 1HD1 ILE 15 HD12 ILE 15 -9.976 6.360 -5.228 116 2HD1 ILE 15 HD11 ILE 15 -10.361 5.041 -6.333 117 3HD1 ILE 15 HD13 ILE 15 -10.464 4.791 -4.590 118 H LYS 16 HN LYS 16 -5.886 8.383 -5.373 119 HA LYS 16 HA LYS 16 -3.915 8.113 -7.404 120 1HB LYS 16 HB2 LYS 16 -4.234 10.449 -5.496 121 2HB LYS 16 HB1 LYS 16 -3.502 10.490 -7.101 122 1HG LYS 16 HG2 LYS 16 -5.844 9.494 -7.840 123 2HG LYS 16 HG1 LYS 16 -6.391 10.250 -6.342 124 1HD LYS 16 HD2 LYS 16 -4.643 11.897 -8.097 125 2HD LYS 16 HD1 LYS 16 -6.279 11.588 -8.679 126 1HE LYS 16 HE2 LYS 16 -6.606 12.201 -5.969 127 2HE LYS 16 HE1 LYS 16 -5.394 13.347 -6.538 128 1HZ LYS 16 HZ1 LYS 16 -7.766 12.869 -8.194 129 2HZ LYS 16 HZ3 LYS 16 -7.930 13.838 -6.811 130 3HZ LYS 16 HZ2 LYS 16 -6.828 14.276 -8.028 131 H THR 17 HN THR 17 -3.586 8.491 -3.898 132 HA THR 17 HA THR 17 -0.766 8.835 -3.786 133 HB THR 17 HB THR 17 -2.385 7.276 -1.763 134 HG1 THR 17 HG1 THR 17 -2.337 10.019 -2.384 135 1HG2 THR 17 HG22 THR 17 0.157 8.862 -1.780 136 2HG2 THR 17 HG21 THR 17 -0.783 8.757 -0.293 137 3HG2 THR 17 HG23 THR 17 -0.167 7.289 -1.054 138 H LEU 18 HN LEU 18 -2.749 5.893 -3.905 139 HA LEU 18 HA LEU 18 -0.702 3.992 -3.489 140 1HB LEU 18 HB2 LEU 18 -3.282 3.697 -3.814 141 2HB LEU 18 HB1 LEU 18 -2.855 3.493 -5.512 142 HG LEU 18 HG LEU 18 -0.978 1.946 -4.154 143 1HD1 LEU 18 HD13 LEU 18 -3.074 2.335 -2.366 144 2HD1 LEU 18 HD12 LEU 18 -3.418 0.766 -3.092 145 3HD1 LEU 18 HD11 LEU 18 -1.872 1.050 -2.293 146 1HD2 LEU 18 HD21 LEU 18 -3.214 1.606 -5.980 147 2HD2 LEU 18 HD23 LEU 18 -1.667 0.763 -5.944 148 3HD2 LEU 18 HD22 LEU 18 -3.004 0.197 -4.942 149 H ASN 19 HN ASN 19 -1.913 5.380 -6.552 150 HA ASN 19 HA ASN 19 -0.078 4.057 -8.275 151 1HB ASN 19 HB2 ASN 19 -1.188 6.859 -8.622 152 2HB ASN 19 HB1 ASN 19 -0.583 5.802 -9.897 153 1HD2 ASN 19 HD22 ASN 19 -3.603 3.998 -10.188 154 2HD2 ASN 19 HD21 ASN 19 -2.016 4.219 -10.747 155 H SER 20 HN SER 20 0.324 6.843 -6.183 156 HA SER 20 HA SER 20 2.713 7.899 -7.350 157 1HB SER 20 HB2 SER 20 2.083 7.949 -4.396 158 2HB SER 20 HB1 SER 20 2.957 9.149 -5.344 159 HG SER 20 HG SER 20 1.034 9.656 -6.391 160 H LEU 21 HN LEU 21 2.194 5.364 -4.902 161 HA LEU 21 HA LEU 21 4.992 5.032 -4.291 162 1HB LEU 21 HB2 LEU 21 2.676 3.093 -4.030 163 2HB LEU 21 HB1 LEU 21 4.281 2.830 -3.349 164 HG LEU 21 HG LEU 21 3.595 5.408 -2.520 165 1HD1 LEU 21 HD12 LEU 21 1.234 4.588 -3.305 166 2HD1 LEU 21 HD11 LEU 21 1.275 3.626 -1.827 167 3HD1 LEU 21 HD13 LEU 21 1.389 5.384 -1.739 168 1HD2 LEU 21 HD21 LEU 21 4.807 3.644 -1.246 169 2HD2 LEU 21 HD23 LEU 21 3.513 4.373 -0.296 170 3HD2 LEU 21 HD22 LEU 21 3.283 2.784 -1.025 171 H THR 22 HN THR 22 2.998 3.911 -6.927 172 HA THR 22 HA THR 22 4.612 1.672 -7.722 173 HB THR 22 HB THR 22 2.217 2.645 -8.530 174 HG1 THR 22 HG1 THR 22 3.162 1.291 -10.579 175 1HG2 THR 22 HG22 THR 22 3.507 4.506 -9.723 176 2HG2 THR 22 HG21 THR 22 4.064 3.259 -10.841 177 3HG2 THR 22 HG23 THR 22 2.342 3.614 -10.701 178 H GLU 23 HN GLU 23 5.244 5.050 -7.872 179 HA GLU 23 HA GLU 23 6.680 5.353 -10.262 180 1HB GLU 23 HB2 GLU 23 6.183 7.138 -8.520 181 2HB GLU 23 HB1 GLU 23 7.560 6.514 -7.609 182 1HG GLU 23 HG2 GLU 23 9.098 7.093 -9.318 183 2HG GLU 23 HG1 GLU 23 7.817 7.302 -10.512 184 H GLN 24 HN GLN 24 7.622 3.687 -7.313 185 HA GLN 24 HA GLN 24 10.327 3.186 -8.467 186 1HB GLN 24 HB2 GLN 24 9.181 3.125 -5.698 187 2HB GLN 24 HB1 GLN 24 10.557 2.084 -6.064 188 1HG GLN 24 HG2 GLN 24 11.208 4.554 -7.218 189 2HG GLN 24 HG1 GLN 24 10.497 4.960 -5.655 190 1HE2 GLN 24 HE22 GLN 24 13.393 4.004 -3.914 191 2HE2 GLN 24 HE21 GLN 24 11.971 4.931 -3.958 192 H LYS 25 HN LYS 25 8.900 1.776 -10.010 193 HA LYS 25 HA LYS 25 8.441 -0.901 -8.769 194 1HB LYS 25 HB2 LYS 25 6.511 0.245 -9.940 195 2HB LYS 25 HB1 LYS 25 7.420 0.084 -11.442 196 1HG LYS 25 HG2 LYS 25 7.530 -2.375 -11.083 197 2HG LYS 25 HG1 LYS 25 6.541 -2.186 -9.636 198 1HD LYS 25 HD2 LYS 25 5.068 -0.812 -11.506 199 2HD LYS 25 HD1 LYS 25 5.746 -2.123 -12.471 200 1HE LYS 25 HE2 LYS 25 3.562 -2.734 -11.430 201 2HE LYS 25 HE1 LYS 25 4.881 -3.780 -10.902 202 1HZ LYS 25 HZ3 LYS 25 4.654 -1.478 -9.246 203 2HZ LYS 25 HZ2 LYS 25 3.187 -2.332 -9.298 204 3HZ LYS 25 HZ1 LYS 25 4.615 -3.119 -8.816 205 H THR 26 HN THR 26 11.024 -0.712 -9.077 206 HA THR 26 HA THR 26 11.632 -2.501 -11.302 207 HB THR 26 HB THR 26 12.909 0.251 -11.263 208 HG1 THR 26 HG1 THR 26 11.084 0.633 -12.267 209 1HG2 THR 26 HG23 THR 26 13.242 -2.151 -13.081 210 2HG2 THR 26 HG22 THR 26 13.901 -0.550 -13.420 211 3HG2 THR 26 HG21 THR 26 14.464 -1.456 -12.016 212 H LEU 27 HN LEU 27 13.456 -0.147 -9.307 213 HA LEU 27 HA LEU 27 15.383 -2.276 -8.631 214 1HB LEU 27 HB2 LEU 27 15.573 0.484 -9.013 215 2HB LEU 27 HB1 LEU 27 15.770 0.275 -7.273 216 HG LEU 27 HG LEU 27 17.957 0.109 -8.302 217 1HD1 LEU 27 HD13 LEU 27 17.058 -1.643 -6.531 218 2HD1 LEU 27 HD12 LEU 27 17.270 -2.776 -7.866 219 3HD1 LEU 27 HD11 LEU 27 18.648 -1.852 -7.266 220 1HD2 LEU 27 HD21 LEU 27 16.684 -0.768 -10.518 221 2HD2 LEU 27 HD23 LEU 27 18.406 -1.032 -10.244 222 3HD2 LEU 27 HD22 LEU 27 17.249 -2.314 -9.882 223 H CYS 28 HN CYS 28 12.932 -0.287 -7.017 224 HA CYS 28 HA CYS 28 13.609 -1.475 -4.407 225 1HB CYS 28 HB2 CYS 28 11.864 0.729 -5.370 226 2HB CYS 28 HB1 CYS 28 11.351 -0.098 -3.900 227 H THR 29 HN THR 29 11.366 -2.071 -7.003 228 HA THR 29 HA THR 29 9.599 -3.668 -5.257 229 HB THR 29 HB THR 29 8.533 -4.184 -7.586 230 HG1 THR 29 HG1 THR 29 9.425 -3.208 -9.199 231 1HG2 THR 29 HG21 THR 29 8.563 -1.414 -6.357 232 2HG2 THR 29 HG23 THR 29 7.353 -1.989 -7.505 233 3HG2 THR 29 HG22 THR 29 7.491 -2.744 -5.919 234 H GLU 30 HN GLU 30 12.579 -4.308 -6.287 235 HA GLU 30 HA GLU 30 11.971 -7.029 -7.327 236 1HB GLU 30 HB2 GLU 30 14.354 -7.109 -7.931 237 2HB GLU 30 HB1 GLU 30 13.612 -5.650 -8.587 238 1HG GLU 30 HG2 GLU 30 15.063 -4.366 -7.450 239 2HG GLU 30 HG1 GLU 30 14.549 -5.098 -5.929 240 H LEU 31 HN LEU 31 11.483 -6.407 -4.537 241 HA LEU 31 HA LEU 31 13.590 -8.100 -3.287 242 1HB LEU 31 HB2 LEU 31 11.783 -5.992 -2.050 243 2HB LEU 31 HB1 LEU 31 12.856 -7.047 -1.128 244 HG LEU 31 HG LEU 31 14.424 -5.949 -3.214 245 1HD1 LEU 31 HD13 LEU 31 12.341 -4.110 -2.248 246 2HD1 LEU 31 HD12 LEU 31 13.977 -3.484 -2.056 247 3HD1 LEU 31 HD11 LEU 31 13.402 -3.972 -3.650 248 1HD2 LEU 31 HD21 LEU 31 14.762 -6.562 -0.634 249 2HD2 LEU 31 HD23 LEU 31 15.824 -5.418 -1.456 250 3HD2 LEU 31 HD22 LEU 31 14.505 -4.827 -0.445 251 H THR 32 HN THR 32 11.156 -8.024 -1.083 252 HA THR 32 HA THR 32 9.227 -9.764 -2.386 253 HB THR 32 HB THR 32 9.799 -11.655 -0.659 254 HG1 THR 32 HG1 THR 32 11.418 -10.697 0.463 255 1HG2 THR 32 HG23 THR 32 10.096 -11.514 -3.272 256 2HG2 THR 32 HG22 THR 32 11.811 -11.411 -2.873 257 3HG2 THR 32 HG21 THR 32 10.872 -12.817 -2.372 258 H VAL 33 HN VAL 33 7.379 -10.077 -1.070 259 HA VAL 33 HA VAL 33 7.466 -9.081 1.716 260 HB VAL 33 HB VAL 33 5.598 -7.529 1.344 261 1HG1 VAL 33 HG13 VAL 33 8.082 -6.917 0.922 262 2HG1 VAL 33 HG12 VAL 33 7.635 -6.911 -0.784 263 3HG1 VAL 33 HG11 VAL 33 6.842 -5.807 0.339 264 1HG2 VAL 33 HG21 VAL 33 4.663 -8.858 -0.621 265 2HG2 VAL 33 HG23 VAL 33 4.693 -7.110 -0.847 266 3HG2 VAL 33 HG22 VAL 33 5.920 -8.119 -1.612 267 H THR 34 HN THR 34 4.519 -9.036 1.885 268 HA THR 34 HA THR 34 4.106 -11.973 1.850 269 HB THR 34 HB THR 34 3.257 -9.772 3.555 270 HG1 THR 34 HG1 THR 34 3.863 -11.333 4.793 271 1HG2 THR 34 HG22 THR 34 1.126 -11.672 2.538 272 2HG2 THR 34 HG21 THR 34 0.964 -10.677 3.982 273 3HG2 THR 34 HG23 THR 34 1.126 -9.913 2.403 274 H ASP 35 HN ASP 35 2.219 -12.886 0.881 275 HA ASP 35 HA ASP 35 1.015 -11.162 -1.241 276 1HB ASP 35 HB2 ASP 35 2.205 -13.695 -1.394 277 2HB ASP 35 HB1 ASP 35 0.472 -14.014 -1.480 278 H ILE 36 HN ILE 36 -0.980 -10.437 -0.649 279 HA ILE 36 HA ILE 36 -2.618 -12.182 1.128 280 HB ILE 36 HB ILE 36 -3.578 -10.283 2.026 281 1HG1 ILE 36 HG12 ILE 36 -2.985 -8.994 -0.649 282 2HG1 ILE 36 HG11 ILE 36 -4.563 -9.342 0.059 283 1HG2 ILE 36 HG21 ILE 36 -0.989 -10.289 2.161 284 2HG2 ILE 36 HG23 ILE 36 -1.065 -8.973 0.989 285 3HG2 ILE 36 HG22 ILE 36 -1.827 -8.791 2.569 286 1HD1 ILE 36 HD12 ILE 36 -3.914 -7.763 1.955 287 2HD1 ILE 36 HD11 ILE 36 -2.553 -7.265 0.949 288 3HD1 ILE 36 HD13 ILE 36 -4.206 -7.003 0.391 289 H PHE 37 HN PHE 37 -2.353 -11.420 -2.139 290 HA PHE 37 HA PHE 37 -5.278 -11.459 -2.610 291 1HB PHE 37 HB2 PHE 37 -2.967 -11.247 -4.564 292 2HB PHE 37 HB1 PHE 37 -4.676 -11.085 -4.972 293 HD1 PHE 37 HD2 PHE 37 -6.029 -9.249 -3.788 294 HD2 PHE 37 HD1 PHE 37 -1.736 -9.393 -3.781 295 HE1 PHE 37 HE2 PHE 37 -5.951 -6.847 -3.172 296 HE2 PHE 37 HE1 PHE 37 -1.657 -6.992 -3.166 297 HZ PHE 37 HZ PHE 37 -3.763 -5.719 -2.861 298 H ALA 38 HN ALA 38 -3.517 -13.838 -1.655 299 HA ALA 38 HA ALA 38 -4.326 -15.711 -3.843 300 1HB ALA 38 HB1 ALA 38 -1.860 -15.459 -2.277 301 2HB ALA 38 HB3 ALA 38 -2.518 -17.096 -2.265 302 3HB ALA 38 HB2 ALA 38 -2.142 -16.307 -3.798 303 H ALA 39 HN ALA 39 -5.757 -14.662 -1.293 304 HA ALA 39 HA ALA 39 -6.975 -17.205 -0.608 305 1HB ALA 39 HB3 ALA 39 -4.793 -16.179 1.033 306 2HB ALA 39 HB2 ALA 39 -6.286 -16.345 1.959 307 3HB ALA 39 HB1 ALA 39 -5.613 -17.739 1.113 308 H SER 40 HN SER 40 -8.777 -15.865 -1.375 309 HA SER 40 HA SER 40 -9.746 -14.004 0.755 310 1HB SER 40 HB2 SER 40 -9.990 -13.691 -2.249 311 2HB SER 40 HB1 SER 40 -10.856 -12.697 -1.080 312 HG SER 40 HG SER 40 -8.975 -11.828 -0.415 313 H LYS 41 HN LYS 41 -11.684 -14.640 1.568 314 HA LYS 41 HA LYS 41 -13.309 -16.540 -0.074 315 1HB LYS 41 HB2 LYS 41 -13.456 -16.220 2.931 316 2HB LYS 41 HB1 LYS 41 -14.071 -17.550 1.949 317 1HG LYS 41 HG2 LYS 41 -11.751 -18.142 1.313 318 2HG LYS 41 HG1 LYS 41 -11.149 -16.836 2.335 319 1HD LYS 41 HD2 LYS 41 -11.695 -17.934 4.302 320 2HD LYS 41 HD1 LYS 41 -13.002 -18.849 3.550 321 1HE LYS 41 HE2 LYS 41 -10.452 -19.496 2.324 322 2HE LYS 41 HE1 LYS 41 -10.401 -19.769 4.066 323 1HZ LYS 41 HZ2 LYS 41 -12.704 -20.702 2.483 324 2HZ LYS 41 HZ1 LYS 41 -11.277 -21.624 2.535 325 3HZ LYS 41 HZ3 LYS 41 -12.118 -21.283 3.968 326 H ASP 42 HN ASP 42 -13.446 -13.744 2.109 327 HA ASP 42 HA ASP 42 -15.634 -12.548 0.696 328 1HB ASP 42 HB2 ASP 42 -16.905 -14.398 1.750 329 2HB ASP 42 HB1 ASP 42 -16.355 -13.857 3.337 330 H THR 43 HN THR 43 -13.442 -11.277 1.286 331 HA THR 43 HA THR 43 -13.847 -9.865 3.884 332 HB THR 43 HB THR 43 -11.482 -8.954 3.249 333 HG1 THR 43 HG1 THR 43 -10.381 -10.254 1.830 334 1HG2 THR 43 HG22 THR 43 -11.972 -10.562 5.078 335 2HG2 THR 43 HG21 THR 43 -11.863 -11.886 3.919 336 3HG2 THR 43 HG23 THR 43 -10.438 -10.912 4.283 337 H THR 44 HN THR 44 -13.646 -7.498 3.861 338 HA THR 44 HA THR 44 -14.680 -6.353 1.311 339 HB THR 44 HB THR 44 -14.841 -4.391 3.300 340 HG1 THR 44 HG1 THR 44 -15.194 -5.370 5.118 341 1HG2 THR 44 HG22 THR 44 -16.668 -6.208 1.842 342 2HG2 THR 44 HG21 THR 44 -17.327 -5.485 3.309 343 3HG2 THR 44 HG23 THR 44 -16.723 -4.454 2.013 344 H GLU 45 HN GLU 45 -14.002 -3.739 1.481 345 HA GLU 45 HA GLU 45 -11.137 -3.808 0.936 346 1HB GLU 45 HB2 GLU 45 -11.367 -1.549 0.224 347 2HB GLU 45 HB1 GLU 45 -12.865 -2.342 -0.267 348 1HG GLU 45 HG2 GLU 45 -13.715 -1.567 2.104 349 2HG GLU 45 HG1 GLU 45 -12.399 -0.398 1.975 350 H LYS 46 HN LYS 46 -13.154 -2.976 3.660 351 HA LYS 46 HA LYS 46 -11.191 -1.329 5.000 352 1HB LYS 46 HB2 LYS 46 -13.460 -2.924 6.219 353 2HB LYS 46 HB1 LYS 46 -12.644 -1.536 6.930 354 1HG LYS 46 HG2 LYS 46 -14.080 -0.157 5.888 355 2HG LYS 46 HG1 LYS 46 -13.531 -0.775 4.330 356 1HD LYS 46 HD2 LYS 46 -15.843 -1.248 4.323 357 2HD LYS 46 HD1 LYS 46 -15.111 -2.778 4.807 358 1HE LYS 46 HE2 LYS 46 -15.623 -2.399 7.115 359 2HE LYS 46 HE1 LYS 46 -16.056 -0.717 6.810 360 1HZ LYS 46 HZ1 LYS 46 -17.628 -2.240 5.124 361 2HZ LYS 46 HZ3 LYS 46 -17.673 -3.030 6.624 362 3HZ LYS 46 HZ2 LYS 46 -18.126 -1.397 6.513 363 H GLU 47 HN GLU 47 -12.115 -4.770 5.240 364 HA GLU 47 HA GLU 47 -10.157 -5.379 7.277 365 1HB GLU 47 HB2 GLU 47 -12.299 -6.707 6.380 366 2HB GLU 47 HB1 GLU 47 -11.077 -7.492 5.381 367 1HG GLU 47 HG2 GLU 47 -9.817 -7.507 7.790 368 2HG GLU 47 HG1 GLU 47 -11.499 -7.637 8.309 369 H THR 48 HN THR 48 -10.217 -6.005 3.746 370 HA THR 48 HA THR 48 -7.607 -7.121 3.596 371 HB THR 48 HB THR 48 -8.686 -5.410 1.376 372 HG1 THR 48 HG1 THR 48 -10.110 -7.068 0.865 373 1HG2 THR 48 HG21 THR 48 -6.538 -7.050 1.543 374 2HG2 THR 48 HG23 THR 48 -7.759 -8.203 1.007 375 3HG2 THR 48 HG22 THR 48 -7.419 -6.767 0.042 376 H PHE 49 HN PHE 49 -8.678 -3.780 3.763 377 HA PHE 49 HA PHE 49 -6.162 -2.609 2.944 378 1HB PHE 49 HB2 PHE 49 -8.654 -1.626 4.278 379 2HB PHE 49 HB1 PHE 49 -7.202 -0.633 4.392 380 HD1 PHE 49 HD1 PHE 49 -8.106 -2.876 1.568 381 HD2 PHE 49 HD2 PHE 49 -7.802 1.182 2.945 382 HE1 PHE 49 HE1 PHE 49 -8.502 -2.065 -0.738 383 HE2 PHE 49 HE2 PHE 49 -8.195 1.992 0.635 384 HZ PHE 49 HZ PHE 49 -8.553 0.367 -1.204 385 H CYS 50 HN CYS 50 -7.513 -3.703 6.014 386 HA CYS 50 HA CYS 50 -5.468 -2.519 7.677 387 1HB CYS 50 HB2 CYS 50 -7.583 -3.281 8.651 388 2HB CYS 50 HB1 CYS 50 -7.257 -4.933 8.133 389 NH1 ARG 51 NH2 ARG 51 -6.634 -12.169 4.519 390 NH2 ARG 51 NH1 ARG 51 -4.738 -12.549 3.350 391 H ARG 51 HN ARG 51 -5.826 -5.726 6.145 392 HA ARG 51 HA ARG 51 -3.498 -6.922 7.267 393 1HB ARG 51 HB2 ARG 51 -5.304 -7.442 5.010 394 2HB ARG 51 HB1 ARG 51 -3.649 -7.975 4.711 395 1HG ARG 51 HG2 ARG 51 -3.656 -9.447 6.538 396 2HG ARG 51 HG1 ARG 51 -5.002 -8.619 7.320 397 1HD ARG 51 HD2 ARG 51 -6.047 -10.523 6.444 398 2HD ARG 51 HD1 ARG 51 -6.341 -9.325 5.183 399 HE ARG 51 HE ARG 51 -3.933 -10.516 4.462 400 1HH1 ARG 51 HH21 ARG 51 -7.165 -11.625 5.165 401 2HH1 ARG 51 HH22 ARG 51 -7.039 -12.987 4.110 402 1HH2 ARG 51 HH11 ARG 51 -3.805 -12.291 3.099 403 2HH2 ARG 51 HH12 ARG 51 -5.156 -13.363 2.949 404 H ALA 52 HN ALA 52 -3.842 -5.427 4.026 405 HA ALA 52 HA ALA 52 -1.037 -5.392 3.484 406 1HB ALA 52 HB2 ALA 52 -3.131 -4.947 1.932 407 2HB ALA 52 HB1 ALA 52 -2.838 -3.267 2.382 408 3HB ALA 52 HB3 ALA 52 -1.577 -4.194 1.570 409 H ALA 53 HN ALA 53 -3.004 -3.386 5.520 410 HA ALA 53 HA ALA 53 -1.304 -1.047 5.470 411 1HB ALA 53 HB1 ALA 53 -3.572 -2.035 7.138 412 2HB ALA 53 HB3 ALA 53 -2.512 -0.823 7.858 413 3HB ALA 53 HB2 ALA 53 -3.356 -0.472 6.350 414 H THR 54 HN THR 54 -1.415 -4.023 7.355 415 HA THR 54 HA THR 54 0.572 -3.187 9.291 416 HB THR 54 HB THR 54 -0.543 -5.875 8.458 417 HG1 THR 54 HG1 THR 54 -0.619 -4.492 10.926 418 1HG2 THR 54 HG22 THR 54 1.647 -5.240 10.449 419 2HG2 THR 54 HG21 THR 54 0.721 -6.741 10.484 420 3HG2 THR 54 HG23 THR 54 1.722 -6.355 9.085 421 H VAL 55 HN VAL 55 0.688 -5.333 6.424 422 HA VAL 55 HA VAL 55 3.487 -5.785 6.452 423 HB VAL 55 HB VAL 55 1.566 -5.580 4.111 424 1HG1 VAL 55 HG12 VAL 55 4.482 -6.267 4.296 425 2HG1 VAL 55 HG11 VAL 55 3.476 -7.123 3.127 426 3HG1 VAL 55 HG13 VAL 55 3.624 -5.368 3.044 427 1HG2 VAL 55 HG23 VAL 55 1.792 -7.464 6.166 428 2HG2 VAL 55 HG22 VAL 55 0.972 -7.702 4.623 429 3HG2 VAL 55 HG21 VAL 55 2.654 -8.194 4.812 430 H LEU 56 HN LEU 56 1.601 -3.009 5.422 431 HA LEU 56 HA LEU 56 3.730 -1.700 3.965 432 1HB LEU 56 HB2 LEU 56 0.988 -1.178 4.589 433 2HB LEU 56 HB1 LEU 56 1.935 0.217 5.108 434 HG LEU 56 HG LEU 56 3.104 -0.126 2.748 435 1HD1 LEU 56 HD12 LEU 56 0.511 -1.623 2.592 436 2HD1 LEU 56 HD11 LEU 56 1.056 -0.716 1.181 437 3HD1 LEU 56 HD13 LEU 56 2.064 -2.000 1.848 438 1HD2 LEU 56 HD21 LEU 56 1.670 1.815 3.660 439 2HD2 LEU 56 HD23 LEU 56 1.727 1.621 1.908 440 3HD2 LEU 56 HD22 LEU 56 0.322 1.056 2.812 441 NH1 ARG 57 NH2 ARG 57 0.853 -1.192 13.720 442 NH2 ARG 57 NH1 ARG 57 -0.977 -1.819 12.552 443 H ARG 57 HN ARG 57 2.563 -1.586 7.321 444 HA ARG 57 HA ARG 57 4.177 0.538 8.259 445 1HB ARG 57 HB2 ARG 57 2.873 -1.839 9.488 446 2HB ARG 57 HB1 ARG 57 4.157 -1.072 10.422 447 1HG ARG 57 HG2 ARG 57 2.970 1.146 9.972 448 2HG ARG 57 HG1 ARG 57 1.607 0.187 9.396 449 1HD ARG 57 HD2 ARG 57 2.721 -0.645 12.010 450 2HD ARG 57 HD1 ARG 57 1.932 0.932 11.995 451 HE ARG 57 HE ARG 57 0.150 -0.731 10.667 452 1HH1 ARG 57 HH21 ARG 57 1.745 -0.745 13.771 453 2HH1 ARG 57 HH22 ARG 57 0.464 -1.612 14.540 454 1HH2 ARG 57 HH11 ARG 57 -1.493 -1.852 11.696 455 2HH2 ARG 57 HH12 ARG 57 -1.354 -2.235 13.379 456 H GLN 58 HN GLN 58 4.923 -2.883 7.740 457 HA GLN 58 HA GLN 58 7.585 -2.719 8.885 458 1HB GLN 58 HB2 GLN 58 5.925 -4.779 8.075 459 2HB GLN 58 HB1 GLN 58 7.178 -4.780 6.832 460 1HG GLN 58 HG2 GLN 58 8.760 -4.519 8.976 461 2HG GLN 58 HG1 GLN 58 7.405 -5.338 9.755 462 1HE2 GLN 58 HE22 GLN 58 7.804 -8.103 7.212 463 2HE2 GLN 58 HE21 GLN 58 6.584 -6.957 7.497 464 H PHE 59 HN PHE 59 6.194 -2.223 5.693 465 HA PHE 59 HA PHE 59 8.578 -2.268 4.136 466 1HB PHE 59 HB2 PHE 59 6.085 -2.030 3.403 467 2HB PHE 59 HB1 PHE 59 6.346 -0.303 3.635 468 HD1 PHE 59 HD1 PHE 59 7.278 -3.267 1.654 469 HD2 PHE 59 HD2 PHE 59 7.865 0.955 2.194 470 HE1 PHE 59 HE1 PHE 59 8.378 -3.135 -0.565 471 HE2 PHE 59 HE2 PHE 59 8.966 1.085 -0.023 472 HZ PHE 59 HZ PHE 59 9.222 -0.959 -1.403 473 OH TYR 60 OH TYR 60 5.650 3.896 11.205 474 H TYR 60 HN TYR 60 6.983 0.505 5.767 475 HA TYR 60 HA TYR 60 9.360 2.154 5.199 476 1HB TYR 60 HB2 TYR 60 8.023 3.976 5.547 477 2HB TYR 60 HB1 TYR 60 6.734 2.805 5.267 478 HD1 TYR 60 HD2 TYR 60 5.567 1.738 7.193 479 HD2 TYR 60 HD1 TYR 60 8.428 4.895 7.735 480 HE1 TYR 60 HE2 TYR 60 4.735 2.096 9.501 481 HE2 TYR 60 HE1 TYR 60 7.596 5.252 10.045 482 HH TYR 60 HH TYR 60 5.636 4.840 11.373 483 H SER 61 HN SER 61 8.515 0.011 7.646 484 HA SER 61 HA SER 61 9.725 1.634 9.794 485 1HB SER 61 HB2 SER 61 8.428 -1.086 9.684 486 2HB SER 61 HB1 SER 61 9.341 -0.570 11.098 487 HG SER 61 HG SER 61 7.418 0.228 11.569 488 H HIS 62 HN HIS 62 10.298 -1.674 8.580 489 HA HIS 62 HA HIS 62 13.129 -1.462 9.414 490 1HB HIS 62 HB2 HIS 62 11.566 -3.789 8.259 491 2HB HIS 62 HB1 HIS 62 13.215 -3.872 8.881 492 HD1 HIS 62 HD1 HIS 62 10.525 -5.284 10.074 493 HD2 HIS 62 HD2 HIS 62 12.549 -1.988 11.630 494 HE1 HIS 62 HE1 HIS 62 9.915 -5.162 12.528 495 H HIS 63 HN HIS 63 11.208 -1.873 6.468 496 HA HIS 63 HA HIS 63 13.639 -2.002 4.811 497 1HB HIS 63 HB2 HIS 63 11.686 -3.434 4.315 498 2HB HIS 63 HB1 HIS 63 10.708 -1.999 4.036 499 HD1 HIS 63 HD1 HIS 63 14.272 -2.557 2.840 500 HD2 HIS 63 HD2 HIS 63 10.429 -2.139 1.280 501 HE1 HIS 63 HE1 HIS 63 14.533 -2.418 0.324 502 H GLU 64 HN GLU 64 12.634 0.551 6.325 503 HA GLU 64 HA GLU 64 12.225 2.366 4.024 504 1HB GLU 64 HB2 GLU 64 10.932 3.235 5.709 505 2HB GLU 64 HB1 GLU 64 11.955 2.571 6.978 506 1HG GLU 64 HG2 GLU 64 13.570 4.314 6.721 507 2HG GLU 64 HG1 GLU 64 12.841 4.858 5.209 508 H LYS 65 HN LYS 65 14.686 1.471 6.376 509 HA LYS 65 HA LYS 65 16.564 3.400 5.073 510 1HB LYS 65 HB2 LYS 65 16.041 3.209 7.716 511 2HB LYS 65 HB1 LYS 65 17.331 2.011 7.592 512 1HG LYS 65 HG2 LYS 65 18.922 3.578 7.068 513 2HG LYS 65 HG1 LYS 65 17.780 4.595 6.187 514 1HD LYS 65 HD2 LYS 65 17.318 5.837 8.018 515 2HD LYS 65 HD1 LYS 65 17.150 4.408 9.038 516 1HE LYS 65 HE2 LYS 65 19.035 5.432 9.964 517 2HE LYS 65 HE1 LYS 65 19.763 4.289 8.835 518 1HZ LYS 65 HZ3 LYS 65 19.825 6.093 7.180 519 2HZ LYS 65 HZ2 LYS 65 19.257 7.175 8.361 520 3HZ LYS 65 HZ1 LYS 65 20.770 6.426 8.548 521 H ASP 66 HN ASP 66 16.091 1.169 3.595 522 HA ASP 66 HA ASP 66 18.098 -0.883 4.294 523 1HB ASP 66 HB2 ASP 66 15.671 -1.063 3.069 524 2HB ASP 66 HB1 ASP 66 16.742 -1.009 1.668 525 H THR 67 HN THR 67 20.029 -1.156 3.197 526 HA THR 67 HA THR 67 21.142 1.101 1.809 527 HB THR 67 HB THR 67 22.628 -0.369 3.009 528 HG1 THR 67 HG1 THR 67 24.032 -0.070 1.504 529 1HG2 THR 67 HG23 THR 67 21.204 -2.461 1.425 530 2HG2 THR 67 HG22 THR 67 22.895 -2.751 1.833 531 3HG2 THR 67 HG21 THR 67 21.712 -2.482 3.114 532 NH1 ARG 68 NH2 ARG 68 18.770 -8.074 -0.789 533 NH2 ARG 68 NH1 ARG 68 18.701 -8.471 -3.011 534 H ARG 68 HN ARG 68 19.455 -1.777 0.732 535 HA ARG 68 HA ARG 68 20.314 -1.652 -2.021 536 1HB ARG 68 HB2 ARG 68 18.229 -3.091 -0.468 537 2HB ARG 68 HB1 ARG 68 17.915 -2.890 -2.193 538 1HG ARG 68 HG2 ARG 68 19.784 -4.131 -2.818 539 2HG ARG 68 HG1 ARG 68 20.626 -3.816 -1.300 540 1HD ARG 68 HD2 ARG 68 19.834 -5.736 -0.440 541 2HD ARG 68 HD1 ARG 68 18.180 -5.188 -0.711 542 HE ARG 68 HE ARG 68 19.026 -6.048 -3.210 543 1HH1 ARG 68 HH21 ARG 68 18.860 -7.447 -0.018 544 2HH1 ARG 68 HH22 ARG 68 18.640 -9.051 -0.620 545 1HH2 ARG 68 HH11 ARG 68 18.737 -8.143 -3.955 546 2HH2 ARG 68 HH12 ARG 68 18.571 -9.446 -2.825 547 H CYS 69 HN CYS 69 17.127 -0.812 -0.595 548 HA CYS 69 HA CYS 69 16.253 0.616 -2.924 549 1HB CYS 69 HB2 CYS 69 15.298 0.214 -0.157 550 2HB CYS 69 HB1 CYS 69 14.769 1.715 -0.919 551 H LEU 70 HN LEU 70 18.489 1.502 -0.460 552 HA LEU 70 HA LEU 70 18.080 4.266 -0.168 553 1HB LEU 70 HB2 LEU 70 20.103 2.440 0.479 554 2HB LEU 70 HB1 LEU 70 20.898 3.647 -0.533 555 HG LEU 70 HG LEU 70 20.984 4.350 1.812 556 1HD1 LEU 70 HD12 LEU 70 20.476 5.973 -0.163 557 2HD1 LEU 70 HD11 LEU 70 18.858 6.059 0.531 558 3HD1 LEU 70 HD13 LEU 70 20.253 6.562 1.485 559 1HD2 LEU 70 HD22 LEU 70 18.217 3.415 1.732 560 2HD2 LEU 70 HD21 LEU 70 19.268 3.680 3.124 561 3HD2 LEU 70 HD23 LEU 70 18.349 5.023 2.444 562 H GLY 71 HN GLY 71 19.739 2.525 -2.797 563 1HA GLY 71 HA2 GLY 71 19.687 3.301 -5.087 564 2HA GLY 71 HA1 GLY 71 19.346 4.928 -4.497 565 H ALA 72 HN ALA 72 21.356 4.595 -6.359 566 HA ALA 72 HA ALA 72 23.803 5.061 -4.701 567 1HB ALA 72 HB1 ALA 72 23.402 3.044 -6.647 568 2HB ALA 72 HB3 ALA 72 24.459 4.243 -7.390 569 3HB ALA 72 HB2 ALA 72 24.918 3.488 -5.865 570 H THR 73 HN THR 73 21.862 7.025 -5.633 571 HA THR 73 HA THR 73 23.727 8.835 -6.972 572 HB THR 73 HB THR 73 22.914 7.814 -8.973 573 HG1 THR 73 HG1 THR 73 22.805 9.935 -9.330 574 1HG2 THR 73 HG22 THR 73 20.495 7.506 -7.369 575 2HG2 THR 73 HG21 THR 73 20.146 8.080 -9.000 576 3HG2 THR 73 HG23 THR 73 21.039 6.578 -8.767 577 H ALA 74 HN ALA 74 22.844 11.054 -7.036 578 HA ALA 74 HA ALA 74 21.347 11.690 -4.673 579 1HB ALA 74 HB3 ALA 74 22.643 13.140 -6.853 580 2HB ALA 74 HB2 ALA 74 21.149 13.918 -6.331 581 3HB ALA 74 HB1 ALA 74 22.435 13.609 -5.165 582 H GLN 75 HN GLN 75 20.418 11.104 -8.005 583 HA GLN 75 HA GLN 75 17.804 12.292 -7.872 584 1HB GLN 75 HB2 GLN 75 18.956 10.090 -9.603 585 2HB GLN 75 HB1 GLN 75 17.323 10.721 -9.812 586 1HG GLN 75 HG2 GLN 75 19.039 12.971 -9.622 587 2HG GLN 75 HG1 GLN 75 19.809 11.840 -10.736 588 1HE2 GLN 75 HE22 GLN 75 17.079 14.032 -12.372 589 2HE2 GLN 75 HE21 GLN 75 18.239 14.460 -11.209 590 H GLN 76 HN GLN 76 18.778 8.847 -7.667 591 HA GLN 76 HA GLN 76 16.220 7.869 -6.906 592 1HB GLN 76 HB2 GLN 76 18.937 6.754 -6.143 593 2HB GLN 76 HB1 GLN 76 17.410 5.870 -6.134 594 1HG GLN 76 HG2 GLN 76 18.141 7.239 -8.674 595 2HG GLN 76 HG1 GLN 76 19.094 5.819 -8.237 596 1HE2 GLN 76 HE22 GLN 76 16.393 4.199 -10.001 597 2HE2 GLN 76 HE21 GLN 76 17.922 4.894 -10.245 598 H PHE 77 HN PHE 77 18.689 9.499 -5.042 599 HA PHE 77 HA PHE 77 17.902 8.636 -2.435 600 1HB PHE 77 HB2 PHE 77 19.803 10.385 -3.496 601 2HB PHE 77 HB1 PHE 77 18.759 11.418 -2.519 602 HD1 PHE 77 HD2 PHE 77 18.114 10.459 -0.145 603 HD2 PHE 77 HD1 PHE 77 21.511 9.185 -2.445 604 HE1 PHE 77 HE2 PHE 77 19.188 9.598 1.918 605 HE2 PHE 77 HE1 PHE 77 22.585 8.323 -0.381 606 HZ PHE 77 HZ PHE 77 21.422 8.530 1.800 607 H HIS 78 HN HIS 78 16.815 11.391 -4.429 608 HA HIS 78 HA HIS 78 14.930 12.294 -2.396 609 1HB HIS 78 HB2 HIS 78 15.787 13.947 -3.920 610 2HB HIS 78 HB1 HIS 78 15.291 12.995 -5.320 611 HD1 HIS 78 HD1 HIS 78 12.795 13.028 -5.973 612 HD2 HIS 78 HD2 HIS 78 13.644 15.302 -2.584 613 HE1 HIS 78 HE1 HIS 78 10.724 14.407 -5.499 614 NH1 ARG 79 NH2 ARG 79 14.500 10.634 -10.045 615 NH2 ARG 79 NH1 ARG 79 15.036 8.777 -11.210 616 H ARG 79 HN ARG 79 14.824 10.121 -5.149 617 HA ARG 79 HA ARG 79 11.928 10.022 -5.301 618 1HB ARG 79 HB2 ARG 79 14.063 8.125 -6.319 619 2HB ARG 79 HB1 ARG 79 12.345 7.980 -6.691 620 1HG ARG 79 HG2 ARG 79 13.020 10.671 -7.209 621 2HG ARG 79 HG1 ARG 79 14.323 9.707 -7.900 622 1HD ARG 79 HD2 ARG 79 11.694 8.560 -8.442 623 2HD ARG 79 HD1 ARG 79 11.841 10.195 -9.077 624 HE ARG 79 HE ARG 79 13.015 7.848 -10.199 625 1HH1 ARG 79 HH21 ARG 79 13.890 11.135 -9.436 626 2HH1 ARG 79 HH22 ARG 79 15.304 11.093 -10.427 627 1HH2 ARG 79 HH11 ARG 79 14.836 7.839 -11.489 628 2HH2 ARG 79 HH12 ARG 79 15.831 9.252 -11.587 629 H HIS 80 HN HIS 80 14.301 8.501 -3.259 630 HA HIS 80 HA HIS 80 12.464 6.330 -2.483 631 1HB HIS 80 HB2 HIS 80 14.859 5.835 -2.592 632 2HB HIS 80 HB1 HIS 80 15.198 7.124 -1.439 633 HD1 HIS 80 HD1 HIS 80 12.834 4.116 -1.502 634 HD2 HIS 80 HD2 HIS 80 15.454 6.067 1.088 635 HE1 HIS 80 HE1 HIS 80 12.781 2.825 0.677 636 H LYS 81 HN LYS 81 13.957 9.199 -0.962 637 HA LYS 81 HA LYS 81 12.715 8.940 1.574 638 1HB LYS 81 HB2 LYS 81 14.510 10.656 0.639 639 2HB LYS 81 HB1 LYS 81 13.084 11.661 0.377 640 1HG LYS 81 HG2 LYS 81 12.581 11.781 2.650 641 2HG LYS 81 HG1 LYS 81 13.445 10.288 3.022 642 1HD LYS 81 HD2 LYS 81 14.969 12.653 1.968 643 2HD LYS 81 HD1 LYS 81 14.518 12.597 3.673 644 1HE LYS 81 HE2 LYS 81 15.995 10.373 2.239 645 2HE LYS 81 HE1 LYS 81 16.785 11.620 3.205 646 1HZ LYS 81 HZ1 LYS 81 14.904 10.785 4.894 647 2HZ LYS 81 HZ3 LYS 81 15.202 9.342 4.053 648 3HZ LYS 81 HZ2 LYS 81 16.475 10.140 4.846 649 H GLN 82 HN GLN 82 11.412 9.995 -1.496 650 HA GLN 82 HA GLN 82 9.057 11.260 -0.308 651 1HB GLN 82 HB2 GLN 82 10.109 11.829 -2.580 652 2HB GLN 82 HB1 GLN 82 9.353 10.351 -3.175 653 1HG GLN 82 HG2 GLN 82 7.148 11.206 -2.368 654 2HG GLN 82 HG1 GLN 82 7.937 12.718 -1.916 655 1HE2 GLN 82 HE22 GLN 82 7.584 13.992 -5.168 656 2HE2 GLN 82 HE21 GLN 82 7.639 14.284 -3.496 657 H LEU 83 HN LEU 83 9.781 8.164 -1.927 658 HA LEU 83 HA LEU 83 7.126 7.161 -1.972 659 1HB LEU 83 HB2 LEU 83 8.182 5.453 -2.986 660 2HB LEU 83 HB1 LEU 83 9.721 6.199 -2.584 661 HG LEU 83 HG LEU 83 9.509 5.010 -0.296 662 1HD1 LEU 83 HD12 LEU 83 6.982 4.402 -1.227 663 2HD1 LEU 83 HD11 LEU 83 7.875 2.927 -1.596 664 3HD1 LEU 83 HD13 LEU 83 7.810 3.527 0.061 665 1HD2 LEU 83 HD21 LEU 83 10.963 4.357 -2.290 666 2HD2 LEU 83 HD23 LEU 83 10.571 3.062 -1.159 667 3HD2 LEU 83 HD22 LEU 83 9.710 3.185 -2.694 668 H ILE 84 HN ILE 84 9.531 7.216 0.608 669 HA ILE 84 HA ILE 84 8.129 5.466 2.399 670 HB ILE 84 HB ILE 84 10.005 7.749 3.080 671 1HG1 ILE 84 HG12 ILE 84 10.864 5.998 1.429 672 2HG1 ILE 84 HG11 ILE 84 11.796 6.154 2.919 673 1HG2 ILE 84 HG23 ILE 84 8.631 5.650 4.623 674 2HG2 ILE 84 HG22 ILE 84 10.369 5.725 4.907 675 3HG2 ILE 84 HG21 ILE 84 9.369 7.151 5.181 676 1HD1 ILE 84 HD11 ILE 84 9.552 4.238 3.062 677 2HD1 ILE 84 HD13 ILE 84 10.844 3.780 1.953 678 3HD1 ILE 84 HD12 ILE 84 11.205 4.080 3.652 679 NH1 ARG 85 NH2 ARG 85 8.608 15.679 2.877 680 NH2 ARG 85 NH1 ARG 85 9.296 15.480 5.019 681 H ARG 85 HN ARG 85 7.923 8.938 1.767 682 HA ARG 85 HA ARG 85 6.250 9.580 4.014 683 1HB ARG 85 HB2 ARG 85 6.554 10.895 1.300 684 2HB ARG 85 HB1 ARG 85 5.616 11.584 2.626 685 1HG ARG 85 HG2 ARG 85 7.775 11.294 4.031 686 2HG ARG 85 HG1 ARG 85 8.590 11.119 2.476 687 1HD ARG 85 HD2 ARG 85 8.288 13.313 1.915 688 2HD ARG 85 HD1 ARG 85 6.711 13.404 2.702 689 HE ARG 85 HE ARG 85 8.476 13.177 4.815 690 1HH1 ARG 85 HH21 ARG 85 8.193 15.295 2.055 691 2HH1 ARG 85 HH22 ARG 85 8.917 16.630 2.877 692 1HH2 ARG 85 HH11 ARG 85 9.410 14.932 5.848 693 2HH2 ARG 85 HH12 ARG 85 9.599 16.432 5.001 694 H PHE 86 HN PHE 86 5.507 8.744 0.635 695 HA PHE 86 HA PHE 86 2.698 8.966 0.761 696 1HB PHE 86 HB2 PHE 86 4.566 7.229 -0.837 697 2HB PHE 86 HB1 PHE 86 2.823 6.996 -0.966 698 HD1 PHE 86 HD2 PHE 86 1.700 9.658 -0.809 699 HD2 PHE 86 HD1 PHE 86 5.311 8.358 -2.740 700 HE1 PHE 86 HE2 PHE 86 1.553 11.574 -2.373 701 HE2 PHE 86 HE1 PHE 86 5.162 10.276 -4.305 702 HZ PHE 86 HZ PHE 86 3.284 11.885 -4.122 703 H LEU 87 HN LEU 87 4.819 6.296 1.745 704 HA LEU 87 HA LEU 87 2.728 4.423 2.324 705 1HB LEU 87 HB2 LEU 87 5.605 4.644 2.771 706 2HB LEU 87 HB1 LEU 87 4.786 3.881 4.133 707 HG LEU 87 HG LEU 87 3.609 2.745 1.846 708 1HD1 LEU 87 HD13 LEU 87 5.597 3.723 0.618 709 2HD1 LEU 87 HD12 LEU 87 6.627 2.686 1.604 710 3HD1 LEU 87 HD11 LEU 87 5.450 1.969 0.504 711 1HD2 LEU 87 HD22 LEU 87 5.725 1.784 3.790 712 2HD2 LEU 87 HD21 LEU 87 3.983 1.525 3.888 713 3HD2 LEU 87 HD23 LEU 87 4.926 0.721 2.632 714 H LYS 88 HN LYS 88 4.444 6.756 4.416 715 HA LYS 88 HA LYS 88 3.173 6.126 6.852 716 1HB LYS 88 HB2 LYS 88 4.080 8.822 5.798 717 2HB LYS 88 HB1 LYS 88 3.641 8.505 7.477 718 1HG LYS 88 HG2 LYS 88 5.388 6.522 7.202 719 2HG LYS 88 HG1 LYS 88 6.025 7.566 5.930 720 1HD LYS 88 HD2 LYS 88 6.487 9.323 7.434 721 2HD LYS 88 HD1 LYS 88 5.418 8.663 8.672 722 1HE LYS 88 HE2 LYS 88 6.939 6.970 9.261 723 2HE LYS 88 HE1 LYS 88 7.826 7.110 7.743 724 1HZ LYS 88 HZ1 LYS 88 7.712 9.241 9.806 725 2HZ LYS 88 HZ3 LYS 88 8.974 8.115 9.675 726 3HZ LYS 88 HZ2 LYS 88 8.683 9.216 8.413 727 NH1 ARG 89 NH2 ARG 89 0.759 12.557 -0.189 728 NH2 ARG 89 NH1 ARG 89 2.992 12.698 0.134 729 H ARG 89 HN ARG 89 1.992 7.985 4.102 730 HA ARG 89 HA ARG 89 -0.311 9.066 5.484 731 1HB ARG 89 HB2 ARG 89 0.406 8.731 2.569 732 2HB ARG 89 HB1 ARG 89 -1.148 9.396 3.075 733 1HG ARG 89 HG2 ARG 89 0.079 11.108 4.428 734 2HG ARG 89 HG1 ARG 89 1.594 10.491 3.767 735 1HD ARG 89 HD2 ARG 89 -0.193 10.935 1.583 736 2HD ARG 89 HD1 ARG 89 -0.201 12.381 2.591 737 HE ARG 89 HE ARG 89 2.488 11.754 2.341 738 1HH1 ARG 89 HH21 ARG 89 -0.155 12.316 0.133 739 2HH1 ARG 89 HH22 ARG 89 0.876 12.942 -1.104 740 1HH2 ARG 89 HH11 ARG 89 3.796 12.564 0.712 741 2HH2 ARG 89 HH12 ARG 89 3.094 13.077 -0.787 742 H LEU 90 HN LEU 90 0.102 6.341 3.214 743 HA LEU 90 HA LEU 90 -2.624 5.454 3.409 744 1HB LEU 90 HB2 LEU 90 -0.228 3.737 2.737 745 2HB LEU 90 HB1 LEU 90 -1.900 3.491 2.234 746 HG LEU 90 HG LEU 90 0.083 5.535 1.273 747 1HD1 LEU 90 HD12 LEU 90 -0.698 3.197 0.218 748 2HD1 LEU 90 HD11 LEU 90 -1.993 4.215 -0.415 749 3HD1 LEU 90 HD13 LEU 90 -0.312 4.592 -0.790 750 1HD2 LEU 90 HD22 LEU 90 -2.907 5.807 1.474 751 2HD2 LEU 90 HD21 LEU 90 -1.662 7.028 1.736 752 3HD2 LEU 90 HD23 LEU 90 -2.060 6.512 0.098 753 H ASP 91 HN ASP 91 -0.063 5.241 5.678 754 HA ASP 91 HA ASP 91 -0.574 2.690 6.825 755 1HB ASP 91 HB2 ASP 91 1.361 3.818 7.600 756 2HB ASP 91 HB1 ASP 91 0.457 5.287 7.970 757 NH1 ARG 92 NH2 ARG 92 -5.105 3.919 14.047 758 NH2 ARG 92 NH1 ARG 92 -3.760 4.781 15.642 759 H ARG 92 HN ARG 92 -1.676 5.834 8.125 760 HA ARG 92 HA ARG 92 -3.923 4.434 9.443 761 1HB ARG 92 HB2 ARG 92 -2.844 7.249 9.615 762 2HB ARG 92 HB1 ARG 92 -4.348 6.764 10.400 763 1HG ARG 92 HG2 ARG 92 -1.750 5.272 10.816 764 2HG ARG 92 HG1 ARG 92 -2.242 6.620 11.842 765 1HD ARG 92 HD2 ARG 92 -4.527 5.104 11.810 766 2HD ARG 92 HD1 ARG 92 -3.281 3.858 11.738 767 HE ARG 92 HE ARG 92 -2.421 5.571 13.747 768 1HH1 ARG 92 HH21 ARG 92 -5.331 3.761 13.088 769 2HH1 ARG 92 HH22 ARG 92 -5.706 3.559 14.762 770 1HH2 ARG 92 HH11 ARG 92 -2.941 5.291 15.907 771 2HH2 ARG 92 HH12 ARG 92 -4.371 4.417 16.345 772 H ASN 93 HN ASN 93 -3.456 6.001 6.453 773 HA ASN 93 HA ASN 93 -6.166 7.152 6.359 774 1HB ASN 93 HB2 ASN 93 -3.991 6.871 4.268 775 2HB ASN 93 HB1 ASN 93 -5.558 7.615 3.955 776 1HD2 ASN 93 HD22 ASN 93 -3.663 10.551 4.878 777 2HD2 ASN 93 HD21 ASN 93 -4.057 9.588 3.536 778 H LEU 94 HN LEU 94 -4.441 4.394 4.907 779 HA LEU 94 HA LEU 94 -6.771 3.494 3.435 780 1HB LEU 94 HB2 LEU 94 -4.010 2.795 3.609 781 2HB LEU 94 HB1 LEU 94 -4.953 1.337 3.908 782 HG LEU 94 HG LEU 94 -6.327 2.431 1.811 783 1HD1 LEU 94 HD12 LEU 94 -4.096 4.008 1.883 784 2HD1 LEU 94 HD11 LEU 94 -3.568 2.728 0.790 785 3HD1 LEU 94 HD13 LEU 94 -5.013 3.666 0.417 786 1HD2 LEU 94 HD23 LEU 94 -4.915 0.131 2.330 787 2HD2 LEU 94 HD22 LEU 94 -5.723 0.480 0.802 788 3HD2 LEU 94 HD21 LEU 94 -4.001 0.813 0.984 789 CH2 TRP 95 CH2 TRP 95 -5.016 0.827 13.429 790 H TRP 95 HN TRP 95 -5.179 2.342 6.436 791 HA TRP 95 HA TRP 95 -7.440 0.504 6.889 792 1HB TRP 95 HB2 TRP 95 -5.458 -0.535 7.491 793 2HB TRP 95 HB1 TRP 95 -4.765 0.942 8.159 794 HD1 TRP 95 HD1 TRP 95 -7.808 -1.341 8.955 795 HE1 TRP 95 HE1 TRP 95 -7.995 -1.515 11.523 796 HE3 TRP 95 HE3 TRP 95 -3.962 1.673 10.298 797 HZ2 TRP 95 HZ2 TRP 95 -6.673 -0.481 13.852 798 HZ3 TRP 95 HZ3 TRP 95 -3.428 2.083 12.690 799 HH2 TRP 95 HH2 TRP 95 -4.783 1.005 14.467 800 H GLY 96 HN GLY 96 -6.495 3.700 7.901 801 1HA GLY 96 HA2 GLY 96 -7.742 3.798 10.460 802 2HA GLY 96 HA1 GLY 96 -7.601 5.183 9.379 803 H LEU 97 HN LEU 97 -9.071 4.325 7.203 804 HA LEU 97 HA LEU 97 -11.745 4.927 7.892 805 1HB LEU 97 HB2 LEU 97 -10.561 4.788 5.557 806 2HB LEU 97 HB1 LEU 97 -11.065 3.099 5.591 807 HG LEU 97 HG LEU 97 -13.303 4.657 6.394 808 1HD1 LEU 97 HD12 LEU 97 -11.793 6.398 5.074 809 2HD1 LEU 97 HD11 LEU 97 -12.436 5.549 3.668 810 3HD1 LEU 97 HD13 LEU 97 -13.535 6.333 4.803 811 1HD2 LEU 97 HD22 LEU 97 -12.499 2.888 4.113 812 2HD2 LEU 97 HD21 LEU 97 -13.791 2.671 5.295 813 3HD2 LEU 97 HD23 LEU 97 -13.995 3.811 3.965 814 H ALA 98 HN ALA 98 -10.019 1.876 7.697 815 HA ALA 98 HA ALA 98 -12.164 0.059 7.947 816 1HB ALA 98 HB3 ALA 98 -9.464 -0.178 7.753 817 2HB ALA 98 HB2 ALA 98 -9.686 -0.555 9.461 818 3HB ALA 98 HB1 ALA 98 -10.515 -1.512 8.232 819 H GLY 99 HN GLY 99 -10.045 1.226 10.575 820 1HA GLY 99 HA2 GLY 99 -10.670 1.876 12.774 821 2HA GLY 99 HA1 GLY 99 -12.350 1.520 12.370 822 H LEU 100 HN LEU 100 -9.818 -0.820 11.769 823 HA LEU 100 HA LEU 100 -11.161 -2.716 13.574 824 1HB LEU 100 HB2 LEU 100 -9.418 -2.874 11.265 825 2HB LEU 100 HB1 LEU 100 -8.789 -3.870 12.578 826 HG LEU 100 HG LEU 100 -10.401 -5.085 11.091 827 1HD1 LEU 100 HD11 LEU 100 -10.040 -5.672 13.509 828 2HD1 LEU 100 HD13 LEU 100 -11.434 -4.668 13.910 829 3HD1 LEU 100 HD12 LEU 100 -11.642 -6.104 12.909 830 1HD2 LEU 100 HD21 LEU 100 -11.811 -2.805 11.013 831 2HD2 LEU 100 HD23 LEU 100 -12.576 -4.378 10.784 832 3HD2 LEU 100 HD22 LEU 100 -12.649 -3.582 12.356 833 H ASN 101 HN ASN 101 -9.067 -4.235 14.551 834 HA ASN 101 HA ASN 101 -7.592 -2.276 16.267 835 1HB ASN 101 HB2 ASN 101 -8.879 -4.919 16.965 836 2HB ASN 101 HB1 ASN 101 -7.637 -4.193 17.984 837 1HD2 ASN 101 HD22 ASN 101 -11.410 -2.751 18.111 838 2HD2 ASN 101 HD21 ASN 101 -11.001 -4.110 17.180 839 H SER 102 HN SER 102 -7.226 -5.810 16.100 840 HA SER 102 HA SER 102 -4.352 -5.406 15.541 841 1HB SER 102 HB2 SER 102 -5.346 -8.168 15.699 842 2HB SER 102 HB1 SER 102 -4.042 -7.393 16.591 843 HG SER 102 HG SER 102 -5.650 -7.823 18.047 844 H CYS 103 HN CYS 103 -3.530 -7.387 13.999 845 HA CYS 103 HA CYS 103 -5.301 -7.951 11.762 846 1HB CYS 103 HB2 CYS 103 -3.968 -5.480 11.710 847 2HB CYS 103 HB1 CYS 103 -3.020 -6.520 10.652 848 HA PRO 104 HA PRO 104 -1.732 -10.788 12.784 849 1HB PRO 104 HB2 PRO 104 -3.630 -12.936 12.541 850 2HB PRO 104 HB1 PRO 104 -2.794 -12.381 13.998 851 1HG PRO 104 HG2 PRO 104 -5.576 -12.017 13.310 852 2HG PRO 104 HG1 PRO 104 -4.739 -11.487 14.775 853 1HD PRO 104 HD2 PRO 104 -5.673 -9.850 12.602 854 2HD PRO 104 HD1 PRO 104 -4.792 -9.332 14.054 855 H VAL 105 HN VAL 105 -0.983 -10.240 10.605 856 HA VAL 105 HA VAL 105 -2.291 -11.450 8.286 857 HB VAL 105 HB VAL 105 0.476 -10.217 8.503 858 1HG1 VAL 105 HG12 VAL 105 -0.906 -11.565 6.391 859 2HG1 VAL 105 HG11 VAL 105 -0.794 -9.857 5.972 860 3HG1 VAL 105 HG13 VAL 105 0.669 -10.771 6.333 861 1HG2 VAL 105 HG23 VAL 105 -2.240 -9.068 8.440 862 2HG2 VAL 105 HG22 VAL 105 -0.719 -8.331 8.948 863 3HG2 VAL 105 HG21 VAL 105 -1.142 -8.394 7.237 864 H LYS 106 HN LYS 106 -2.280 -13.713 8.847 865 HA LYS 106 HA LYS 106 0.403 -14.979 9.103 866 1HB LYS 106 HB2 LYS 106 -1.943 -15.454 10.462 867 2HB LYS 106 HB1 LYS 106 -1.971 -16.717 9.231 868 1HG LYS 106 HG2 LYS 106 0.223 -17.503 9.903 869 2HG LYS 106 HG1 LYS 106 0.407 -16.153 11.024 870 1HD LYS 106 HD2 LYS 106 -1.771 -17.041 12.121 871 2HD LYS 106 HD1 LYS 106 -1.438 -18.527 11.231 872 1HE LYS 106 HE2 LYS 106 0.800 -17.304 12.790 873 2HE LYS 106 HE1 LYS 106 -0.466 -18.145 13.685 874 1HZ LYS 106 HZ3 LYS 106 0.725 -19.418 11.318 875 2HZ LYS 106 HZ2 LYS 106 1.568 -19.450 12.793 876 3HZ LYS 106 HZ1 LYS 106 0.018 -20.135 12.682 877 H GLU 107 HN GLU 107 -2.662 -15.821 7.436 878 HA GLU 107 HA GLU 107 -1.526 -17.549 5.519 879 1HB GLU 107 HB2 GLU 107 -3.979 -17.242 5.896 880 2HB GLU 107 HB1 GLU 107 -3.876 -15.678 5.088 881 1HG GLU 107 HG2 GLU 107 -3.555 -16.615 3.005 882 2HG GLU 107 HG1 GLU 107 -2.760 -18.049 3.657 883 H ALA 108 HN ALA 108 0.386 -16.788 4.573 884 HA ALA 108 HA ALA 108 0.143 -15.011 2.331 885 1HB ALA 108 HB3 ALA 108 1.060 -13.876 4.942 886 2HB ALA 108 HB2 ALA 108 1.861 -13.329 3.469 887 3HB ALA 108 HB1 ALA 108 0.121 -13.115 3.660 888 H ASP 109 HN ASP 109 1.823 -15.460 0.962 889 HA ASP 109 HA ASP 109 4.120 -16.997 2.094 890 1HB ASP 109 HB2 ASP 109 3.818 -16.907 -0.837 891 2HB ASP 109 HB1 ASP 109 4.076 -18.293 0.224 892 H GLN 110 HN GLN 110 6.226 -16.606 0.757 893 HA GLN 110 HA GLN 110 6.755 -13.731 0.837 894 1HB GLN 110 HB2 GLN 110 8.301 -16.054 1.115 895 2HB GLN 110 HB1 GLN 110 8.868 -15.316 -0.383 896 1HG GLN 110 HG2 GLN 110 10.160 -14.086 1.051 897 2HG GLN 110 HG1 GLN 110 8.696 -13.110 1.176 898 1HE2 GLN 110 HE22 GLN 110 7.803 -14.949 4.313 899 2HE2 GLN 110 HE21 GLN 110 7.077 -14.771 2.789 900 H SER 111 HN SER 111 5.444 -12.908 -0.884 901 HA SER 111 HA SER 111 6.018 -13.874 -3.625 902 1HB SER 111 HB2 SER 111 4.060 -12.836 -4.261 903 2HB SER 111 HB1 SER 111 3.696 -13.072 -2.554 904 HG SER 111 HG SER 111 3.878 -10.991 -2.233 905 H THR 112 HN THR 112 5.728 -11.420 -4.985 906 HA THR 112 HA THR 112 8.198 -9.984 -4.097 907 HB THR 112 HB THR 112 8.727 -9.591 -6.433 908 HG1 THR 112 HG1 THR 112 6.435 -11.108 -7.090 909 1HG2 THR 112 HG23 THR 112 8.683 -12.106 -5.203 910 2HG2 THR 112 HG22 THR 112 8.067 -12.390 -6.830 911 3HG2 THR 112 HG21 THR 112 9.646 -11.638 -6.605 912 H LEU 113 HN LEU 113 8.215 -7.677 -4.448 913 HA LEU 113 HA LEU 113 5.630 -6.440 -4.022 914 1HB LEU 113 HB2 LEU 113 8.031 -5.706 -3.222 915 2HB LEU 113 HB1 LEU 113 8.064 -4.854 -4.766 916 HG LEU 113 HG LEU 113 5.661 -4.043 -4.010 917 1HD1 LEU 113 HD11 LEU 113 6.990 -5.000 -1.486 918 2HD1 LEU 113 HD13 LEU 113 5.886 -3.625 -1.441 919 3HD1 LEU 113 HD12 LEU 113 5.315 -5.198 -1.998 920 1HD2 LEU 113 HD22 LEU 113 8.191 -2.931 -4.056 921 2HD2 LEU 113 HD21 LEU 113 6.699 -2.043 -3.747 922 3HD2 LEU 113 HD23 LEU 113 7.671 -2.630 -2.399 923 H GLU 114 HN GLU 114 7.128 -7.449 -6.886 924 HA GLU 114 HA GLU 114 6.325 -5.213 -8.558 925 1HB GLU 114 HB2 GLU 114 7.517 -7.897 -8.959 926 2HB GLU 114 HB1 GLU 114 6.548 -7.286 -10.302 927 1HG GLU 114 HG2 GLU 114 7.863 -5.211 -10.332 928 2HG GLU 114 HG1 GLU 114 8.817 -5.783 -8.962 929 H ASN 115 HN ASN 115 5.045 -8.506 -8.048 930 HA ASN 115 HA ASN 115 2.604 -7.852 -9.541 931 1HB ASN 115 HB2 ASN 115 3.619 -10.131 -9.601 932 2HB ASN 115 HB1 ASN 115 3.254 -10.309 -7.884 933 1HD2 ASN 115 HD22 ASN 115 -0.035 -9.947 -10.334 934 2HD2 ASN 115 HD21 ASN 115 1.304 -8.936 -10.592 935 H PHE 116 HN PHE 116 3.660 -7.749 -6.225 936 HA PHE 116 HA PHE 116 0.989 -7.900 -5.071 937 1HB PHE 116 HB2 PHE 116 2.705 -8.498 -3.571 938 2HB PHE 116 HB1 PHE 116 3.713 -7.128 -4.034 939 HD1 PHE 116 HD1 PHE 116 0.704 -8.166 -2.134 940 HD2 PHE 116 HD2 PHE 116 3.371 -4.932 -3.081 941 HE1 PHE 116 HE1 PHE 116 -0.265 -6.825 -0.290 942 HE2 PHE 116 HE2 PHE 116 2.401 -3.591 -1.236 943 HZ PHE 116 HZ PHE 116 0.582 -4.537 0.160 944 H LEU 117 HN LEU 117 3.294 -5.243 -5.729 945 HA LEU 117 HA LEU 117 1.424 -3.192 -4.891 946 1HB LEU 117 HB2 LEU 117 4.147 -3.287 -5.584 947 2HB LEU 117 HB1 LEU 117 3.400 -2.250 -6.799 948 HG LEU 117 HG LEU 117 2.264 -1.021 -4.889 949 1HD1 LEU 117 HD13 LEU 117 2.665 -2.939 -3.266 950 2HD1 LEU 117 HD12 LEU 117 4.352 -2.427 -3.206 951 3HD1 LEU 117 HD11 LEU 117 3.079 -1.338 -2.653 952 1HD2 LEU 117 HD23 LEU 117 4.736 -0.672 -6.038 953 2HD2 LEU 117 HD22 LEU 117 3.984 0.472 -4.926 954 3HD2 LEU 117 HD21 LEU 117 5.144 -0.711 -4.322 955 H GLU 118 HN GLU 118 2.291 -4.678 -7.995 956 HA GLU 118 HA GLU 118 0.841 -2.894 -9.683 957 1HB GLU 118 HB2 GLU 118 2.253 -4.397 -10.821 958 2HB GLU 118 HB1 GLU 118 1.660 -5.786 -9.910 959 1HG GLU 118 HG2 GLU 118 -0.191 -6.042 -11.240 960 2HG GLU 118 HG1 GLU 118 -0.349 -4.310 -11.534 961 NH1 ARG 119 NH2 ARG 119 -5.969 -8.749 -9.817 962 NH2 ARG 119 NH1 ARG 119 -6.547 -9.284 -7.701 963 H ARG 119 HN ARG 119 -0.156 -5.930 -8.105 964 HA ARG 119 HA ARG 119 -2.872 -5.882 -9.018 965 1HB ARG 119 HB2 ARG 119 -1.522 -7.136 -6.618 966 2HB ARG 119 HB1 ARG 119 -3.252 -7.315 -6.916 967 1HG ARG 119 HG2 ARG 119 -1.241 -7.936 -9.074 968 2HG ARG 119 HG1 ARG 119 -1.670 -9.142 -7.859 969 1HD ARG 119 HD2 ARG 119 -3.586 -7.729 -9.737 970 2HD ARG 119 HD1 ARG 119 -3.103 -9.423 -9.817 971 HE ARG 119 HE ARG 119 -4.140 -9.136 -7.261 972 1HH1 ARG 119 HH21 ARG 119 -5.278 -8.526 -10.503 973 2HH1 ARG 119 HH22 ARG 119 -6.933 -8.791 -10.080 974 1HH2 ARG 119 HH11 ARG 119 -6.294 -9.473 -6.752 975 2HH2 ARG 119 HH12 ARG 119 -7.507 -9.321 -7.980 976 H LEU 120 HN LEU 120 -1.209 -4.258 -6.376 977 HA LEU 120 HA LEU 120 -3.488 -3.480 -4.856 978 1HB LEU 120 HB2 LEU 120 -0.676 -2.696 -5.048 979 2HB LEU 120 HB1 LEU 120 -1.728 -1.329 -4.680 980 HG LEU 120 HG LEU 120 -2.481 -3.695 -3.157 981 1HD1 LEU 120 HD13 LEU 120 0.381 -2.849 -3.221 982 2HD1 LEU 120 HD12 LEU 120 -0.325 -3.213 -1.647 983 3HD1 LEU 120 HD11 LEU 120 -0.311 -4.441 -2.913 984 1HD2 LEU 120 HD22 LEU 120 -2.968 -1.145 -2.859 985 2HD2 LEU 120 HD21 LEU 120 -2.682 -2.124 -1.422 986 3HD2 LEU 120 HD23 LEU 120 -1.394 -1.107 -2.067 987 H LYS 121 HN LYS 121 -1.751 -1.653 -7.402 988 HA LYS 121 HA LYS 121 -3.480 0.558 -7.599 989 1HB LYS 121 HB2 LYS 121 -1.280 0.047 -8.881 990 2HB LYS 121 HB1 LYS 121 -2.322 -0.779 -10.040 991 1HG LYS 121 HG2 LYS 121 -3.507 1.751 -9.416 992 2HG LYS 121 HG1 LYS 121 -1.814 2.020 -9.833 993 1HD LYS 121 HD2 LYS 121 -3.771 0.403 -11.493 994 2HD LYS 121 HD1 LYS 121 -3.289 2.064 -11.837 995 1HE LYS 121 HE2 LYS 121 -0.974 0.348 -11.415 996 2HE LYS 121 HE1 LYS 121 -1.992 -0.249 -12.725 997 1HZ LYS 121 HZ2 LYS 121 -2.006 2.195 -13.466 998 2HZ LYS 121 HZ1 LYS 121 -0.636 2.356 -12.474 999 3HZ LYS 121 HZ3 LYS 121 -0.617 1.265 -13.771 1000 H THR 122 HN THR 122 -3.555 -2.368 -9.551 1001 HA THR 122 HA THR 122 -5.803 -1.993 -11.097 1002 HB THR 122 HB THR 122 -5.949 -4.678 -10.120 1003 HG1 THR 122 HG1 THR 122 -3.433 -4.593 -10.939 1004 1HG2 THR 122 HG21 THR 122 -4.742 -3.385 -12.573 1005 2HG2 THR 122 HG23 THR 122 -4.968 -5.124 -12.391 1006 3HG2 THR 122 HG22 THR 122 -6.368 -4.051 -12.415 1007 H ILE 123 HN ILE 123 -5.800 -3.123 -7.738 1008 HA ILE 123 HA ILE 123 -8.674 -3.478 -7.644 1009 HB ILE 123 HB ILE 123 -6.632 -3.214 -5.425 1010 1HG1 ILE 123 HG12 ILE 123 -6.262 -5.160 -6.880 1011 2HG1 ILE 123 HG11 ILE 123 -6.888 -5.688 -5.319 1012 1HG2 ILE 123 HG23 ILE 123 -9.541 -4.071 -5.391 1013 2HG2 ILE 123 HG22 ILE 123 -8.424 -4.307 -4.047 1014 3HG2 ILE 123 HG21 ILE 123 -8.841 -2.675 -4.571 1015 1HD1 ILE 123 HD12 ILE 123 -9.200 -5.250 -6.766 1016 2HD1 ILE 123 HD11 ILE 123 -8.102 -5.892 -7.987 1017 3HD1 ILE 123 HD13 ILE 123 -8.437 -6.822 -6.526 1018 H MET 124 HN MET 124 -6.522 -0.805 -6.729 1019 HA MET 124 HA MET 124 -8.468 0.716 -5.304 1020 1HB MET 124 HB2 MET 124 -6.129 1.752 -6.932 1021 2HB MET 124 HB1 MET 124 -7.009 2.654 -5.701 1022 1HG MET 124 HG2 MET 124 -5.535 0.062 -5.167 1023 2HG MET 124 HG1 MET 124 -4.864 1.662 -4.872 1024 1HE MET 124 HE3 MET 124 -4.802 2.702 -3.218 1025 2HE MET 124 HE2 MET 124 -6.295 3.420 -2.644 1026 3HE MET 124 HE1 MET 124 -5.406 2.307 -1.608 1027 NH1 ARG 125 NH2 ARG 125 -7.626 6.407 -12.754 1028 NH2 ARG 125 NH1 ARG 125 -9.534 7.224 -11.860 1029 H ARG 125 HN ARG 125 -7.637 0.677 -8.761 1030 HA ARG 125 HA ARG 125 -9.620 2.760 -9.336 1031 1HB ARG 125 HB2 ARG 125 -7.567 2.696 -10.647 1032 2HB ARG 125 HB1 ARG 125 -7.917 1.046 -11.161 1033 1HG ARG 125 HG2 ARG 125 -9.243 1.781 -12.825 1034 2HG ARG 125 HG1 ARG 125 -10.187 2.757 -11.699 1035 1HD ARG 125 HD2 ARG 125 -7.530 3.878 -12.248 1036 2HD ARG 125 HD1 ARG 125 -8.545 3.759 -13.685 1037 HE ARG 125 HE ARG 125 -10.219 4.870 -11.778 1038 1HH1 ARG 125 HH21 ARG 125 -7.066 5.641 -13.064 1039 2HH1 ARG 125 HH22 ARG 125 -7.271 7.339 -12.824 1040 1HH2 ARG 125 HH11 ARG 125 -10.448 7.079 -11.481 1041 2HH2 ARG 125 HH12 ARG 125 -9.164 8.150 -11.934 1042 H GLU 126 HN GLU 126 -9.220 -0.579 -10.548 1043 HA GLU 126 HA GLU 126 -11.716 -0.834 -11.775 1044 1HB GLU 126 HB2 GLU 126 -9.947 -2.521 -11.977 1045 2HB GLU 126 HB1 GLU 126 -10.179 -2.982 -10.290 1046 1HG GLU 126 HG2 GLU 126 -11.855 -4.361 -10.874 1047 2HG GLU 126 HG1 GLU 126 -12.726 -3.014 -11.607 1048 H LYS 127 HN LYS 127 -10.993 -1.065 -8.316 1049 HA LYS 127 HA LYS 127 -13.721 -2.048 -7.765 1050 1HB LYS 127 HB2 LYS 127 -11.731 -2.827 -6.440 1051 2HB LYS 127 HB1 LYS 127 -11.600 -1.196 -5.781 1052 1HG LYS 127 HG2 LYS 127 -12.879 -2.453 -4.194 1053 2HG LYS 127 HG1 LYS 127 -14.022 -1.419 -5.047 1054 1HD LYS 127 HD2 LYS 127 -15.198 -3.292 -5.498 1055 2HD LYS 127 HD1 LYS 127 -13.910 -3.710 -6.626 1056 1HE LYS 127 HE2 LYS 127 -13.355 -5.474 -5.348 1057 2HE LYS 127 HE1 LYS 127 -13.037 -4.399 -3.988 1058 1HZ LYS 127 HZ1 LYS 127 -15.815 -5.070 -4.649 1059 2HZ LYS 127 HZ3 LYS 127 -14.871 -6.221 -3.833 1060 3HZ LYS 127 HZ2 LYS 127 -15.124 -4.687 -3.145 1061 OH TYR 128 OH TYR 128 -10.852 0.104 -1.326 1062 H TYR 128 HN TYR 128 -11.826 0.932 -7.175 1063 HA TYR 128 HA TYR 128 -14.253 2.207 -6.084 1064 1HB TYR 128 HB2 TYR 128 -11.485 3.361 -6.490 1065 2HB TYR 128 HB1 TYR 128 -12.796 4.093 -5.563 1066 HD1 TYR 128 HD2 TYR 128 -13.956 1.688 -4.243 1067 HD2 TYR 128 HD1 TYR 128 -9.859 2.849 -4.827 1068 HE1 TYR 128 HE2 TYR 128 -13.300 0.356 -2.267 1069 HE2 TYR 128 HE1 TYR 128 -9.209 1.513 -2.841 1070 HH TYR 128 HH TYR 128 -11.531 0.217 -0.658 1071 H SER 129 HN SER 129 -13.855 1.473 -9.054 1072 HA SER 129 HA SER 129 -13.804 4.046 -10.409 1073 1HB SER 129 HB2 SER 129 -13.791 1.288 -11.163 1074 2HB SER 129 HB1 SER 129 -15.143 2.069 -11.979 1075 HG SER 129 HG SER 129 -12.506 2.275 -12.462 1076 H LYS 130 HN LYS 130 -16.131 2.449 -8.506 1077 HA LYS 130 HA LYS 130 -18.391 3.773 -9.916 1078 1HB LYS 130 HB2 LYS 130 -18.715 1.392 -9.466 1079 2HB LYS 130 HB1 LYS 130 -18.340 1.641 -7.760 1080 1HG LYS 130 HG2 LYS 130 -20.311 3.012 -7.459 1081 2HG LYS 130 HG1 LYS 130 -20.641 2.999 -9.191 1082 1HD LYS 130 HD2 LYS 130 -22.085 1.328 -8.428 1083 2HD LYS 130 HD1 LYS 130 -20.664 0.389 -8.887 1084 1HE LYS 130 HE2 LYS 130 -19.872 0.591 -6.493 1085 2HE LYS 130 HE1 LYS 130 -21.442 1.290 -6.103 1086 1HZ LYS 130 HZ2 LYS 130 -22.396 -0.773 -7.202 1087 2HZ LYS 130 HZ1 LYS 130 -20.835 -1.433 -7.078 1088 3HZ LYS 130 HZ3 LYS 130 -21.675 -0.976 -5.677 1089 H CYS 131 HN CYS 131 -17.384 3.159 -6.534 1090 HA CYS 131 HA CYS 131 -18.945 5.244 -5.391 1091 1HB CYS 131 HB2 CYS 131 -17.920 3.490 -4.012 1092 2HB CYS 131 HB1 CYS 131 -16.310 4.079 -4.431 1093 H SER 132 HN SER 132 -15.658 5.255 -6.724 1094 HA SER 132 HA SER 132 -15.617 8.223 -6.358 1095 1HB SER 132 HB2 SER 132 -13.555 6.123 -6.132 1096 2HB SER 132 HB1 SER 132 -13.048 7.548 -7.035 1097 HG SER 132 HG SER 132 -14.439 7.848 -4.614 1098 H SER 133 HN SER 133 -14.144 9.243 -8.189 1099 HA SER 133 HA SER 133 -14.890 7.971 -10.792 1100 1HB SER 133 HB2 SER 133 -14.658 10.911 -10.774 1101 2HB SER 133 HB1 SER 133 -15.863 9.883 -11.544 1102 HG SER 133 HG SER 133 -17.091 10.067 -9.840 Start of MODEL 9 Raw file had 1102 H/Q atoms Start of MODEL 9 1 1H GLU 1 HT2 GLU 1 -25.433 23.569 0.220 2 2H GLU 1 HT1 GLU 1 -25.829 23.492 -1.430 3 3H GLU 1 HT3 GLU 1 -26.202 22.190 -0.409 4 HA GLU 1 HA GLU 1 -24.319 21.429 -1.470 5 1HB GLU 1 HB2 GLU 1 -22.294 23.042 -1.633 6 2HB GLU 1 HB1 GLU 1 -23.647 23.309 -2.733 7 1HG GLU 1 HG2 GLU 1 -24.404 25.181 -1.566 8 2HG GLU 1 HG1 GLU 1 -23.631 24.680 -0.062 9 H ALA 2 HN ALA 2 -25.054 21.004 1.095 10 HA ALA 2 HA ALA 2 -22.451 21.135 2.549 11 1HB ALA 2 HB1 ALA 2 -24.830 22.498 3.274 12 2HB ALA 2 HB3 ALA 2 -24.654 21.156 4.404 13 3HB ALA 2 HB2 ALA 2 -23.354 22.335 4.225 14 H GLU 3 HN GLU 3 -23.589 18.975 0.976 15 HA GLU 3 HA GLU 3 -24.557 17.041 3.003 16 1HB GLU 3 HB2 GLU 3 -24.486 17.162 0.022 17 2HB GLU 3 HB1 GLU 3 -24.426 15.564 0.768 18 1HG GLU 3 HG2 GLU 3 -26.597 15.665 1.394 19 2HG GLU 3 HG1 GLU 3 -26.421 17.309 2.010 20 H ALA 4 HN ALA 4 -23.479 14.680 2.291 21 HA ALA 4 HA ALA 4 -20.576 14.905 1.911 22 1HB ALA 4 HB1 ALA 4 -21.427 15.227 4.481 23 2HB ALA 4 HB3 ALA 4 -21.251 13.473 4.417 24 3HB ALA 4 HB2 ALA 4 -19.874 14.512 4.050 25 H HIS 5 HN HIS 5 -19.582 12.746 1.698 26 HA HIS 5 HA HIS 5 -21.582 10.556 1.328 27 1HB HIS 5 HB2 HIS 5 -19.777 11.787 -0.638 28 2HB HIS 5 HB1 HIS 5 -19.618 10.034 -0.552 29 HD1 HIS 5 HD1 HIS 5 -20.761 10.177 -3.023 30 HD2 HIS 5 HD2 HIS 5 -23.219 11.151 0.200 31 HE1 HIS 5 HE1 HIS 5 -23.142 10.063 -3.878 32 H LYS 6 HN LYS 6 -19.983 8.464 0.764 33 HA LYS 6 HA LYS 6 -17.763 8.488 2.742 34 1HB LYS 6 HB2 LYS 6 -18.573 6.304 3.645 35 2HB LYS 6 HB1 LYS 6 -19.670 7.643 3.986 36 1HG LYS 6 HG2 LYS 6 -20.234 6.353 1.421 37 2HG LYS 6 HG1 LYS 6 -20.382 5.244 2.785 38 1HD LYS 6 HD2 LYS 6 -22.207 6.316 3.621 39 2HD LYS 6 HD1 LYS 6 -21.563 7.913 3.238 40 1HE LYS 6 HE2 LYS 6 -23.492 7.584 1.838 41 2HE LYS 6 HE1 LYS 6 -22.071 7.425 0.804 42 1HZ LYS 6 HZ2 LYS 6 -23.569 5.175 2.036 43 2HZ LYS 6 HZ1 LYS 6 -23.669 5.652 0.409 44 3HZ LYS 6 HZ3 LYS 6 -22.215 5.031 1.020 45 H CYS 7 HN CYS 7 -17.098 8.593 0.226 46 HA CYS 7 HA CYS 7 -15.690 6.168 -0.316 47 1HB CYS 7 HB2 CYS 7 -17.648 5.086 -1.043 48 2HB CYS 7 HB1 CYS 7 -18.308 6.558 -1.756 49 H ASP 8 HN ASP 8 -17.162 9.083 -1.692 50 HA ASP 8 HA ASP 8 -15.106 9.302 -3.764 51 1HB ASP 8 HB2 ASP 8 -17.675 10.429 -3.269 52 2HB ASP 8 HB1 ASP 8 -16.524 11.762 -3.371 53 H ILE 9 HN ILE 9 -15.388 10.290 -0.456 54 HA ILE 9 HA ILE 9 -13.441 12.478 -0.835 55 HB ILE 9 HB ILE 9 -14.664 11.465 1.743 56 1HG1 ILE 9 HG12 ILE 9 -15.634 13.376 -0.366 57 2HG1 ILE 9 HG11 ILE 9 -16.542 12.163 0.536 58 1HG2 ILE 9 HG23 ILE 9 -12.549 12.912 1.768 59 2HG2 ILE 9 HG22 ILE 9 -13.545 14.196 1.083 60 3HG2 ILE 9 HG21 ILE 9 -13.928 13.536 2.673 61 1HD1 ILE 9 HD12 ILE 9 -16.018 13.583 2.622 62 2HD1 ILE 9 HD11 ILE 9 -15.568 14.855 1.487 63 3HD1 ILE 9 HD13 ILE 9 -17.213 14.221 1.492 64 H THR 10 HN THR 10 -13.569 9.829 1.567 65 HA THR 10 HA THR 10 -10.692 9.883 1.885 66 HB THR 10 HB THR 10 -12.532 7.684 2.818 67 HG1 THR 10 HG1 THR 10 -13.253 8.978 4.355 68 1HG2 THR 10 HG22 THR 10 -9.886 7.824 3.044 69 2HG2 THR 10 HG21 THR 10 -10.295 8.878 4.396 70 3HG2 THR 10 HG23 THR 10 -10.883 7.215 4.364 71 H LEU 11 HN LEU 11 -12.917 7.716 0.130 72 HA LEU 11 HA LEU 11 -10.799 5.810 -0.434 73 1HB LEU 11 HB2 LEU 11 -13.578 5.783 -0.636 74 2HB LEU 11 HB1 LEU 11 -13.024 5.709 -2.310 75 HG LEU 11 HG LEU 11 -11.502 3.839 -1.708 76 1HD1 LEU 11 HD12 LEU 11 -12.306 4.653 0.971 77 2HD1 LEU 11 HD11 LEU 11 -12.551 2.925 0.717 78 3HD1 LEU 11 HD13 LEU 11 -10.956 3.636 0.471 79 1HD2 LEU 11 HD21 LEU 11 -14.448 3.551 -1.077 80 2HD2 LEU 11 HD23 LEU 11 -13.616 3.159 -2.584 81 3HD2 LEU 11 HD22 LEU 11 -13.358 2.165 -1.150 82 H GLN 12 HN GLN 12 -12.102 8.626 -2.141 83 HA GLN 12 HA GLN 12 -10.695 7.994 -4.605 84 1HB GLN 12 HB2 GLN 12 -11.847 9.742 -5.448 85 2HB GLN 12 HB1 GLN 12 -12.661 9.817 -3.891 86 1HG GLN 12 HG2 GLN 12 -10.943 11.404 -3.071 87 2HG GLN 12 HG1 GLN 12 -10.139 11.338 -4.642 88 1HE2 GLN 12 HE22 GLN 12 -13.086 12.928 -6.244 89 2HE2 GLN 12 HE21 GLN 12 -12.211 11.489 -6.453 90 H GLU 13 HN GLU 13 -10.016 10.045 -1.780 91 HA GLU 13 HA GLU 13 -7.542 11.098 -2.821 92 1HB GLU 13 HB2 GLU 13 -8.912 11.005 -0.189 93 2HB GLU 13 HB1 GLU 13 -7.156 11.170 -0.132 94 1HG GLU 13 HG2 GLU 13 -8.469 12.884 -2.140 95 2HG GLU 13 HG1 GLU 13 -8.894 13.266 -0.472 96 H ILE 14 HN ILE 14 -8.426 8.177 -1.072 97 HA ILE 14 HA ILE 14 -5.717 7.335 -0.497 98 HB ILE 14 HB ILE 14 -8.427 6.289 -0.174 99 1HG1 ILE 14 HG12 ILE 14 -6.059 5.237 1.307 100 2HG1 ILE 14 HG11 ILE 14 -6.424 6.955 1.474 101 1HG2 ILE 14 HG22 ILE 14 -6.206 4.381 -0.967 102 2HG2 ILE 14 HG21 ILE 14 -7.682 3.881 -0.146 103 3HG2 ILE 14 HG23 ILE 14 -7.770 4.584 -1.760 104 1HD1 ILE 14 HD12 ILE 14 -8.674 4.996 1.724 105 2HD1 ILE 14 HD11 ILE 14 -7.558 5.168 3.079 106 3HD1 ILE 14 HD13 ILE 14 -8.463 6.565 2.499 107 H ILE 15 HN ILE 15 -7.889 7.009 -3.239 108 HA ILE 15 HA ILE 15 -6.430 4.911 -4.578 109 HB ILE 15 HB ILE 15 -8.410 7.001 -5.499 110 1HG1 ILE 15 HG12 ILE 15 -8.717 4.023 -5.707 111 2HG1 ILE 15 HG11 ILE 15 -8.900 4.787 -4.127 112 1HG2 ILE 15 HG23 ILE 15 -6.665 5.175 -7.092 113 2HG2 ILE 15 HG22 ILE 15 -8.347 5.338 -7.595 114 3HG2 ILE 15 HG21 ILE 15 -7.311 6.763 -7.512 115 1HD1 ILE 15 HD11 ILE 15 -10.360 6.443 -5.813 116 2HD1 ILE 15 HD13 ILE 15 -10.707 4.827 -6.425 117 3HD1 ILE 15 HD12 ILE 15 -11.032 5.218 -4.737 118 H LYS 16 HN LYS 16 -6.360 8.465 -4.797 119 HA LYS 16 HA LYS 16 -4.453 8.629 -6.912 120 1HB LYS 16 HB2 LYS 16 -5.715 10.434 -5.033 121 2HB LYS 16 HB1 LYS 16 -4.005 10.829 -5.213 122 1HG LYS 16 HG2 LYS 16 -4.256 11.501 -7.372 123 2HG LYS 16 HG1 LYS 16 -5.389 10.200 -7.743 124 1HD LYS 16 HD2 LYS 16 -6.344 12.329 -5.891 125 2HD LYS 16 HD1 LYS 16 -6.167 12.766 -7.591 126 1HE LYS 16 HE2 LYS 16 -7.404 10.371 -7.857 127 2HE LYS 16 HE1 LYS 16 -8.074 10.888 -6.310 128 1HZ LYS 16 HZ2 LYS 16 -8.130 13.117 -7.917 129 2HZ LYS 16 HZ1 LYS 16 -8.646 11.848 -8.922 130 3HZ LYS 16 HZ3 LYS 16 -9.457 12.158 -7.465 131 H THR 17 HN THR 17 -4.016 8.629 -3.376 132 HA THR 17 HA THR 17 -1.190 8.920 -3.368 133 HB THR 17 HB THR 17 -2.619 7.184 -1.364 134 HG1 THR 17 HG1 THR 17 -3.692 8.850 -0.617 135 1HG2 THR 17 HG22 THR 17 -0.190 7.573 -1.141 136 2HG2 THR 17 HG21 THR 17 -0.472 9.314 -1.144 137 3HG2 THR 17 HG23 THR 17 -1.082 8.324 0.182 138 H LEU 18 HN LEU 18 -3.207 5.991 -3.569 139 HA LEU 18 HA LEU 18 -1.107 4.092 -3.426 140 1HB LEU 18 HB2 LEU 18 -3.573 3.602 -3.362 141 2HB LEU 18 HB1 LEU 18 -3.600 3.816 -5.112 142 HG LEU 18 HG LEU 18 -1.413 2.085 -4.390 143 1HD1 LEU 18 HD11 LEU 18 -3.370 1.802 -2.517 144 2HD1 LEU 18 HD13 LEU 18 -3.911 0.654 -3.741 145 3HD1 LEU 18 HD12 LEU 18 -2.304 0.496 -3.033 146 1HD2 LEU 18 HD23 LEU 18 -3.309 2.373 -6.421 147 2HD2 LEU 18 HD22 LEU 18 -2.068 1.124 -6.320 148 3HD2 LEU 18 HD21 LEU 18 -3.684 0.812 -5.690 149 H ASN 19 HN ASN 19 -2.373 5.962 -6.153 150 HA ASN 19 HA ASN 19 -0.791 4.591 -8.158 151 1HB ASN 19 HB2 ASN 19 -2.897 6.014 -8.535 152 2HB ASN 19 HB1 ASN 19 -1.842 7.418 -8.370 153 1HD2 ASN 19 HD22 ASN 19 -1.478 7.031 -11.906 154 2HD2 ASN 19 HD21 ASN 19 -2.280 7.908 -10.694 155 H SER 20 HN SER 20 -0.209 7.259 -5.959 156 HA SER 20 HA SER 20 2.047 8.383 -7.340 157 1HB SER 20 HB2 SER 20 1.117 8.444 -4.472 158 2HB SER 20 HB1 SER 20 2.638 9.191 -4.952 159 HG SER 20 HG SER 20 0.383 10.341 -5.055 160 H LEU 21 HN LEU 21 1.776 5.875 -4.816 161 HA LEU 21 HA LEU 21 4.626 5.485 -4.574 162 1HB LEU 21 HB2 LEU 21 2.235 3.790 -3.839 163 2HB LEU 21 HB1 LEU 21 3.889 3.233 -3.577 164 HG LEU 21 HG LEU 21 2.983 5.931 -2.575 165 1HD1 LEU 21 HD11 LEU 21 2.419 3.208 -1.476 166 2HD1 LEU 21 HD13 LEU 21 2.867 4.477 -0.337 167 3HD1 LEU 21 HD12 LEU 21 1.454 4.681 -1.372 168 1HD2 LEU 21 HD22 LEU 21 5.448 4.922 -2.738 169 2HD2 LEU 21 HD21 LEU 21 4.947 5.885 -1.346 170 3HD2 LEU 21 HD23 LEU 21 4.962 4.124 -1.241 171 H THR 22 HN THR 22 2.472 4.658 -7.103 172 HA THR 22 HA THR 22 3.948 2.242 -7.897 173 HB THR 22 HB THR 22 1.374 2.998 -8.288 174 HG1 THR 22 HG1 THR 22 3.108 1.292 -9.688 175 1HG2 THR 22 HG22 THR 22 2.284 4.800 -9.881 176 2HG2 THR 22 HG21 THR 22 2.672 3.471 -10.973 177 3HG2 THR 22 HG23 THR 22 0.998 3.765 -10.502 178 H GLU 23 HN GLU 23 4.384 5.601 -8.329 179 HA GLU 23 HA GLU 23 5.271 5.812 -10.991 180 1HB GLU 23 HB2 GLU 23 6.119 7.854 -10.373 181 2HB GLU 23 HB1 GLU 23 5.153 7.544 -8.931 182 1HG GLU 23 HG2 GLU 23 7.205 6.444 -7.921 183 2HG GLU 23 HG1 GLU 23 8.121 7.074 -9.291 184 H GLN 24 HN GLN 24 6.892 4.423 -8.188 185 HA GLN 24 HA GLN 24 9.073 3.524 -10.026 186 1HB GLN 24 HB2 GLN 24 9.547 5.346 -8.125 187 2HB GLN 24 HB1 GLN 24 9.665 3.899 -7.127 188 1HG GLN 24 HG2 GLN 24 11.826 3.876 -7.861 189 2HG GLN 24 HG1 GLN 24 11.119 3.123 -9.291 190 1HE2 GLN 24 HE22 GLN 24 12.038 7.135 -9.512 191 2HE2 GLN 24 HE21 GLN 24 11.576 6.480 -8.017 192 H LYS 25 HN LYS 25 7.523 1.652 -10.152 193 HA LYS 25 HA LYS 25 7.726 -0.109 -7.747 194 1HB LYS 25 HB2 LYS 25 5.822 -1.366 -8.789 195 2HB LYS 25 HB1 LYS 25 5.417 0.303 -8.390 196 1HG LYS 25 HG2 LYS 25 5.383 0.973 -10.610 197 2HG LYS 25 HG1 LYS 25 6.507 -0.289 -11.116 198 1HD LYS 25 HD2 LYS 25 3.868 -1.158 -10.026 199 2HD LYS 25 HD1 LYS 25 3.889 -0.453 -11.643 200 1HE LYS 25 HE2 LYS 25 5.480 -2.090 -12.418 201 2HE LYS 25 HE1 LYS 25 5.730 -2.698 -10.781 202 1HZ LYS 25 HZ2 LYS 25 3.003 -2.801 -11.267 203 2HZ LYS 25 HZ1 LYS 25 3.753 -3.433 -12.655 204 3HZ LYS 25 HZ3 LYS 25 4.079 -4.108 -11.133 205 H THR 26 HN THR 26 10.036 -0.084 -9.118 206 HA THR 26 HA THR 26 10.018 -2.741 -10.434 207 HB THR 26 HB THR 26 10.215 -1.752 -12.468 208 HG1 THR 26 HG1 THR 26 12.257 -1.813 -12.912 209 1HG2 THR 26 HG22 THR 26 10.881 0.742 -10.897 210 2HG2 THR 26 HG21 THR 26 10.926 0.703 -12.660 211 3HG2 THR 26 HG23 THR 26 9.413 0.389 -11.809 212 H LEU 27 HN LEU 27 12.072 -0.027 -9.346 213 HA LEU 27 HA LEU 27 14.297 -1.868 -8.799 214 1HB LEU 27 HB2 LEU 27 14.315 0.705 -9.510 215 2HB LEU 27 HB1 LEU 27 14.255 0.938 -7.762 216 HG LEU 27 HG LEU 27 16.187 -0.810 -7.698 217 1HD1 LEU 27 HD11 LEU 27 15.730 -1.090 -10.315 218 2HD1 LEU 27 HD13 LEU 27 16.861 0.261 -10.407 219 3HD1 LEU 27 HD12 LEU 27 17.354 -1.250 -9.646 220 1HD2 LEU 27 HD21 LEU 27 16.093 1.952 -7.697 221 2HD2 LEU 27 HD23 LEU 27 17.524 0.988 -7.327 222 3HD2 LEU 27 HD22 LEU 27 17.278 1.613 -8.958 223 H CYS 28 HN CYS 28 12.122 0.200 -6.866 224 HA CYS 28 HA CYS 28 13.106 -0.932 -4.362 225 1HB CYS 28 HB2 CYS 28 11.634 1.336 -5.065 226 2HB CYS 28 HB1 CYS 28 10.488 0.328 -4.179 227 H THR 29 HN THR 29 10.958 -2.062 -6.751 228 HA THR 29 HA THR 29 9.294 -3.582 -4.850 229 HB THR 29 HB THR 29 8.283 -4.513 -6.964 230 HG1 THR 29 HG1 THR 29 10.184 -4.158 -8.229 231 1HG2 THR 29 HG23 THR 29 8.429 -1.527 -6.533 232 2HG2 THR 29 HG22 THR 29 7.315 -2.273 -7.678 233 3HG2 THR 29 HG21 THR 29 7.191 -2.642 -5.958 234 H GLU 30 HN GLU 30 12.392 -3.956 -5.652 235 HA GLU 30 HA GLU 30 12.287 -6.798 -6.429 236 1HB GLU 30 HB2 GLU 30 14.278 -4.640 -6.474 237 2HB GLU 30 HB1 GLU 30 14.941 -6.177 -5.919 238 1HG GLU 30 HG2 GLU 30 13.149 -6.225 -8.304 239 2HG GLU 30 HG1 GLU 30 14.781 -5.589 -8.517 240 H LEU 31 HN LEU 31 11.053 -6.555 -4.049 241 HA LEU 31 HA LEU 31 12.836 -8.024 -2.247 242 1HB LEU 31 HB2 LEU 31 12.063 -6.554 -0.290 243 2HB LEU 31 HB1 LEU 31 13.294 -5.868 -1.345 244 HG LEU 31 HG LEU 31 10.851 -5.119 -2.519 245 1HD1 LEU 31 HD13 LEU 31 10.694 -5.294 0.450 246 2HD1 LEU 31 HD12 LEU 31 10.081 -3.819 -0.294 247 3HD1 LEU 31 HD11 LEU 31 9.404 -5.381 -0.750 248 1HD2 LEU 31 HD21 LEU 31 12.927 -3.742 -0.818 249 2HD2 LEU 31 HD23 LEU 31 12.697 -3.644 -2.564 250 3HD2 LEU 31 HD22 LEU 31 11.554 -2.852 -1.479 251 H THR 32 HN THR 32 11.527 -9.774 -2.417 252 HA THR 32 HA THR 32 8.823 -10.072 -2.714 253 HB THR 32 HB THR 32 9.030 -12.198 -1.408 254 HG1 THR 32 HG1 THR 32 10.556 -12.330 0.000 255 1HG2 THR 32 HG23 THR 32 9.818 -11.869 -3.812 256 2HG2 THR 32 HG22 THR 32 11.448 -11.721 -3.156 257 3HG2 THR 32 HG21 THR 32 10.545 -13.221 -2.945 258 H VAL 33 HN VAL 33 7.097 -10.647 -1.173 259 HA VAL 33 HA VAL 33 7.293 -9.658 1.589 260 HB VAL 33 HB VAL 33 5.329 -8.095 1.232 261 1HG1 VAL 33 HG11 VAL 33 7.778 -7.390 1.386 262 2HG1 VAL 33 HG13 VAL 33 7.765 -7.288 -0.375 263 3HG1 VAL 33 HG12 VAL 33 6.703 -6.248 0.577 264 1HG2 VAL 33 HG22 VAL 33 4.959 -9.238 -1.116 265 2HG2 VAL 33 HG21 VAL 33 4.607 -7.521 -0.910 266 3HG2 VAL 33 HG23 VAL 33 6.120 -8.029 -1.664 267 H THR 34 HN THR 34 4.683 -9.657 2.308 268 HA THR 34 HA THR 34 3.939 -12.455 1.875 269 HB THR 34 HB THR 34 3.335 -10.381 3.806 270 HG1 THR 34 HG1 THR 34 4.092 -12.676 3.963 271 1HG2 THR 34 HG21 THR 34 0.976 -11.929 2.687 272 2HG2 THR 34 HG23 THR 34 0.958 -11.012 4.192 273 3HG2 THR 34 HG22 THR 34 1.183 -10.176 2.660 274 H ASP 35 HN ASP 35 1.946 -13.143 0.918 275 HA ASP 35 HA ASP 35 0.901 -11.205 -1.088 276 1HB ASP 35 HB2 ASP 35 1.814 -13.656 -1.590 277 2HB ASP 35 HB1 ASP 35 0.175 -14.107 -1.129 278 H ILE 36 HN ILE 36 -0.550 -10.102 0.324 279 HA ILE 36 HA ILE 36 -2.452 -11.472 1.995 280 HB ILE 36 HB ILE 36 -3.422 -9.331 2.367 281 1HG1 ILE 36 HG12 ILE 36 -2.155 -8.567 -0.280 282 2HG1 ILE 36 HG11 ILE 36 -3.879 -8.645 0.092 283 1HG2 ILE 36 HG21 ILE 36 -0.793 -9.745 2.754 284 2HG2 ILE 36 HG23 ILE 36 -0.697 -8.367 1.657 285 3HG2 ILE 36 HG22 ILE 36 -1.580 -8.224 3.176 286 1HD1 ILE 36 HD11 ILE 36 -3.499 -6.867 1.839 287 2HD1 ILE 36 HD13 ILE 36 -1.851 -6.706 1.235 288 3HD1 ILE 36 HD12 ILE 36 -3.216 -6.321 0.187 289 H PHE 37 HN PHE 37 -2.318 -11.138 -1.412 290 HA PHE 37 HA PHE 37 -5.263 -11.282 -1.713 291 1HB PHE 37 HB2 PHE 37 -3.077 -11.188 -3.813 292 2HB PHE 37 HB1 PHE 37 -4.810 -11.070 -4.119 293 HD1 PHE 37 HD2 PHE 37 -6.074 -9.213 -2.724 294 HD2 PHE 37 HD1 PHE 37 -1.855 -9.225 -3.524 295 HE1 PHE 37 HE2 PHE 37 -5.985 -6.773 -2.291 296 HE2 PHE 37 HE1 PHE 37 -1.765 -6.784 -3.091 297 HZ PHE 37 HZ PHE 37 -3.831 -5.560 -2.474 298 H ALA 38 HN ALA 38 -3.758 -13.515 -0.504 299 HA ALA 38 HA ALA 38 -4.340 -15.592 -2.577 300 1HB ALA 38 HB3 ALA 38 -1.872 -15.171 -1.702 301 2HB ALA 38 HB2 ALA 38 -2.430 -16.134 -0.335 302 3HB ALA 38 HB1 ALA 38 -2.465 -16.812 -1.962 303 H ALA 39 HN ALA 39 -5.914 -14.324 -0.187 304 HA ALA 39 HA ALA 39 -7.174 -16.813 0.630 305 1HB ALA 39 HB3 ALA 39 -5.256 -15.413 2.440 306 2HB ALA 39 HB2 ALA 39 -6.742 -16.037 3.155 307 3HB ALA 39 HB1 ALA 39 -5.639 -17.131 2.322 308 H SER 40 HN SER 40 -9.186 -16.403 1.749 309 HA SER 40 HA SER 40 -10.017 -13.846 2.693 310 1HB SER 40 HB2 SER 40 -10.214 -14.284 -0.217 311 2HB SER 40 HB1 SER 40 -11.712 -13.745 0.540 312 HG SER 40 HG SER 40 -9.680 -12.267 -0.118 313 H LYS 41 HN LYS 41 -12.385 -13.841 3.184 314 HA LYS 41 HA LYS 41 -13.703 -16.485 2.860 315 1HB LYS 41 HB2 LYS 41 -12.403 -16.262 5.103 316 2HB LYS 41 HB1 LYS 41 -13.697 -15.155 5.563 317 1HG LYS 41 HG2 LYS 41 -15.194 -16.838 5.823 318 2HG LYS 41 HG1 LYS 41 -14.685 -17.630 4.333 319 1HD LYS 41 HD2 LYS 41 -12.570 -17.854 6.265 320 2HD LYS 41 HD1 LYS 41 -14.077 -18.396 7.002 321 1HE LYS 41 HE2 LYS 41 -13.094 -19.330 4.293 322 2HE LYS 41 HE1 LYS 41 -12.835 -20.218 5.794 323 1HZ LYS 41 HZ1 LYS 41 -15.456 -19.744 5.917 324 2HZ LYS 41 HZ3 LYS 41 -15.256 -19.875 4.238 325 3HZ LYS 41 HZ2 LYS 41 -14.784 -21.156 5.251 326 H ASP 42 HN ASP 42 -14.086 -13.194 4.241 327 HA ASP 42 HA ASP 42 -16.674 -12.999 2.815 328 1HB ASP 42 HB2 ASP 42 -16.518 -13.611 5.586 329 2HB ASP 42 HB1 ASP 42 -17.057 -11.937 5.455 330 H THR 43 HN THR 43 -13.910 -11.663 2.849 331 HA THR 43 HA THR 43 -14.988 -8.899 2.848 332 HB THR 43 HB THR 43 -13.953 -8.994 5.012 333 HG1 THR 43 HG1 THR 43 -13.430 -7.138 3.973 334 1HG2 THR 43 HG23 THR 43 -12.544 -11.079 4.303 335 2HG2 THR 43 HG22 THR 43 -11.347 -9.888 3.796 336 3HG2 THR 43 HG21 THR 43 -11.858 -9.963 5.481 337 H THR 44 HN THR 44 -13.480 -7.398 1.697 338 HA THR 44 HA THR 44 -11.333 -8.546 0.108 339 HB THR 44 HB THR 44 -13.409 -7.506 -1.719 340 HG1 THR 44 HG1 THR 44 -14.883 -8.817 -1.042 341 1HG2 THR 44 HG23 THR 44 -11.168 -8.457 -2.353 342 2HG2 THR 44 HG22 THR 44 -11.731 -10.025 -1.775 343 3HG2 THR 44 HG21 THR 44 -12.533 -9.249 -3.142 344 H GLU 45 HN GLU 45 -11.673 -6.225 1.849 345 HA GLU 45 HA GLU 45 -10.311 -4.303 0.249 346 1HB GLU 45 HB2 GLU 45 -11.964 -3.176 -0.759 347 2HB GLU 45 HB1 GLU 45 -13.166 -4.208 0.004 348 1HG GLU 45 HG2 GLU 45 -13.295 -2.747 1.930 349 2HG GLU 45 HG1 GLU 45 -11.922 -1.797 1.359 350 H LYS 46 HN LYS 46 -12.637 -4.303 3.007 351 HA LYS 46 HA LYS 46 -11.041 -2.362 4.442 352 1HB LYS 46 HB2 LYS 46 -12.589 -2.607 6.206 353 2HB LYS 46 HB1 LYS 46 -13.547 -2.902 4.755 354 1HG LYS 46 HG2 LYS 46 -13.057 -5.380 5.084 355 2HG LYS 46 HG1 LYS 46 -12.416 -4.955 6.670 356 1HD LYS 46 HD2 LYS 46 -14.994 -3.696 6.218 357 2HD LYS 46 HD1 LYS 46 -15.101 -5.447 6.032 358 1HE LYS 46 HE2 LYS 46 -13.731 -5.548 8.235 359 2HE LYS 46 HE1 LYS 46 -14.218 -3.865 8.439 360 1HZ LYS 46 HZ2 LYS 46 -16.319 -5.734 7.703 361 2HZ LYS 46 HZ1 LYS 46 -15.683 -5.911 9.269 362 3HZ LYS 46 HZ3 LYS 46 -16.355 -4.429 8.790 363 H GLU 47 HN GLU 47 -11.255 -5.900 4.440 364 HA GLU 47 HA GLU 47 -9.365 -6.149 6.648 365 1HB GLU 47 HB2 GLU 47 -10.701 -8.047 4.752 366 2HB GLU 47 HB1 GLU 47 -9.267 -8.588 5.624 367 1HG GLU 47 HG2 GLU 47 -10.925 -7.216 7.489 368 2HG GLU 47 HG1 GLU 47 -11.949 -8.348 6.609 369 H THR 48 HN THR 48 -9.229 -5.945 3.150 370 HA THR 48 HA THR 48 -6.500 -6.874 2.907 371 HB THR 48 HB THR 48 -7.991 -5.021 1.030 372 HG1 THR 48 HG1 THR 48 -8.537 -7.057 0.011 373 1HG2 THR 48 HG21 THR 48 -5.381 -6.130 1.018 374 2HG2 THR 48 HG23 THR 48 -6.312 -7.005 -0.197 375 3HG2 THR 48 HG22 THR 48 -6.182 -5.248 -0.282 376 H PHE 49 HN PHE 49 -7.972 -3.822 3.793 377 HA PHE 49 HA PHE 49 -5.524 -2.287 3.272 378 1HB PHE 49 HB2 PHE 49 -8.033 -1.531 4.783 379 2HB PHE 49 HB1 PHE 49 -6.726 -0.428 4.397 380 HD1 PHE 49 HD2 PHE 49 -6.135 -1.516 1.587 381 HD2 PHE 49 HD1 PHE 49 -9.796 -0.523 3.596 382 HE1 PHE 49 HE2 PHE 49 -7.218 -1.101 -0.601 383 HE2 PHE 49 HE1 PHE 49 -10.884 -0.110 1.405 384 HZ PHE 49 HZ PHE 49 -9.596 -0.405 -0.691 385 H CYS 50 HN CYS 50 -7.132 -3.753 6.085 386 HA CYS 50 HA CYS 50 -5.301 -2.528 7.984 387 1HB CYS 50 HB2 CYS 50 -6.265 -4.076 9.609 388 2HB CYS 50 HB1 CYS 50 -7.551 -3.391 8.636 389 NH1 ARG 51 NH2 ARG 51 -7.721 -10.737 4.611 390 NH2 ARG 51 NH1 ARG 51 -6.514 -10.552 2.712 391 H ARG 51 HN ARG 51 -5.428 -5.618 6.232 392 HA ARG 51 HA ARG 51 -3.145 -6.831 7.507 393 1HB ARG 51 HB2 ARG 51 -4.768 -7.309 5.035 394 2HB ARG 51 HB1 ARG 51 -3.165 -8.038 5.107 395 1HG ARG 51 HG2 ARG 51 -3.824 -9.580 6.622 396 2HG ARG 51 HG1 ARG 51 -4.669 -8.379 7.599 397 1HD ARG 51 HD2 ARG 51 -6.160 -10.166 6.593 398 2HD ARG 51 HD1 ARG 51 -6.628 -8.517 6.200 399 HE ARG 51 HE ARG 51 -4.963 -9.268 4.107 400 1HH1 ARG 51 HH21 ARG 51 -7.853 -10.549 5.582 401 2HH1 ARG 51 HH22 ARG 51 -8.403 -11.272 4.114 402 1HH2 ARG 51 HH11 ARG 51 -5.711 -10.213 2.223 403 2HH2 ARG 51 HH12 ARG 51 -7.205 -11.089 2.227 404 H ALA 52 HN ALA 52 -3.547 -5.311 4.308 405 HA ALA 52 HA ALA 52 -0.773 -5.173 3.675 406 1HB ALA 52 HB1 ALA 52 -2.885 -4.761 2.192 407 2HB ALA 52 HB3 ALA 52 -2.748 -3.097 2.759 408 3HB ALA 52 HB2 ALA 52 -1.422 -3.836 1.861 409 H ALA 53 HN ALA 53 -2.704 -3.323 5.890 410 HA ALA 53 HA ALA 53 -1.099 -0.921 5.861 411 1HB ALA 53 HB1 ALA 53 -3.225 -2.084 7.606 412 2HB ALA 53 HB3 ALA 53 -2.182 -0.851 8.315 413 3HB ALA 53 HB2 ALA 53 -3.127 -0.484 6.871 414 H THR 54 HN THR 54 -1.046 -3.953 7.714 415 HA THR 54 HA THR 54 1.071 -3.097 9.503 416 HB THR 54 HB THR 54 -0.484 -5.516 9.018 417 HG1 THR 54 HG1 THR 54 1.031 -5.134 11.305 418 1HG2 THR 54 HG21 THR 54 2.471 -5.806 9.621 419 2HG2 THR 54 HG23 THR 54 1.278 -7.071 9.903 420 3HG2 THR 54 HG22 THR 54 1.593 -6.510 8.263 421 H VAL 55 HN VAL 55 1.020 -5.105 6.540 422 HA VAL 55 HA VAL 55 3.840 -5.539 6.438 423 HB VAL 55 HB VAL 55 1.886 -5.337 4.119 424 1HG1 VAL 55 HG11 VAL 55 4.750 -6.070 4.387 425 2HG1 VAL 55 HG13 VAL 55 3.773 -7.172 3.416 426 3HG1 VAL 55 HG12 VAL 55 3.872 -5.465 2.983 427 1HG2 VAL 55 HG22 VAL 55 1.565 -7.036 6.147 428 2HG2 VAL 55 HG21 VAL 55 1.327 -7.565 4.481 429 3HG2 VAL 55 HG23 VAL 55 2.843 -7.918 5.312 430 H LEU 56 HN LEU 56 1.846 -2.791 5.570 431 HA LEU 56 HA LEU 56 3.943 -1.462 4.041 432 1HB LEU 56 HB2 LEU 56 1.158 -0.936 4.734 433 2HB LEU 56 HB1 LEU 56 2.160 0.505 4.900 434 HG LEU 56 HG LEU 56 3.113 -0.069 2.595 435 1HD1 LEU 56 HD13 LEU 56 1.829 -2.431 2.908 436 2HD1 LEU 56 HD12 LEU 56 0.598 -1.537 2.017 437 3HD1 LEU 56 HD11 LEU 56 2.207 -1.745 1.328 438 1HD2 LEU 56 HD21 LEU 56 1.417 1.726 3.068 439 2HD2 LEU 56 HD23 LEU 56 1.277 1.035 1.453 440 3HD2 LEU 56 HD22 LEU 56 0.147 0.553 2.718 441 NH1 ARG 57 NH2 ARG 57 1.502 0.803 14.062 442 NH2 ARG 57 NH1 ARG 57 2.806 2.634 13.845 443 H ARG 57 HN ARG 57 2.869 -1.578 7.381 444 HA ARG 57 HA ARG 57 4.189 0.742 8.363 445 1HB ARG 57 HB2 ARG 57 3.436 -1.906 9.597 446 2HB ARG 57 HB1 ARG 57 4.375 -0.727 10.515 447 1HG ARG 57 HG2 ARG 57 2.508 0.946 9.675 448 2HG ARG 57 HG1 ARG 57 1.561 -0.532 9.506 449 1HD ARG 57 HD2 ARG 57 1.078 -0.150 11.705 450 2HD ARG 57 HD1 ARG 57 2.633 -0.939 11.964 451 HE ARG 57 HE ARG 57 3.293 1.728 11.617 452 1HH1 ARG 57 HH21 ARG 57 1.122 -0.046 13.698 453 2HH1 ARG 57 HH22 ARG 57 1.252 1.103 14.984 454 1HH2 ARG 57 HH11 ARG 57 3.434 3.196 13.307 455 2HH2 ARG 57 HH12 ARG 57 2.546 2.919 14.767 456 H GLN 58 HN GLN 58 5.305 -2.603 7.900 457 HA GLN 58 HA GLN 58 7.990 -2.099 8.838 458 1HB GLN 58 HB2 GLN 58 6.719 -4.243 7.134 459 2HB GLN 58 HB1 GLN 58 8.464 -4.202 7.390 460 1HG GLN 58 HG2 GLN 58 8.232 -4.462 9.743 461 2HG GLN 58 HG1 GLN 58 6.507 -4.100 9.688 462 1HE2 GLN 58 HE22 GLN 58 7.788 -7.887 8.973 463 2HE2 GLN 58 HE21 GLN 58 8.890 -6.635 9.289 464 H PHE 59 HN PHE 59 6.337 -1.811 5.745 465 HA PHE 59 HA PHE 59 8.510 -1.521 3.975 466 1HB PHE 59 HB2 PHE 59 5.860 -1.338 3.677 467 2HB PHE 59 HB1 PHE 59 6.210 0.384 3.752 468 HD1 PHE 59 HD2 PHE 59 8.200 1.205 2.219 469 HD2 PHE 59 HD1 PHE 59 6.027 -2.452 1.639 470 HE1 PHE 59 HE2 PHE 59 8.921 1.153 -0.152 471 HE2 PHE 59 HE1 PHE 59 6.744 -2.503 -0.733 472 HZ PHE 59 HZ PHE 59 8.191 -0.700 -1.629 473 OH TYR 60 OH TYR 60 5.827 3.853 11.685 474 H TYR 60 HN TYR 60 6.976 0.993 6.018 475 HA TYR 60 HA TYR 60 9.124 2.846 5.230 476 1HB TYR 60 HB2 TYR 60 7.744 4.557 5.904 477 2HB TYR 60 HB1 TYR 60 6.519 3.324 5.615 478 HD1 TYR 60 HD2 TYR 60 5.533 2.058 7.505 479 HD2 TYR 60 HD1 TYR 60 8.315 5.270 8.140 480 HE1 TYR 60 HE2 TYR 60 4.857 2.174 9.889 481 HE2 TYR 60 HE1 TYR 60 7.638 5.385 10.523 482 HH TYR 60 HH TYR 60 4.888 3.658 11.736 483 H SER 61 HN SER 61 8.648 0.612 7.734 484 HA SER 61 HA SER 61 10.169 2.211 9.694 485 1HB SER 61 HB2 SER 61 8.512 -0.208 9.752 486 2HB SER 61 HB1 SER 61 9.969 -0.338 10.732 487 HG SER 61 HG SER 61 8.513 0.636 12.033 488 H HIS 62 HN HIS 62 10.553 -1.093 8.424 489 HA HIS 62 HA HIS 62 13.455 -0.919 8.920 490 1HB HIS 62 HB2 HIS 62 11.647 -3.190 8.071 491 2HB HIS 62 HB1 HIS 62 13.392 -3.353 8.275 492 HD1 HIS 62 HD1 HIS 62 12.486 -5.097 10.230 493 HD2 HIS 62 HD2 HIS 62 12.030 -1.019 10.965 494 HE1 HIS 62 HE1 HIS 62 12.114 -4.855 12.724 495 H HIS 63 HN HIS 63 11.335 -1.688 6.129 496 HA HIS 63 HA HIS 63 13.360 -2.087 4.233 497 1HB HIS 63 HB2 HIS 63 11.296 -2.598 3.361 498 2HB HIS 63 HB1 HIS 63 10.524 -1.183 4.070 499 HD1 HIS 63 HD1 HIS 63 13.090 -1.981 1.365 500 HD2 HIS 63 HD2 HIS 63 10.207 0.887 2.263 501 HE1 HIS 63 HE1 HIS 63 13.013 -0.403 -0.612 502 H GLU 64 HN GLU 64 12.341 0.920 5.691 503 HA GLU 64 HA GLU 64 13.786 2.473 3.631 504 1HB GLU 64 HB2 GLU 64 11.712 3.452 4.448 505 2HB GLU 64 HB1 GLU 64 12.278 3.350 6.112 506 1HG GLU 64 HG2 GLU 64 12.485 5.610 4.680 507 2HG GLU 64 HG1 GLU 64 13.683 5.165 5.890 508 H LYS 65 HN LYS 65 15.581 0.836 4.650 509 HA LYS 65 HA LYS 65 17.548 2.505 5.875 510 1HB LYS 65 HB2 LYS 65 15.768 1.769 7.761 511 2HB LYS 65 HB1 LYS 65 16.823 0.355 7.803 512 1HG LYS 65 HG2 LYS 65 18.725 2.221 7.800 513 2HG LYS 65 HG1 LYS 65 17.432 3.195 8.502 514 1HD LYS 65 HD2 LYS 65 17.408 2.002 10.447 515 2HD LYS 65 HD1 LYS 65 17.728 0.472 9.629 516 1HE LYS 65 HE2 LYS 65 19.922 0.621 10.101 517 2HE LYS 65 HE1 LYS 65 20.009 2.216 9.356 518 1HZ LYS 65 HZ1 LYS 65 18.729 2.091 11.960 519 2HZ LYS 65 HZ3 LYS 65 20.398 1.792 11.946 520 3HZ LYS 65 HZ2 LYS 65 19.794 3.253 11.324 521 H ASP 66 HN ASP 66 17.311 0.642 3.684 522 HA ASP 66 HA ASP 66 19.485 -1.246 4.458 523 1HB ASP 66 HB2 ASP 66 16.926 -2.123 4.069 524 2HB ASP 66 HB1 ASP 66 17.572 -2.245 2.434 525 H THR 67 HN THR 67 20.732 -1.976 2.524 526 HA THR 67 HA THR 67 20.948 0.239 0.580 527 HB THR 67 HB THR 67 22.702 -2.211 0.920 528 HG1 THR 67 HG1 THR 67 23.474 0.340 1.709 529 1HG2 THR 67 HG22 THR 67 22.638 0.023 -0.965 530 2HG2 THR 67 HG21 THR 67 24.183 -0.108 -0.126 531 3HG2 THR 67 HG23 THR 67 23.557 -1.480 -1.039 532 NH1 ARG 68 NH2 ARG 68 16.365 -8.337 -2.401 533 NH2 ARG 68 NH1 ARG 68 15.248 -8.732 -0.479 534 H ARG 68 HN ARG 68 18.907 -2.228 0.629 535 HA ARG 68 HA ARG 68 19.485 -3.525 -1.908 536 1HB ARG 68 HB2 ARG 68 17.153 -3.510 -0.006 537 2HB ARG 68 HB1 ARG 68 16.984 -4.223 -1.610 538 1HG ARG 68 HG2 ARG 68 19.460 -5.100 -0.425 539 2HG ARG 68 HG1 ARG 68 18.128 -5.423 0.683 540 1HD ARG 68 HD2 ARG 68 17.570 -6.060 -2.148 541 2HD ARG 68 HD1 ARG 68 18.811 -7.060 -1.392 542 HE ARG 68 HE ARG 68 16.741 -7.026 0.458 543 1HH1 ARG 68 HH21 ARG 68 17.072 -7.854 -2.916 544 2HH1 ARG 68 HH22 ARG 68 15.799 -9.021 -2.860 545 1HH2 ARG 68 HH11 ARG 68 15.096 -8.549 0.493 546 2HH2 ARG 68 HH12 ARG 68 14.690 -9.415 -0.951 547 H CYS 69 HN CYS 69 17.090 -1.082 -0.843 548 HA CYS 69 HA CYS 69 16.410 -0.552 -3.671 549 1HB CYS 69 HB2 CYS 69 14.646 -0.631 -1.865 550 2HB CYS 69 HB1 CYS 69 15.351 0.841 -1.197 551 H LEU 70 HN LEU 70 18.257 0.882 -1.049 552 HA LEU 70 HA LEU 70 18.447 3.547 -1.966 553 1HB LEU 70 HB2 LEU 70 20.504 1.801 -0.587 554 2HB LEU 70 HB1 LEU 70 20.743 3.522 -0.883 555 HG LEU 70 HG LEU 70 18.458 2.310 0.702 556 1HD1 LEU 70 HD12 LEU 70 21.160 3.115 1.400 557 2HD1 LEU 70 HD11 LEU 70 19.972 4.089 2.265 558 3HD1 LEU 70 HD13 LEU 70 19.941 2.330 2.405 559 1HD2 LEU 70 HD22 LEU 70 18.982 4.987 -0.434 560 2HD2 LEU 70 HD21 LEU 70 17.461 4.268 0.095 561 3HD2 LEU 70 HD23 LEU 70 18.552 4.990 1.276 562 H GLY 71 HN GLY 71 20.951 1.049 -2.550 563 1HA GLY 71 HA2 GLY 71 21.830 0.536 -4.760 564 2HA GLY 71 HA1 GLY 71 21.213 2.088 -5.328 565 H ALA 72 HN ALA 72 22.764 3.606 -5.623 566 HA ALA 72 HA ALA 72 24.842 4.069 -3.645 567 1HB ALA 72 HB2 ALA 72 25.425 2.118 -5.560 568 2HB ALA 72 HB1 ALA 72 26.211 3.574 -6.170 569 3HB ALA 72 HB3 ALA 72 26.595 2.975 -4.557 570 H THR 73 HN THR 73 22.742 5.574 -5.013 571 HA THR 73 HA THR 73 24.463 7.597 -6.393 572 HB THR 73 HB THR 73 21.799 8.034 -7.187 573 HG1 THR 73 HG1 THR 73 21.796 5.712 -8.204 574 1HG2 THR 73 HG22 THR 73 23.977 8.297 -8.458 575 2HG2 THR 73 HG21 THR 73 23.943 6.554 -8.726 576 3HG2 THR 73 HG23 THR 73 22.661 7.573 -9.382 577 H ALA 74 HN ALA 74 23.725 9.847 -6.090 578 HA ALA 74 HA ALA 74 22.737 10.253 -3.344 579 1HB ALA 74 HB2 ALA 74 24.013 11.978 -5.443 580 2HB ALA 74 HB1 ALA 74 23.114 12.746 -4.133 581 3HB ALA 74 HB3 ALA 74 24.500 11.716 -3.768 582 H GLN 75 HN GLN 75 21.706 10.908 -6.673 583 HA GLN 75 HA GLN 75 19.401 12.475 -6.007 584 1HB GLN 75 HB2 GLN 75 18.628 11.938 -8.276 585 2HB GLN 75 HB1 GLN 75 20.345 12.340 -8.297 586 1HG GLN 75 HG2 GLN 75 20.799 9.837 -8.096 587 2HG GLN 75 HG1 GLN 75 19.086 9.594 -8.437 588 1HE2 GLN 75 HE22 GLN 75 21.498 10.072 -11.535 589 2HE2 GLN 75 HE21 GLN 75 21.974 9.537 -9.995 590 H GLN 76 HN GLN 76 19.903 8.982 -6.366 591 HA GLN 76 HA GLN 76 17.159 8.213 -6.163 592 1HB GLN 76 HB2 GLN 76 19.359 6.830 -6.710 593 2HB GLN 76 HB1 GLN 76 19.298 6.486 -4.981 594 1HG GLN 76 HG2 GLN 76 17.850 4.833 -5.535 595 2HG GLN 76 HG1 GLN 76 16.671 6.126 -5.756 596 1HE2 GLN 76 HE22 GLN 76 17.791 3.997 -8.948 597 2HE2 GLN 76 HE21 GLN 76 18.099 3.523 -7.349 598 H PHE 77 HN PHE 77 19.442 9.299 -3.750 599 HA PHE 77 HA PHE 77 18.091 8.144 -1.472 600 1HB PHE 77 HB2 PHE 77 20.400 9.766 -1.936 601 2HB PHE 77 HB1 PHE 77 19.395 10.575 -0.733 602 HD1 PHE 77 HD2 PHE 77 18.411 9.035 1.159 603 HD2 PHE 77 HD1 PHE 77 21.819 8.035 -1.256 604 HE1 PHE 77 HE2 PHE 77 19.149 7.406 2.877 605 HE2 PHE 77 HE1 PHE 77 22.558 6.405 0.460 606 HZ PHE 77 HZ PHE 77 21.222 6.090 2.527 607 H HIS 78 HN HIS 78 18.059 11.442 -2.872 608 HA HIS 78 HA HIS 78 16.112 12.520 -1.111 609 1HB HIS 78 HB2 HIS 78 17.338 14.002 -2.569 610 2HB HIS 78 HB1 HIS 78 16.740 13.168 -4.004 611 HD1 HIS 78 HD1 HIS 78 14.463 13.852 -4.896 612 HD2 HIS 78 HD2 HIS 78 15.279 15.523 -1.165 613 HE1 HIS 78 HE1 HIS 78 12.618 15.525 -4.440 614 NH1 ARG 79 NH2 ARG 79 10.051 11.338 -8.834 615 NH2 ARG 79 NH1 ARG 79 10.421 13.564 -8.774 616 H ARG 79 HN ARG 79 15.693 10.921 -4.268 617 HA ARG 79 HA ARG 79 12.837 11.109 -4.308 618 1HB ARG 79 HB2 ARG 79 14.865 9.385 -5.695 619 2HB ARG 79 HB1 ARG 79 13.153 8.978 -5.827 620 1HG ARG 79 HG2 ARG 79 13.857 11.835 -6.246 621 2HG ARG 79 HG1 ARG 79 14.374 10.710 -7.503 622 1HD ARG 79 HD2 ARG 79 12.214 10.149 -8.090 623 2HD ARG 79 HD1 ARG 79 11.584 10.454 -6.471 624 HE ARG 79 HE ARG 79 12.342 12.961 -7.368 625 1HH1 ARG 79 HH21 ARG 79 10.296 10.405 -8.575 626 2HH1 ARG 79 HH22 ARG 79 9.252 11.496 -9.414 627 1HH2 ARG 79 HH11 ARG 79 10.959 14.349 -8.464 628 2HH2 ARG 79 HH12 ARG 79 9.618 13.705 -9.352 629 H HIS 80 HN HIS 80 15.038 8.909 -2.702 630 HA HIS 80 HA HIS 80 13.195 6.780 -2.188 631 1HB HIS 80 HB2 HIS 80 15.851 7.197 -1.673 632 2HB HIS 80 HB1 HIS 80 15.157 7.373 -0.062 633 HD1 HIS 80 HD1 HIS 80 13.261 5.329 0.437 634 HD2 HIS 80 HD2 HIS 80 16.356 4.552 -2.245 635 HE1 HIS 80 HE1 HIS 80 13.436 2.808 0.255 636 H LYS 81 HN LYS 81 14.093 9.639 -0.238 637 HA LYS 81 HA LYS 81 12.365 9.115 1.952 638 1HB LYS 81 HB2 LYS 81 14.195 10.954 1.623 639 2HB LYS 81 HB1 LYS 81 12.864 11.914 0.975 640 1HG LYS 81 HG2 LYS 81 11.862 12.140 3.013 641 2HG LYS 81 HG1 LYS 81 12.291 10.505 3.516 642 1HD LYS 81 HD2 LYS 81 13.500 12.172 4.869 643 2HD LYS 81 HD1 LYS 81 14.625 11.236 3.883 644 1HE LYS 81 HE2 LYS 81 15.135 13.016 2.526 645 2HE LYS 81 HE1 LYS 81 13.522 13.716 2.661 646 1HZ LYS 81 HZ2 LYS 81 14.062 14.369 4.941 647 2HZ LYS 81 HZ1 LYS 81 15.635 13.757 4.748 648 3HZ LYS 81 HZ3 LYS 81 15.119 15.077 3.817 649 H GLN 82 HN GLN 82 11.645 10.252 -1.269 650 HA GLN 82 HA GLN 82 9.070 11.426 -0.584 651 1HB GLN 82 HB2 GLN 82 10.613 10.858 -3.055 652 2HB GLN 82 HB1 GLN 82 8.858 10.890 -3.234 653 1HG GLN 82 HG2 GLN 82 10.196 13.077 -1.680 654 2HG GLN 82 HG1 GLN 82 10.248 13.126 -3.444 655 1HE2 GLN 82 HE22 GLN 82 7.115 14.789 -3.177 656 2HE2 GLN 82 HE21 GLN 82 8.766 14.973 -3.526 657 H LEU 83 HN LEU 83 10.197 8.260 -1.678 658 HA LEU 83 HA LEU 83 7.540 7.197 -2.148 659 1HB LEU 83 HB2 LEU 83 9.616 6.270 -3.182 660 2HB LEU 83 HB1 LEU 83 10.125 5.714 -1.587 661 HG LEU 83 HG LEU 83 7.384 4.918 -2.277 662 1HD1 LEU 83 HD12 LEU 83 9.655 4.377 -4.120 663 2HD1 LEU 83 HD11 LEU 83 8.626 3.001 -3.717 664 3HD1 LEU 83 HD13 LEU 83 7.924 4.441 -4.455 665 1HD2 LEU 83 HD23 LEU 83 9.861 3.786 -1.048 666 2HD2 LEU 83 HD22 LEU 83 8.205 3.775 -0.444 667 3HD2 LEU 83 HD21 LEU 83 8.689 2.648 -1.711 668 H ILE 84 HN ILE 84 9.924 6.679 0.455 669 HA ILE 84 HA ILE 84 8.280 5.078 2.119 670 HB ILE 84 HB ILE 84 10.397 7.043 3.045 671 1HG1 ILE 84 HG12 ILE 84 11.429 5.754 1.312 672 2HG1 ILE 84 HG11 ILE 84 11.896 4.994 2.830 673 1HG2 ILE 84 HG23 ILE 84 8.807 5.633 4.634 674 2HG2 ILE 84 HG22 ILE 84 9.921 4.332 4.213 675 3HG2 ILE 84 HG21 ILE 84 10.526 5.793 4.991 676 1HD1 ILE 84 HD11 ILE 84 10.031 3.366 2.560 677 2HD1 ILE 84 HD13 ILE 84 9.669 4.081 0.990 678 3HD1 ILE 84 HD12 ILE 84 11.209 3.268 1.253 679 NH1 ARG 85 NH2 ARG 85 6.517 15.832 2.173 680 NH2 ARG 85 NH1 ARG 85 4.419 15.470 1.418 681 H ARG 85 HN ARG 85 8.660 8.618 1.967 682 HA ARG 85 HA ARG 85 7.012 9.232 4.215 683 1HB ARG 85 HB2 ARG 85 8.477 10.892 3.084 684 2HB ARG 85 HB1 ARG 85 7.410 10.852 1.680 685 1HG ARG 85 HG2 ARG 85 5.515 11.526 3.216 686 2HG ARG 85 HG1 ARG 85 6.721 11.785 4.478 687 1HD ARG 85 HD2 ARG 85 7.191 13.815 3.635 688 2HD ARG 85 HD1 ARG 85 7.620 13.085 2.087 689 HE ARG 85 HE ARG 85 4.856 13.139 2.038 690 1HH1 ARG 85 HH21 ARG 85 7.371 15.501 2.570 691 2HH1 ARG 85 HH22 ARG 85 6.420 16.802 1.947 692 1HH2 ARG 85 HH11 ARG 85 3.655 14.849 1.237 693 2HH2 ARG 85 HH12 ARG 85 4.335 16.441 1.199 694 H PHE 86 HN PHE 86 6.224 8.901 0.758 695 HA PHE 86 HA PHE 86 3.468 9.540 0.930 696 1HB PHE 86 HB2 PHE 86 5.246 8.391 -1.016 697 2HB PHE 86 HB1 PHE 86 3.761 7.441 -0.965 698 HD1 PHE 86 HD1 PHE 86 5.210 10.762 -1.634 699 HD2 PHE 86 HD2 PHE 86 1.602 8.430 -1.534 700 HE1 PHE 86 HE1 PHE 86 4.027 12.537 -2.899 701 HE2 PHE 86 HE2 PHE 86 0.420 10.206 -2.800 702 HZ PHE 86 HZ PHE 86 1.633 12.260 -3.482 703 H LEU 87 HN LEU 87 5.187 6.523 1.608 704 HA LEU 87 HA LEU 87 2.816 4.902 1.893 705 1HB LEU 87 HB2 LEU 87 5.378 4.244 1.684 706 2HB LEU 87 HB1 LEU 87 5.311 4.313 3.446 707 HG LEU 87 HG LEU 87 3.026 2.902 2.271 708 1HD1 LEU 87 HD12 LEU 87 5.130 2.410 0.761 709 2HD1 LEU 87 HD11 LEU 87 5.629 1.414 2.128 710 3HD1 LEU 87 HD13 LEU 87 4.108 1.079 1.302 711 1HD2 LEU 87 HD23 LEU 87 4.971 2.655 4.515 712 2HD2 LEU 87 HD22 LEU 87 3.214 2.505 4.529 713 3HD2 LEU 87 HD21 LEU 87 4.209 1.165 3.957 714 H LYS 88 HN LYS 88 4.684 6.942 4.091 715 HA LYS 88 HA LYS 88 3.506 6.081 6.539 716 1HB LYS 88 HB2 LYS 88 4.762 8.666 5.627 717 2HB LYS 88 HB1 LYS 88 4.039 8.536 7.231 718 1HG LYS 88 HG2 LYS 88 5.490 6.280 7.265 719 2HG LYS 88 HG1 LYS 88 6.476 7.214 6.140 720 1HD LYS 88 HD2 LYS 88 5.566 8.273 8.827 721 2HD LYS 88 HD1 LYS 88 7.123 7.485 8.570 722 1HE LYS 88 HE2 LYS 88 7.974 9.432 7.832 723 2HE LYS 88 HE1 LYS 88 6.802 9.432 6.515 724 1HZ LYS 88 HZ1 LYS 88 6.127 10.357 9.244 725 2HZ LYS 88 HZ3 LYS 88 6.746 11.401 8.060 726 3HZ LYS 88 HZ2 LYS 88 5.261 10.616 7.806 727 NH1 ARG 89 NH2 ARG 89 -1.502 14.312 1.567 728 NH2 ARG 89 NH1 ARG 89 -2.139 13.115 -0.239 729 H ARG 89 HN ARG 89 2.475 8.546 4.182 730 HA ARG 89 HA ARG 89 0.225 9.456 5.732 731 1HB ARG 89 HB2 ARG 89 1.146 10.789 3.885 732 2HB ARG 89 HB1 ARG 89 0.684 9.531 2.736 733 1HG ARG 89 HG2 ARG 89 -1.578 9.999 2.917 734 2HG ARG 89 HG1 ARG 89 -1.419 10.652 4.547 735 1HD ARG 89 HD2 ARG 89 -1.463 12.700 3.598 736 2HD ARG 89 HD1 ARG 89 0.157 12.346 2.995 737 HE ARG 89 HE ARG 89 -1.535 11.176 1.132 738 1HH1 ARG 89 HH21 ARG 89 -1.149 14.363 2.500 739 2HH1 ARG 89 HH22 ARG 89 -1.724 15.155 1.076 740 1HH2 ARG 89 HH11 ARG 89 -2.277 12.235 -0.694 741 2HH2 ARG 89 HH12 ARG 89 -2.356 13.965 -0.719 742 H LEU 90 HN LEU 90 0.467 7.151 3.017 743 HA LEU 90 HA LEU 90 -2.317 6.437 3.069 744 1HB LEU 90 HB2 LEU 90 -0.702 6.020 1.163 745 2HB LEU 90 HB1 LEU 90 -0.036 4.692 2.112 746 HG LEU 90 HG LEU 90 -2.288 3.658 2.220 747 1HD1 LEU 90 HD12 LEU 90 -2.995 6.236 0.957 748 2HD1 LEU 90 HD11 LEU 90 -3.769 4.823 0.240 749 3HD1 LEU 90 HD13 LEU 90 -3.979 5.166 1.957 750 1HD2 LEU 90 HD23 LEU 90 -1.191 4.331 -0.521 751 2HD2 LEU 90 HD22 LEU 90 -0.854 2.894 0.445 752 3HD2 LEU 90 HD21 LEU 90 -2.454 3.129 -0.258 753 H ASP 91 HN ASP 91 0.226 5.673 5.249 754 HA ASP 91 HA ASP 91 -0.631 3.036 6.007 755 1HB ASP 91 HB2 ASP 91 1.470 4.718 6.700 756 2HB ASP 91 HB1 ASP 91 0.515 4.621 8.180 757 NH1 ARG 92 NH2 ARG 92 -0.331 5.631 13.312 758 NH2 ARG 92 NH1 ARG 92 0.913 7.367 12.578 759 H ARG 92 HN ARG 92 -1.437 6.294 7.231 760 HA ARG 92 HA ARG 92 -3.364 5.099 9.125 761 1HB ARG 92 HB2 ARG 92 -1.798 7.337 9.287 762 2HB ARG 92 HB1 ARG 92 -3.351 8.029 8.819 763 1HG ARG 92 HG2 ARG 92 -3.533 7.960 11.155 764 2HG ARG 92 HG1 ARG 92 -4.321 6.456 10.675 765 1HD ARG 92 HD2 ARG 92 -2.763 6.002 12.502 766 2HD ARG 92 HD1 ARG 92 -2.160 5.256 11.022 767 HE ARG 92 HE ARG 92 -0.959 7.754 11.047 768 1HH1 ARG 92 HH21 ARG 92 -1.158 5.073 13.274 769 2HH1 ARG 92 HH22 ARG 92 0.389 5.407 13.969 770 1HH2 ARG 92 HH11 ARG 92 1.038 8.151 11.968 771 2HH2 ARG 92 HH12 ARG 92 1.624 7.130 13.240 772 H ASN 93 HN ASN 93 -3.386 6.494 5.943 773 HA ASN 93 HA ASN 93 -6.215 7.253 6.027 774 1HB ASN 93 HB2 ASN 93 -4.145 7.023 3.841 775 2HB ASN 93 HB1 ASN 93 -5.842 7.319 3.463 776 1HD2 ASN 93 HD22 ASN 93 -5.361 10.760 3.985 777 2HD2 ASN 93 HD21 ASN 93 -6.024 9.525 3.027 778 H LEU 94 HN LEU 94 -4.414 4.781 4.195 779 HA LEU 94 HA LEU 94 -6.606 3.265 3.278 780 1HB LEU 94 HB2 LEU 94 -4.106 3.035 2.729 781 2HB LEU 94 HB1 LEU 94 -3.978 2.082 4.204 782 HG LEU 94 HG LEU 94 -6.068 0.829 3.091 783 1HD1 LEU 94 HD13 LEU 94 -4.947 2.492 0.985 784 2HD1 LEU 94 HD12 LEU 94 -4.879 0.781 0.564 785 3HD1 LEU 94 HD11 LEU 94 -6.422 1.526 0.978 786 1HD2 LEU 94 HD23 LEU 94 -3.897 -0.158 3.809 787 2HD2 LEU 94 HD22 LEU 94 -4.446 -0.833 2.277 788 3HD2 LEU 94 HD21 LEU 94 -3.174 0.384 2.296 789 CH2 TRP 95 CH2 TRP 95 -2.540 0.244 13.168 790 H TRP 95 HN TRP 95 -4.743 2.972 6.268 791 HA TRP 95 HA TRP 95 -6.188 0.783 7.430 792 1HB TRP 95 HB2 TRP 95 -3.977 1.428 8.194 793 2HB TRP 95 HB1 TRP 95 -4.498 3.064 8.515 794 HD1 TRP 95 HD1 TRP 95 -7.116 2.069 10.386 795 HE1 TRP 95 HE1 TRP 95 -6.587 1.360 12.766 796 HE3 TRP 95 HE3 TRP 95 -2.190 0.963 9.850 797 HZ2 TRP 95 HZ2 TRP 95 -4.369 0.437 14.280 798 HZ3 TRP 95 HZ3 TRP 95 -0.878 0.161 11.800 799 HH2 TRP 95 HH2 TRP 95 -1.975 -0.112 14.011 800 H GLY 96 HN GLY 96 -6.623 4.293 7.441 801 1HA GLY 96 HA2 GLY 96 -8.417 4.833 9.435 802 2HA GLY 96 HA1 GLY 96 -8.582 5.553 7.837 803 H LEU 97 HN LEU 97 -9.251 3.238 6.372 804 HA LEU 97 HA LEU 97 -12.033 2.876 7.320 805 1HB LEU 97 HB2 LEU 97 -10.588 2.469 4.731 806 2HB LEU 97 HB1 LEU 97 -12.055 1.535 5.024 807 HG LEU 97 HG LEU 97 -12.845 4.022 5.839 808 1HD1 LEU 97 HD13 LEU 97 -10.800 4.324 3.632 809 2HD1 LEU 97 HD12 LEU 97 -12.093 5.499 3.876 810 3HD1 LEU 97 HD11 LEU 97 -10.907 5.218 5.150 811 1HD2 LEU 97 HD21 LEU 97 -13.826 2.286 4.168 812 2HD2 LEU 97 HD23 LEU 97 -14.229 3.986 3.927 813 3HD2 LEU 97 HD22 LEU 97 -12.987 3.224 2.933 814 H ALA 98 HN ALA 98 -9.062 1.060 6.945 815 HA ALA 98 HA ALA 98 -10.248 -1.558 7.212 816 1HB ALA 98 HB3 ALA 98 -7.687 -0.493 6.659 817 2HB ALA 98 HB2 ALA 98 -7.505 -1.508 8.089 818 3HB ALA 98 HB1 ALA 98 -8.191 -2.177 6.616 819 H GLY 99 HN GLY 99 -7.869 -0.157 9.451 820 1HA GLY 99 HA2 GLY 99 -8.136 0.071 11.855 821 2HA GLY 99 HA1 GLY 99 -9.563 -0.975 11.762 822 H LEU 100 HN LEU 100 -6.091 -0.896 11.725 823 HA LEU 100 HA LEU 100 -5.765 -3.760 11.378 824 1HB LEU 100 HB2 LEU 100 -4.155 -2.045 10.540 825 2HB LEU 100 HB1 LEU 100 -3.758 -1.666 12.207 826 HG LEU 100 HG LEU 100 -2.836 -3.852 12.575 827 1HD1 LEU 100 HD11 LEU 100 -4.411 -4.493 10.161 828 2HD1 LEU 100 HD13 LEU 100 -2.806 -5.218 10.200 829 3HD1 LEU 100 HD12 LEU 100 -3.944 -5.531 11.507 830 1HD2 LEU 100 HD21 LEU 100 -1.935 -2.062 10.541 831 2HD2 LEU 100 HD23 LEU 100 -0.966 -3.119 11.569 832 3HD2 LEU 100 HD22 LEU 100 -1.571 -3.707 10.019 833 H ASN 101 HN ASN 101 -6.923 -2.177 13.996 834 HA ASN 101 HA ASN 101 -5.288 -3.132 16.135 835 1HB ASN 101 HB2 ASN 101 -8.282 -2.641 15.983 836 2HB ASN 101 HB1 ASN 101 -7.423 -3.009 17.479 837 1HD2 ASN 101 HD22 ASN 101 -5.502 0.153 17.188 838 2HD2 ASN 101 HD21 ASN 101 -5.131 -1.496 17.343 839 H SER 102 HN SER 102 -8.488 -4.501 15.354 840 HA SER 102 HA SER 102 -7.445 -7.190 16.024 841 1HB SER 102 HB2 SER 102 -10.256 -6.249 15.383 842 2HB SER 102 HB1 SER 102 -9.821 -7.872 15.908 843 HG SER 102 HG SER 102 -9.179 -5.530 17.369 844 H CYS 103 HN CYS 103 -6.100 -6.961 13.902 845 HA CYS 103 HA CYS 103 -7.712 -8.170 11.713 846 1HB CYS 103 HB2 CYS 103 -7.590 -5.877 11.035 847 2HB CYS 103 HB1 CYS 103 -5.889 -5.768 11.473 848 HA PRO 104 HA PRO 104 -3.956 -10.630 12.779 849 1HB PRO 104 HB2 PRO 104 -5.377 -12.821 11.520 850 2HB PRO 104 HB1 PRO 104 -4.922 -12.639 13.220 851 1HG PRO 104 HG2 PRO 104 -7.550 -12.399 12.091 852 2HG PRO 104 HG1 PRO 104 -7.075 -12.148 13.775 853 1HD PRO 104 HD2 PRO 104 -7.864 -10.153 11.852 854 2HD PRO 104 HD1 PRO 104 -7.371 -9.904 13.539 855 H VAL 105 HN VAL 105 -2.660 -9.651 11.189 856 HA VAL 105 HA VAL 105 -3.082 -9.548 8.432 857 HB VAL 105 HB VAL 105 -0.577 -9.456 8.219 858 1HG1 VAL 105 HG12 VAL 105 -2.321 -7.772 9.869 859 2HG1 VAL 105 HG11 VAL 105 -0.612 -7.600 10.273 860 3HG1 VAL 105 HG13 VAL 105 -1.162 -7.313 8.623 861 1HG2 VAL 105 HG23 VAL 105 -0.825 -10.719 10.835 862 2HG2 VAL 105 HG22 VAL 105 0.595 -10.563 9.803 863 3HG2 VAL 105 HG21 VAL 105 0.167 -9.263 10.915 864 H LYS 106 HN LYS 106 -3.888 -11.410 7.445 865 HA LYS 106 HA LYS 106 -2.707 -14.030 7.888 866 1HB LYS 106 HB2 LYS 106 -5.032 -13.023 6.624 867 2HB LYS 106 HB1 LYS 106 -4.108 -13.845 5.366 868 1HG LYS 106 HG2 LYS 106 -4.531 -15.141 8.054 869 2HG LYS 106 HG1 LYS 106 -5.759 -15.261 6.794 870 1HD LYS 106 HD2 LYS 106 -2.895 -15.899 6.142 871 2HD LYS 106 HD1 LYS 106 -3.894 -17.104 6.953 872 1HE LYS 106 HE2 LYS 106 -5.100 -17.526 5.081 873 2HE LYS 106 HE1 LYS 106 -5.237 -15.814 4.680 874 1HZ LYS 106 HZ2 LYS 106 -2.585 -16.939 4.402 875 2HZ LYS 106 HZ1 LYS 106 -3.739 -17.557 3.318 876 3HZ LYS 106 HZ3 LYS 106 -3.436 -15.889 3.372 877 H GLU 107 HN GLU 107 -0.539 -14.077 7.348 878 HA GLU 107 HA GLU 107 0.388 -12.858 4.828 879 1HB GLU 107 HB2 GLU 107 1.729 -14.213 7.155 880 2HB GLU 107 HB1 GLU 107 2.607 -13.928 5.654 881 1HG GLU 107 HG2 GLU 107 1.969 -11.511 5.801 882 2HG GLU 107 HG1 GLU 107 1.250 -11.839 7.377 883 H ALA 108 HN ALA 108 0.587 -13.906 2.986 884 HA ALA 108 HA ALA 108 0.087 -16.812 2.880 885 1HB ALA 108 HB2 ALA 108 -0.945 -15.110 1.278 886 2HB ALA 108 HB1 ALA 108 0.668 -14.926 0.589 887 3HB ALA 108 HB3 ALA 108 -0.149 -16.488 0.517 888 H ASP 109 HN ASP 109 1.729 -17.181 0.504 889 HA ASP 109 HA ASP 109 4.220 -17.882 1.795 890 1HB ASP 109 HB2 ASP 109 2.892 -18.627 -0.559 891 2HB ASP 109 HB1 ASP 109 4.364 -17.827 -1.113 892 H GLN 110 HN GLN 110 6.273 -17.188 0.183 893 HA GLN 110 HA GLN 110 6.422 -14.272 0.606 894 1HB GLN 110 HB2 GLN 110 8.269 -16.322 0.846 895 2HB GLN 110 HB1 GLN 110 8.733 -15.555 -0.672 896 1HG GLN 110 HG2 GLN 110 9.908 -14.247 0.849 897 2HG GLN 110 HG1 GLN 110 8.409 -13.329 0.712 898 1HE2 GLN 110 HE22 GLN 110 8.822 -13.639 4.333 899 2HE2 GLN 110 HE21 GLN 110 9.438 -12.726 3.041 900 H SER 111 HN SER 111 4.981 -13.586 -1.082 901 HA SER 111 HA SER 111 5.480 -14.336 -3.856 902 1HB SER 111 HB2 SER 111 3.791 -12.592 -4.360 903 2HB SER 111 HB1 SER 111 3.223 -13.683 -3.099 904 HG SER 111 HG SER 111 4.412 -11.123 -2.750 905 H THR 112 HN THR 112 5.470 -12.001 -5.269 906 HA THR 112 HA THR 112 8.042 -10.746 -4.419 907 HB THR 112 HB THR 112 8.271 -10.108 -6.825 908 HG1 THR 112 HG1 THR 112 5.724 -10.805 -6.846 909 1HG2 THR 112 HG21 THR 112 8.479 -12.693 -5.636 910 2HG2 THR 112 HG23 THR 112 7.939 -12.904 -7.302 911 3HG2 THR 112 HG22 THR 112 9.430 -12.025 -6.963 912 H LEU 113 HN LEU 113 8.150 -8.492 -4.256 913 HA LEU 113 HA LEU 113 5.723 -7.110 -3.674 914 1HB LEU 113 HB2 LEU 113 8.064 -6.540 -2.847 915 2HB LEU 113 HB1 LEU 113 8.335 -5.780 -4.415 916 HG LEU 113 HG LEU 113 6.368 -4.320 -4.035 917 1HD1 LEU 113 HD13 LEU 113 6.199 -6.005 -1.557 918 2HD1 LEU 113 HD12 LEU 113 5.655 -4.329 -1.489 919 3HD1 LEU 113 HD11 LEU 113 4.904 -5.454 -2.621 920 1HD2 LEU 113 HD21 LEU 113 8.865 -4.060 -2.966 921 2HD2 LEU 113 HD23 LEU 113 7.618 -2.819 -2.851 922 3HD2 LEU 113 HD22 LEU 113 7.873 -3.940 -1.514 923 H GLU 114 HN GLU 114 7.208 -7.767 -6.718 924 HA GLU 114 HA GLU 114 6.267 -5.425 -8.119 925 1HB GLU 114 HB2 GLU 114 7.671 -7.852 -8.761 926 2HB GLU 114 HB1 GLU 114 6.347 -7.632 -9.905 927 1HG GLU 114 HG2 GLU 114 7.116 -5.288 -10.286 928 2HG GLU 114 HG1 GLU 114 8.493 -5.600 -9.230 929 H ASN 115 HN ASN 115 4.977 -8.720 -7.725 930 HA ASN 115 HA ASN 115 2.535 -8.138 -9.182 931 1HB ASN 115 HB2 ASN 115 3.370 -10.398 -7.353 932 2HB ASN 115 HB1 ASN 115 1.773 -10.322 -8.098 933 1HD2 ASN 115 HD22 ASN 115 3.461 -12.197 -10.659 934 2HD2 ASN 115 HD21 ASN 115 2.521 -12.367 -9.256 935 H PHE 116 HN PHE 116 3.585 -7.581 -5.917 936 HA PHE 116 HA PHE 116 0.929 -7.545 -4.735 937 1HB PHE 116 HB2 PHE 116 2.906 -7.878 -3.325 938 2HB PHE 116 HB1 PHE 116 3.542 -6.307 -3.812 939 HD1 PHE 116 HD1 PHE 116 0.398 -7.798 -2.393 940 HD2 PHE 116 HD2 PHE 116 3.129 -4.482 -2.426 941 HE1 PHE 116 HE1 PHE 116 -0.905 -6.706 -0.586 942 HE2 PHE 116 HE2 PHE 116 1.827 -3.390 -0.621 943 HZ PHE 116 HZ PHE 116 -0.190 -4.501 0.300 944 H LEU 117 HN LEU 117 3.196 -5.028 -5.854 945 HA LEU 117 HA LEU 117 1.418 -2.832 -5.327 946 1HB LEU 117 HB2 LEU 117 4.049 -3.209 -6.413 947 2HB LEU 117 HB1 LEU 117 3.127 -2.186 -7.515 948 HG LEU 117 HG LEU 117 4.290 -0.859 -5.763 949 1HD1 LEU 117 HD12 LEU 117 1.530 -0.769 -6.491 950 2HD1 LEU 117 HD11 LEU 117 1.656 -0.305 -4.794 951 3HD1 LEU 117 HD13 LEU 117 2.575 0.571 -6.019 952 1HD2 LEU 117 HD21 LEU 117 3.892 -2.831 -4.064 953 2HD2 LEU 117 HD23 LEU 117 3.904 -1.168 -3.478 954 3HD2 LEU 117 HD22 LEU 117 2.371 -1.997 -3.748 955 H GLU 118 HN GLU 118 1.896 -4.989 -8.072 956 HA GLU 118 HA GLU 118 0.365 -3.517 -9.988 957 1HB GLU 118 HB2 GLU 118 1.483 -5.224 -11.047 958 2HB GLU 118 HB1 GLU 118 1.308 -6.324 -9.678 959 1HG GLU 118 HG2 GLU 118 -0.898 -6.908 -10.279 960 2HG GLU 118 HG1 GLU 118 -1.075 -5.507 -11.336 961 NH1 ARG 119 NH2 ARG 119 -4.688 -11.909 -7.672 962 NH2 ARG 119 NH1 ARG 119 -2.809 -13.161 -7.714 963 H ARG 119 HN ARG 119 -0.621 -6.352 -8.050 964 HA ARG 119 HA ARG 119 -3.393 -6.187 -8.655 965 1HB ARG 119 HB2 ARG 119 -2.079 -7.218 -6.121 966 2HB ARG 119 HB1 ARG 119 -3.717 -7.588 -6.657 967 1HG ARG 119 HG2 ARG 119 -1.889 -8.111 -8.813 968 2HG ARG 119 HG1 ARG 119 -1.318 -8.937 -7.362 969 1HD ARG 119 HD2 ARG 119 -4.001 -9.463 -7.242 970 2HD ARG 119 HD1 ARG 119 -3.737 -9.437 -8.986 971 HE ARG 119 HE ARG 119 -1.671 -11.011 -8.030 972 1HH1 ARG 119 HH21 ARG 119 -5.148 -11.024 -7.718 973 2HH1 ARG 119 HH22 ARG 119 -5.227 -12.741 -7.541 974 1HH2 ARG 119 HH11 ARG 119 -1.816 -13.236 -7.795 975 2HH2 ARG 119 HH12 ARG 119 -3.363 -13.984 -7.585 976 H LEU 120 HN LEU 120 -1.418 -4.251 -6.529 977 HA LEU 120 HA LEU 120 -3.529 -3.341 -4.785 978 1HB LEU 120 HB2 LEU 120 -0.720 -2.800 -5.188 979 2HB LEU 120 HB1 LEU 120 -1.606 -1.281 -5.043 980 HG LEU 120 HG LEU 120 -1.766 -3.607 -3.101 981 1HD1 LEU 120 HD13 LEU 120 0.213 -1.671 -3.349 982 2HD1 LEU 120 HD12 LEU 120 -0.860 -1.001 -2.121 983 3HD1 LEU 120 HD11 LEU 120 -0.142 -2.596 -1.890 984 1HD2 LEU 120 HD21 LEU 120 -3.477 -1.313 -3.608 985 2HD2 LEU 120 HD23 LEU 120 -3.728 -2.662 -2.501 986 3HD2 LEU 120 HD22 LEU 120 -2.808 -1.250 -1.978 987 H LYS 121 HN LYS 121 -2.019 -1.917 -7.695 988 HA LYS 121 HA LYS 121 -3.721 0.379 -7.846 989 1HB LYS 121 HB2 LYS 121 -1.532 -0.284 -9.178 990 2HB LYS 121 HB1 LYS 121 -2.689 -0.976 -10.315 991 1HG LYS 121 HG2 LYS 121 -3.785 1.155 -10.611 992 2HG LYS 121 HG1 LYS 121 -2.842 1.877 -9.305 993 1HD LYS 121 HD2 LYS 121 -1.836 2.569 -11.389 994 2HD LYS 121 HD1 LYS 121 -0.761 1.383 -10.648 995 1HE LYS 121 HE2 LYS 121 -2.014 -0.374 -12.060 996 2HE LYS 121 HE1 LYS 121 -2.655 0.994 -12.968 997 1HZ LYS 121 HZ3 LYS 121 -0.215 1.705 -13.126 998 2HZ LYS 121 HZ2 LYS 121 0.143 0.100 -12.698 999 3HZ LYS 121 HZ1 LYS 121 -0.742 0.430 -14.111 1000 H THR 122 HN THR 122 -3.822 -2.638 -9.678 1001 HA THR 122 HA THR 122 -6.179 -2.341 -11.109 1002 HB THR 122 HB THR 122 -6.262 -4.992 -10.139 1003 HG1 THR 122 HG1 THR 122 -4.229 -4.504 -9.187 1004 1HG2 THR 122 HG21 THR 122 -6.596 -4.237 -12.467 1005 2HG2 THR 122 HG23 THR 122 -4.885 -3.821 -12.572 1006 3HG2 THR 122 HG22 THR 122 -5.372 -5.504 -12.380 1007 H ILE 123 HN ILE 123 -5.896 -3.373 -7.738 1008 HA ILE 123 HA ILE 123 -8.691 -3.918 -7.362 1009 HB ILE 123 HB ILE 123 -6.467 -3.278 -5.419 1010 1HG1 ILE 123 HG12 ILE 123 -6.575 -5.457 -6.825 1011 2HG1 ILE 123 HG11 ILE 123 -6.351 -5.612 -5.082 1012 1HG2 ILE 123 HG23 ILE 123 -9.396 -3.685 -5.005 1013 2HG2 ILE 123 HG22 ILE 123 -8.296 -4.449 -3.858 1014 3HG2 ILE 123 HG21 ILE 123 -8.259 -2.701 -4.086 1015 1HD1 ILE 123 HD11 ILE 123 -9.120 -5.610 -6.266 1016 2HD1 ILE 123 HD13 ILE 123 -8.163 -7.090 -6.235 1017 3HD1 ILE 123 HD12 ILE 123 -8.576 -6.275 -4.726 1018 H MET 124 HN MET 124 -6.746 -1.022 -6.581 1019 HA MET 124 HA MET 124 -8.829 0.446 -5.333 1020 1HB MET 124 HB2 MET 124 -6.489 1.515 -6.930 1021 2HB MET 124 HB1 MET 124 -7.467 2.445 -5.795 1022 1HG MET 124 HG2 MET 124 -5.952 -0.061 -5.017 1023 2HG MET 124 HG1 MET 124 -5.296 1.567 -4.842 1024 1HE MET 124 HE2 MET 124 -5.138 2.530 -3.109 1025 2HE MET 124 HE1 MET 124 -6.601 3.493 -2.952 1026 3HE MET 124 HE3 MET 124 -6.047 2.491 -1.604 1027 NH1 ARG 125 NH2 ARG 125 -8.185 -0.338 -15.312 1028 NH2 ARG 125 NH1 ARG 125 -6.664 1.241 -15.850 1029 H ARG 125 HN ARG 125 -7.809 0.523 -8.757 1030 HA ARG 125 HA ARG 125 -9.894 2.414 -9.464 1031 1HB ARG 125 HB2 ARG 125 -7.768 2.279 -10.708 1032 2HB ARG 125 HB1 ARG 125 -8.183 0.646 -11.233 1033 1HG ARG 125 HG2 ARG 125 -10.416 2.299 -11.829 1034 2HG ARG 125 HG1 ARG 125 -8.979 3.154 -12.390 1035 1HD ARG 125 HD2 ARG 125 -9.139 0.234 -12.977 1036 2HD ARG 125 HD1 ARG 125 -10.198 1.302 -13.897 1037 HE ARG 125 HE ARG 125 -7.719 2.530 -14.050 1038 1HH1 ARG 125 HH21 ARG 125 -8.951 -0.658 -14.758 1039 2HH1 ARG 125 HH22 ARG 125 -7.810 -0.928 -16.025 1040 1HH2 ARG 125 HH11 ARG 125 -6.258 2.143 -15.706 1041 2HH2 ARG 125 HH12 ARG 125 -6.302 0.638 -16.562 1042 H GLU 126 HN GLU 126 -9.394 -0.997 -10.358 1043 HA GLU 126 HA GLU 126 -11.702 -1.521 -11.765 1044 1HB GLU 126 HB2 GLU 126 -9.986 -3.208 -11.440 1045 2HB GLU 126 HB1 GLU 126 -10.374 -3.315 -9.721 1046 1HG GLU 126 HG2 GLU 126 -12.090 -4.724 -10.118 1047 2HG GLU 126 HG1 GLU 126 -12.752 -3.661 -11.361 1048 H LYS 127 HN LYS 127 -11.480 -1.529 -8.186 1049 HA LYS 127 HA LYS 127 -14.370 -2.129 -8.040 1050 1HB LYS 127 HB2 LYS 127 -12.163 -2.613 -6.369 1051 2HB LYS 127 HB1 LYS 127 -13.142 -1.430 -5.504 1052 1HG LYS 127 HG2 LYS 127 -14.981 -3.282 -6.571 1053 2HG LYS 127 HG1 LYS 127 -13.653 -4.248 -5.931 1054 1HD LYS 127 HD2 LYS 127 -13.847 -3.213 -3.761 1055 2HD LYS 127 HD1 LYS 127 -15.001 -2.029 -4.374 1056 1HE LYS 127 HE2 LYS 127 -16.514 -3.981 -4.971 1057 2HE LYS 127 HE1 LYS 127 -15.415 -5.009 -4.053 1058 1HZ LYS 127 HZ3 LYS 127 -15.802 -3.079 -2.295 1059 2HZ LYS 127 HZ2 LYS 127 -17.285 -2.983 -3.118 1060 3HZ LYS 127 HZ1 LYS 127 -16.807 -4.442 -2.389 1061 OH TYR 128 OH TYR 128 -11.533 -0.777 -1.684 1062 H TYR 128 HN TYR 128 -12.202 0.564 -7.143 1063 HA TYR 128 HA TYR 128 -14.549 2.189 -6.397 1064 1HB TYR 128 HB2 TYR 128 -11.664 3.076 -6.458 1065 2HB TYR 128 HB1 TYR 128 -12.993 3.771 -5.529 1066 HD1 TYR 128 HD2 TYR 128 -14.344 1.290 -4.601 1067 HD2 TYR 128 HD1 TYR 128 -10.177 2.314 -4.750 1068 HE1 TYR 128 HE2 TYR 128 -13.892 -0.297 -2.754 1069 HE2 TYR 128 HE1 TYR 128 -9.722 0.722 -2.900 1070 HH TYR 128 HH TYR 128 -11.205 -1.593 -2.070 1071 H SER 129 HN SER 129 -13.965 1.405 -9.291 1072 HA SER 129 HA SER 129 -13.393 4.045 -10.490 1073 1HB SER 129 HB2 SER 129 -12.417 2.342 -11.779 1074 2HB SER 129 HB1 SER 129 -13.792 1.262 -11.571 1075 HG SER 129 HG SER 129 -14.706 2.158 -13.239 1076 H LYS 130 HN LYS 130 -16.089 1.901 -9.825 1077 HA LYS 130 HA LYS 130 -17.911 3.911 -11.080 1078 1HB LYS 130 HB2 LYS 130 -17.687 1.144 -11.570 1079 2HB LYS 130 HB1 LYS 130 -19.150 1.330 -10.607 1080 1HG LYS 130 HG2 LYS 130 -18.899 3.380 -12.691 1081 2HG LYS 130 HG1 LYS 130 -18.959 1.744 -13.344 1082 1HD LYS 130 HD2 LYS 130 -20.898 2.075 -11.207 1083 2HD LYS 130 HD1 LYS 130 -21.142 3.275 -12.477 1084 1HE LYS 130 HE2 LYS 130 -21.067 1.429 -14.166 1085 2HE LYS 130 HE1 LYS 130 -20.985 0.270 -12.840 1086 1HZ LYS 130 HZ1 LYS 130 -23.076 1.638 -12.056 1087 2HZ LYS 130 HZ3 LYS 130 -23.216 1.939 -13.718 1088 3HZ LYS 130 HZ2 LYS 130 -23.216 0.340 -13.143 1089 H CYS 131 HN CYS 131 -16.940 4.203 -8.415 1090 HA CYS 131 HA CYS 131 -18.550 3.091 -6.384 1091 1HB CYS 131 HB2 CYS 131 -16.564 4.522 -5.952 1092 2HB CYS 131 HB1 CYS 131 -17.474 5.926 -6.511 1093 H SER 132 HN SER 132 -19.122 6.054 -8.303 1094 HA SER 132 HA SER 132 -21.689 6.584 -7.079 1095 1HB SER 132 HB2 SER 132 -20.120 7.656 -9.357 1096 2HB SER 132 HB1 SER 132 -21.867 7.840 -9.480 1097 HG SER 132 HG SER 132 -21.490 9.499 -8.229 1098 H SER 133 HN SER 133 -23.638 5.666 -7.558 1099 HA SER 133 HA SER 133 -23.710 3.737 -9.827 1100 1HB SER 133 HB2 SER 133 -25.311 4.017 -7.287 1101 2HB SER 133 HB1 SER 133 -25.901 3.041 -8.629 1102 HG SER 133 HG SER 133 -24.593 1.557 -7.949 Start of MODEL 10 Raw file had 1102 H/Q atoms Start of MODEL 10 1 1H GLU 1 HT1 GLU 1 -15.481 3.109 12.372 2 2H GLU 1 HT3 GLU 1 -14.038 2.906 13.240 3 3H GLU 1 HT2 GLU 1 -15.526 2.512 13.962 4 HA GLU 1 HA GLU 1 -15.285 4.531 14.905 5 1HB GLU 1 HB2 GLU 1 -13.029 4.698 13.606 6 2HB GLU 1 HB1 GLU 1 -13.945 5.687 12.469 7 1HG GLU 1 HG2 GLU 1 -14.678 6.659 14.989 8 2HG GLU 1 HG1 GLU 1 -12.940 6.383 15.107 9 H ALA 2 HN ALA 2 -15.582 5.121 11.376 10 HA ALA 2 HA ALA 2 -17.912 6.843 11.878 11 1HB ALA 2 HB2 ALA 2 -15.953 6.790 9.920 12 2HB ALA 2 HB1 ALA 2 -17.364 6.137 9.085 13 3HB ALA 2 HB3 ALA 2 -17.445 7.727 9.845 14 H GLU 3 HN GLU 3 -19.503 6.274 9.659 15 HA GLU 3 HA GLU 3 -20.209 3.411 9.783 16 1HB GLU 3 HB2 GLU 3 -21.638 5.505 11.252 17 2HB GLU 3 HB1 GLU 3 -22.688 4.598 10.162 18 1HG GLU 3 HG2 GLU 3 -22.594 2.753 11.459 19 2HG GLU 3 HG1 GLU 3 -20.839 2.855 11.597 20 H ALA 4 HN ALA 4 -21.428 6.606 8.705 21 HA ALA 4 HA ALA 4 -21.469 5.596 5.929 22 1HB ALA 4 HB1 ALA 4 -23.735 5.164 7.173 23 2HB ALA 4 HB3 ALA 4 -23.970 6.900 6.974 24 3HB ALA 4 HB2 ALA 4 -23.765 5.871 5.557 25 H HIS 5 HN HIS 5 -19.683 7.393 6.594 26 HA HIS 5 HA HIS 5 -20.827 10.113 6.209 27 1HB HIS 5 HB2 HIS 5 -18.850 9.225 7.882 28 2HB HIS 5 HB1 HIS 5 -17.904 9.800 6.510 29 HD1 HIS 5 HD1 HIS 5 -20.291 12.017 5.904 30 HD2 HIS 5 HD2 HIS 5 -17.984 11.575 9.348 31 HE1 HIS 5 HE1 HIS 5 -20.328 14.258 7.084 32 H LYS 6 HN LYS 6 -18.610 11.310 4.955 33 HA LYS 6 HA LYS 6 -19.033 10.424 2.200 34 1HB LYS 6 HB2 LYS 6 -17.314 12.600 3.424 35 2HB LYS 6 HB1 LYS 6 -17.407 12.297 1.688 36 1HG LYS 6 HG2 LYS 6 -20.021 12.426 2.153 37 2HG LYS 6 HG1 LYS 6 -19.493 13.385 3.537 38 1HD LYS 6 HD2 LYS 6 -18.343 14.950 2.112 39 2HD LYS 6 HD1 LYS 6 -18.579 13.920 0.700 40 1HE LYS 6 HE2 LYS 6 -21.071 14.618 2.109 41 2HE LYS 6 HE1 LYS 6 -20.232 15.996 1.397 42 1HZ LYS 6 HZ3 LYS 6 -20.324 13.692 -0.318 43 2HZ LYS 6 HZ2 LYS 6 -21.863 14.302 0.066 44 3HZ LYS 6 HZ1 LYS 6 -20.703 15.311 -0.656 45 H CYS 7 HN CYS 7 -18.097 8.279 2.333 46 HA CYS 7 HA CYS 7 -15.222 8.080 2.947 47 1HB CYS 7 HB2 CYS 7 -15.842 6.004 3.543 48 2HB CYS 7 HB1 CYS 7 -17.464 6.288 2.914 49 H ASP 8 HN ASP 8 -17.293 8.323 0.145 50 HA ASP 8 HA ASP 8 -15.549 7.149 -1.787 51 1HB ASP 8 HB2 ASP 8 -17.963 7.828 -2.142 52 2HB ASP 8 HB1 ASP 8 -17.401 9.495 -2.260 53 H ILE 9 HN ILE 9 -15.362 10.182 -0.084 54 HA ILE 9 HA ILE 9 -13.691 11.546 -2.020 55 HB ILE 9 HB ILE 9 -14.268 11.981 0.914 56 1HG1 ILE 9 HG12 ILE 9 -14.885 13.650 -1.543 57 2HG1 ILE 9 HG11 ILE 9 -16.011 12.497 -0.828 58 1HG2 ILE 9 HG23 ILE 9 -12.204 13.212 -0.855 59 2HG2 ILE 9 HG22 ILE 9 -13.105 14.290 0.213 60 3HG2 ILE 9 HG21 ILE 9 -12.178 12.952 0.890 61 1HD1 ILE 9 HD11 ILE 9 -15.752 13.753 1.359 62 2HD1 ILE 9 HD13 ILE 9 -14.869 14.988 0.461 63 3HD1 ILE 9 HD12 ILE 9 -16.559 14.657 0.078 64 H THR 10 HN THR 10 -12.835 10.322 1.237 65 HA THR 10 HA THR 10 -10.024 10.445 0.841 66 HB THR 10 HB THR 10 -11.517 8.476 2.587 67 HG1 THR 10 HG1 THR 10 -11.841 10.080 3.950 68 1HG2 THR 10 HG21 THR 10 -8.736 9.056 2.148 69 2HG2 THR 10 HG23 THR 10 -9.168 9.536 3.789 70 3HG2 THR 10 HG22 THR 10 -9.450 7.880 3.250 71 H LEU 11 HN LEU 11 -12.361 8.031 -0.119 72 HA LEU 11 HA LEU 11 -10.529 5.862 -0.526 73 1HB LEU 11 HB2 LEU 11 -13.330 6.449 -1.122 74 2HB LEU 11 HB1 LEU 11 -12.558 5.476 -2.373 75 HG LEU 11 HG LEU 11 -13.562 4.085 -0.559 76 1HD1 LEU 11 HD12 LEU 11 -10.915 3.964 -1.641 77 2HD1 LEU 11 HD11 LEU 11 -10.861 3.374 0.021 78 3HD1 LEU 11 HD13 LEU 11 -11.954 2.627 -1.144 79 1HD2 LEU 11 HD22 LEU 11 -13.060 5.792 1.249 80 2HD2 LEU 11 HD21 LEU 11 -12.634 4.133 1.667 81 3HD2 LEU 11 HD23 LEU 11 -11.378 5.269 1.178 82 H GLN 12 HN GLN 12 -12.096 7.900 -3.041 83 HA GLN 12 HA GLN 12 -10.475 7.021 -5.177 84 1HB GLN 12 HB2 GLN 12 -11.077 9.159 -6.295 85 2HB GLN 12 HB1 GLN 12 -12.474 8.376 -5.556 86 1HG GLN 12 HG2 GLN 12 -12.019 9.832 -3.502 87 2HG GLN 12 HG1 GLN 12 -10.916 10.752 -4.525 88 1HE2 GLN 12 HE22 GLN 12 -13.825 12.684 -5.255 89 2HE2 GLN 12 HE21 GLN 12 -12.386 12.638 -4.356 90 H GLU 13 HN GLU 13 -9.906 9.714 -2.916 91 HA GLU 13 HA GLU 13 -7.514 10.674 -4.145 92 1HB GLU 13 HB2 GLU 13 -9.007 11.411 -1.954 93 2HB GLU 13 HB1 GLU 13 -7.549 10.765 -1.199 94 1HG GLU 13 HG2 GLU 13 -6.264 12.485 -1.931 95 2HG GLU 13 HG1 GLU 13 -7.019 12.489 -3.526 96 H ILE 14 HN ILE 14 -8.131 8.048 -1.893 97 HA ILE 14 HA ILE 14 -5.388 7.491 -1.248 98 HB ILE 14 HB ILE 14 -7.960 6.427 -0.614 99 1HG1 ILE 14 HG12 ILE 14 -5.367 5.407 0.514 100 2HG1 ILE 14 HG11 ILE 14 -5.847 7.084 0.783 101 1HG2 ILE 14 HG22 ILE 14 -5.958 4.324 -1.492 102 2HG2 ILE 14 HG21 ILE 14 -7.465 4.012 -0.637 103 3HG2 ILE 14 HG23 ILE 14 -7.505 4.661 -2.274 104 1HD1 ILE 14 HD11 ILE 14 -8.071 6.214 1.615 105 2HD1 ILE 14 HD13 ILE 14 -7.385 4.591 1.551 106 3HD1 ILE 14 HD12 ILE 14 -6.695 5.799 2.633 107 H ILE 15 HN ILE 15 -7.492 6.589 -3.913 108 HA ILE 15 HA ILE 15 -5.837 4.476 -4.957 109 HB ILE 15 HB ILE 15 -8.084 6.162 -5.965 110 1HG1 ILE 15 HG12 ILE 15 -8.538 3.590 -6.723 111 2HG1 ILE 15 HG11 ILE 15 -7.457 3.326 -5.354 112 1HG2 ILE 15 HG23 ILE 15 -6.104 4.682 -7.699 113 2HG2 ILE 15 HG22 ILE 15 -7.769 4.948 -8.213 114 3HG2 ILE 15 HG21 ILE 15 -6.713 6.324 -7.894 115 1HD1 ILE 15 HD11 ILE 15 -9.914 5.092 -5.239 116 2HD1 ILE 15 HD13 ILE 15 -9.892 3.406 -4.724 117 3HD1 ILE 15 HD12 ILE 15 -8.896 4.597 -3.886 118 H LYS 16 HN LYS 16 -6.041 7.972 -5.634 119 HA LYS 16 HA LYS 16 -4.079 8.057 -7.694 120 1HB LYS 16 HB2 LYS 16 -5.544 9.941 -6.169 121 2HB LYS 16 HB1 LYS 16 -3.842 10.351 -5.951 122 1HG LYS 16 HG2 LYS 16 -4.273 11.500 -7.914 123 2HG LYS 16 HG1 LYS 16 -3.769 9.947 -8.579 124 1HD LYS 16 HD2 LYS 16 -5.761 10.223 -9.720 125 2HD LYS 16 HD1 LYS 16 -6.356 9.386 -8.286 126 1HE LYS 16 HE2 LYS 16 -7.095 11.417 -7.283 127 2HE LYS 16 HE1 LYS 16 -6.200 12.400 -8.441 128 1HZ LYS 16 HZ2 LYS 16 -7.975 10.631 -9.770 129 2HZ LYS 16 HZ1 LYS 16 -8.820 11.578 -8.641 130 3HZ LYS 16 HZ3 LYS 16 -7.892 12.326 -9.849 131 H THR 17 HN THR 17 -3.773 8.361 -4.169 132 HA THR 17 HA THR 17 -0.963 8.675 -4.009 133 HB THR 17 HB THR 17 -2.634 7.049 -2.076 134 HG1 THR 17 HG1 THR 17 -3.421 8.896 -1.291 135 1HG2 THR 17 HG22 THR 17 -0.089 7.282 -1.847 136 2HG2 THR 17 HG21 THR 17 -0.392 8.985 -1.502 137 3HG2 THR 17 HG23 THR 17 -1.056 7.741 -0.445 138 H LEU 18 HN LEU 18 -2.974 5.826 -4.463 139 HA LEU 18 HA LEU 18 -1.090 3.775 -4.024 140 1HB LEU 18 HB2 LEU 18 -3.665 3.794 -4.798 141 2HB LEU 18 HB1 LEU 18 -2.917 3.522 -6.369 142 HG LEU 18 HG LEU 18 -2.760 1.801 -3.896 143 1HD1 LEU 18 HD12 LEU 18 -4.452 1.665 -5.958 144 2HD1 LEU 18 HD11 LEU 18 -3.097 0.814 -6.697 145 3HD1 LEU 18 HD13 LEU 18 -3.810 0.207 -5.205 146 1HD2 LEU 18 HD21 LEU 18 -0.896 1.860 -6.285 147 2HD2 LEU 18 HD23 LEU 18 -0.461 1.970 -4.579 148 3HD2 LEU 18 HD22 LEU 18 -1.064 0.451 -5.239 149 H ASN 19 HN ASN 19 -1.849 5.497 -7.062 150 HA ASN 19 HA ASN 19 0.142 4.237 -8.658 151 1HB ASN 19 HB2 ASN 19 -1.284 6.886 -8.823 152 2HB ASN 19 HB1 ASN 19 -0.032 6.461 -9.991 153 1HD2 ASN 19 HD22 ASN 19 -3.686 4.705 -10.224 154 2HD2 ASN 19 HD21 ASN 19 -3.328 5.834 -9.008 155 H SER 20 HN SER 20 0.344 6.924 -6.389 156 HA SER 20 HA SER 20 2.896 7.926 -7.240 157 1HB SER 20 HB2 SER 20 1.548 7.979 -4.526 158 2HB SER 20 HB1 SER 20 3.017 8.871 -4.917 159 HG SER 20 HG SER 20 0.853 9.119 -6.653 160 H LEU 21 HN LEU 21 1.998 5.357 -4.946 161 HA LEU 21 HA LEU 21 4.676 4.922 -3.985 162 1HB LEU 21 HB2 LEU 21 2.400 2.924 -4.116 163 2HB LEU 21 HB1 LEU 21 3.821 2.830 -3.077 164 HG LEU 21 HG LEU 21 1.795 5.083 -2.994 165 1HD1 LEU 21 HD12 LEU 21 2.120 2.587 -1.313 166 2HD1 LEU 21 HD11 LEU 21 1.202 3.993 -0.772 167 3HD1 LEU 21 HD13 LEU 21 0.690 3.104 -2.206 168 1HD2 LEU 21 HD23 LEU 21 4.190 4.330 -1.296 169 2HD2 LEU 21 HD22 LEU 21 3.944 5.824 -2.201 170 3HD2 LEU 21 HD21 LEU 21 2.964 5.487 -0.773 171 H THR 22 HN THR 22 3.174 4.146 -6.990 172 HA THR 22 HA THR 22 5.033 1.916 -7.537 173 HB THR 22 HB THR 22 3.339 3.051 -9.700 174 HG1 THR 22 HG1 THR 22 1.623 1.667 -8.602 175 1HG2 THR 22 HG22 THR 22 4.158 0.344 -8.665 176 2HG2 THR 22 HG21 THR 22 2.831 0.506 -9.816 177 3HG2 THR 22 HG23 THR 22 4.449 1.053 -10.254 178 H GLU 23 HN GLU 23 5.936 4.825 -7.192 179 HA GLU 23 HA GLU 23 6.859 5.524 -9.891 180 1HB GLU 23 HB2 GLU 23 6.273 7.021 -7.667 181 2HB GLU 23 HB1 GLU 23 8.034 6.952 -7.591 182 1HG GLU 23 HG2 GLU 23 7.535 8.858 -8.933 183 2HG GLU 23 HG1 GLU 23 8.018 7.599 -10.069 184 H GLN 24 HN GLN 24 8.120 4.022 -6.975 185 HA GLN 24 HA GLN 24 10.825 3.875 -8.233 186 1HB GLN 24 HB2 GLN 24 10.633 4.722 -5.874 187 2HB GLN 24 HB1 GLN 24 10.014 3.136 -5.409 188 1HG GLN 24 HG2 GLN 24 12.085 2.249 -5.387 189 2HG GLN 24 HG1 GLN 24 12.442 2.896 -6.987 190 1HE2 GLN 24 HE22 GLN 24 14.781 5.022 -5.406 191 2HE2 GLN 24 HE21 GLN 24 14.532 3.768 -6.522 192 H LYS 25 HN LYS 25 9.264 2.296 -9.605 193 HA LYS 25 HA LYS 25 9.070 -0.368 -8.367 194 1HB LYS 25 HB2 LYS 25 7.235 0.387 -9.802 195 2HB LYS 25 HB1 LYS 25 8.355 0.605 -11.146 196 1HG LYS 25 HG2 LYS 25 8.567 -1.661 -11.520 197 2HG LYS 25 HG1 LYS 25 8.297 -2.071 -9.826 198 1HD LYS 25 HD2 LYS 25 5.937 -1.717 -10.019 199 2HD LYS 25 HD1 LYS 25 6.114 -0.959 -11.601 200 1HE LYS 25 HE2 LYS 25 6.434 -2.975 -12.685 201 2HE LYS 25 HE1 LYS 25 7.139 -3.747 -11.265 202 1HZ LYS 25 HZ2 LYS 25 4.408 -2.926 -10.898 203 2HZ LYS 25 HZ1 LYS 25 4.599 -4.085 -12.125 204 3HZ LYS 25 HZ3 LYS 25 5.148 -4.416 -10.555 205 H THR 26 HN THR 26 11.559 -0.324 -8.153 206 HA THR 26 HA THR 26 12.650 -2.031 -10.205 207 HB THR 26 HB THR 26 14.532 0.086 -10.273 208 HG1 THR 26 HG1 THR 26 12.833 1.467 -9.701 209 1HG2 THR 26 HG23 THR 26 13.947 -1.689 -11.994 210 2HG2 THR 26 HG22 THR 26 12.554 -0.695 -12.424 211 3HG2 THR 26 HG21 THR 26 14.188 -0.066 -12.639 212 H LEU 27 HN LEU 27 13.806 0.383 -7.812 213 HA LEU 27 HA LEU 27 15.840 -1.551 -6.909 214 1HB LEU 27 HB2 LEU 27 15.530 1.312 -6.889 215 2HB LEU 27 HB1 LEU 27 15.841 0.743 -5.250 216 HG LEU 27 HG LEU 27 17.534 -0.601 -7.216 217 1HD1 LEU 27 HD11 LEU 27 17.429 2.400 -7.117 218 2HD1 LEU 27 HD13 LEU 27 18.971 1.587 -7.378 219 3HD1 LEU 27 HD12 LEU 27 17.643 1.342 -8.512 220 1HD2 LEU 27 HD21 LEU 27 18.075 1.110 -4.768 221 2HD2 LEU 27 HD23 LEU 27 17.916 -0.646 -4.788 222 3HD2 LEU 27 HD22 LEU 27 19.279 0.126 -5.600 223 H CYS 28 HN CYS 28 12.960 0.074 -5.601 224 HA CYS 28 HA CYS 28 13.277 -1.411 -3.066 225 1HB CYS 28 HB2 CYS 28 11.734 0.928 -3.970 226 2HB CYS 28 HB1 CYS 28 10.873 -0.123 -2.847 227 H THR 29 HN THR 29 11.276 -1.517 -5.972 228 HA THR 29 HA THR 29 9.299 -3.305 -4.841 229 HB THR 29 HB THR 29 8.918 -3.822 -7.377 230 HG1 THR 29 HG1 THR 29 10.271 -2.878 -8.645 231 1HG2 THR 29 HG22 THR 29 7.544 -2.328 -5.908 232 2HG2 THR 29 HG21 THR 29 8.609 -0.989 -6.339 233 3HG2 THR 29 HG23 THR 29 7.628 -1.771 -7.579 234 H GLU 30 HN GLU 30 12.563 -3.822 -5.628 235 HA GLU 30 HA GLU 30 12.159 -6.653 -6.376 236 1HB GLU 30 HB2 GLU 30 14.445 -4.740 -6.353 237 2HB GLU 30 HB1 GLU 30 14.830 -6.441 -6.082 238 1HG GLU 30 HG2 GLU 30 13.899 -7.096 -8.165 239 2HG GLU 30 HG1 GLU 30 13.062 -5.556 -8.364 240 H LEU 31 HN LEU 31 11.039 -6.399 -4.009 241 HA LEU 31 HA LEU 31 12.917 -7.731 -2.156 242 1HB LEU 31 HB2 LEU 31 11.525 -5.115 -1.707 243 2HB LEU 31 HB1 LEU 31 11.672 -6.225 -0.344 244 HG LEU 31 HG LEU 31 14.155 -5.940 -1.886 245 1HD1 LEU 31 HD13 LEU 31 12.689 -3.554 -0.897 246 2HD1 LEU 31 HD12 LEU 31 14.396 -3.645 -0.463 247 3HD1 LEU 31 HD11 LEU 31 13.915 -3.678 -2.159 248 1HD2 LEU 31 HD21 LEU 31 13.379 -6.772 0.626 249 2HD2 LEU 31 HD23 LEU 31 15.039 -6.403 0.156 250 3HD2 LEU 31 HD22 LEU 31 14.055 -5.176 0.956 251 H THR 32 HN THR 32 11.766 -9.630 -2.384 252 HA THR 32 HA THR 32 9.070 -10.098 -2.689 253 HB THR 32 HB THR 32 9.516 -12.227 -1.274 254 HG1 THR 32 HG1 THR 32 12.033 -12.324 -1.412 255 1HG2 THR 32 HG21 THR 32 11.158 -11.484 -3.709 256 2HG2 THR 32 HG23 THR 32 10.950 -13.132 -3.120 257 3HG2 THR 32 HG22 THR 32 9.558 -12.222 -3.703 258 H VAL 33 HN VAL 33 7.300 -9.641 -1.570 259 HA VAL 33 HA VAL 33 7.501 -9.207 1.382 260 HB VAL 33 HB VAL 33 5.837 -7.466 1.190 261 1HG1 VAL 33 HG13 VAL 33 8.367 -7.214 0.247 262 2HG1 VAL 33 HG12 VAL 33 7.457 -6.734 -1.185 263 3HG1 VAL 33 HG11 VAL 33 7.231 -5.869 0.335 264 1HG2 VAL 33 HG23 VAL 33 5.379 -8.772 -1.403 265 2HG2 VAL 33 HG22 VAL 33 4.271 -7.816 -0.418 266 3HG2 VAL 33 HG21 VAL 33 5.403 -7.011 -1.505 267 H THR 34 HN THR 34 4.622 -8.961 1.673 268 HA THR 34 HA THR 34 3.953 -11.831 1.471 269 HB THR 34 HB THR 34 3.316 -9.689 3.280 270 HG1 THR 34 HG1 THR 34 3.734 -11.521 4.244 271 1HG2 THR 34 HG21 THR 34 0.900 -11.089 2.095 272 2HG2 THR 34 HG23 THR 34 0.894 -10.077 3.534 273 3HG2 THR 34 HG22 THR 34 1.262 -9.367 1.966 274 H ASP 35 HN ASP 35 1.994 -12.563 0.494 275 HA ASP 35 HA ASP 35 0.902 -10.691 -1.568 276 1HB ASP 35 HB2 ASP 35 2.159 -12.749 -2.389 277 2HB ASP 35 HB1 ASP 35 0.870 -13.719 -1.676 278 H ILE 36 HN ILE 36 -0.959 -9.918 -0.606 279 HA ILE 36 HA ILE 36 -2.645 -11.787 0.947 280 HB ILE 36 HB ILE 36 -3.768 -9.864 1.769 281 1HG1 ILE 36 HG12 ILE 36 -2.574 -8.468 -0.641 282 2HG1 ILE 36 HG11 ILE 36 -4.283 -8.699 -0.270 283 1HG2 ILE 36 HG21 ILE 36 -1.168 -10.172 2.202 284 2HG2 ILE 36 HG23 ILE 36 -1.067 -8.648 1.321 285 3HG2 ILE 36 HG22 ILE 36 -2.015 -8.747 2.804 286 1HD1 ILE 36 HD13 ILE 36 -3.756 -7.363 1.902 287 2HD1 ILE 36 HD12 ILE 36 -2.306 -6.844 1.044 288 3HD1 ILE 36 HD11 ILE 36 -3.901 -6.474 0.387 289 H PHE 37 HN PHE 37 -2.388 -11.871 -2.089 290 HA PHE 37 HA PHE 37 -5.305 -11.578 -2.675 291 1HB PHE 37 HB2 PHE 37 -2.972 -11.244 -4.587 292 2HB PHE 37 HB1 PHE 37 -4.677 -11.151 -5.029 293 HD1 PHE 37 HD2 PHE 37 -6.128 -9.361 -3.994 294 HD2 PHE 37 HD1 PHE 37 -1.851 -9.387 -3.600 295 HE1 PHE 37 HE2 PHE 37 -6.176 -6.972 -3.334 296 HE2 PHE 37 HE1 PHE 37 -1.898 -6.998 -2.939 297 HZ PHE 37 HZ PHE 37 -4.061 -5.791 -2.806 298 H ALA 38 HN ALA 38 -3.874 -13.890 -1.582 299 HA ALA 38 HA ALA 38 -3.465 -15.799 -3.736 300 1HB ALA 38 HB3 ALA 38 -3.453 -15.863 -0.757 301 2HB ALA 38 HB2 ALA 38 -3.744 -17.389 -1.591 302 3HB ALA 38 HB1 ALA 38 -2.262 -16.485 -1.899 303 H ALA 39 HN ALA 39 -6.099 -15.100 -1.458 304 HA ALA 39 HA ALA 39 -7.975 -16.450 -3.297 305 1HB ALA 39 HB1 ALA 39 -6.954 -17.956 -1.266 306 2HB ALA 39 HB3 ALA 39 -8.353 -17.236 -0.468 307 3HB ALA 39 HB2 ALA 39 -8.569 -18.186 -1.938 308 H SER 40 HN SER 40 -9.120 -14.536 -3.598 309 HA SER 40 HA SER 40 -10.100 -13.134 -1.154 310 1HB SER 40 HB2 SER 40 -10.846 -11.448 -3.048 311 2HB SER 40 HB1 SER 40 -9.172 -11.484 -2.503 312 HG SER 40 HG SER 40 -8.591 -12.297 -4.365 313 H LYS 41 HN LYS 41 -11.345 -15.553 -1.646 314 HA LYS 41 HA LYS 41 -13.684 -15.269 -3.328 315 1HB LYS 41 HB2 LYS 41 -12.435 -17.366 -1.969 316 2HB LYS 41 HB1 LYS 41 -13.989 -17.185 -1.155 317 1HG LYS 41 HG2 LYS 41 -15.163 -17.320 -3.300 318 2HG LYS 41 HG1 LYS 41 -13.625 -17.427 -4.157 319 1HD LYS 41 HD2 LYS 41 -13.138 -19.497 -2.732 320 2HD LYS 41 HD1 LYS 41 -14.840 -19.450 -2.267 321 1HE LYS 41 HE2 LYS 41 -15.320 -20.567 -4.162 322 2HE LYS 41 HE1 LYS 41 -14.818 -19.139 -5.065 323 1HZ LYS 41 HZ2 LYS 41 -13.020 -21.323 -4.164 324 2HZ LYS 41 HZ1 LYS 41 -13.596 -21.116 -5.748 325 3HZ LYS 41 HZ3 LYS 41 -12.557 -19.961 -5.067 326 H ASP 42 HN ASP 42 -12.924 -14.299 -0.062 327 HA ASP 42 HA ASP 42 -15.610 -13.107 0.151 328 1HB ASP 42 HB2 ASP 42 -15.879 -14.075 2.480 329 2HB ASP 42 HB1 ASP 42 -16.059 -15.237 1.166 330 H THR 43 HN THR 43 -13.702 -11.436 -0.179 331 HA THR 43 HA THR 43 -12.755 -10.621 2.540 332 HB THR 43 HB THR 43 -11.192 -9.232 0.710 333 HG1 THR 43 HG1 THR 43 -11.350 -11.938 -0.098 334 1HG2 THR 43 HG21 THR 43 -10.888 -11.533 2.553 335 2HG2 THR 43 HG23 THR 43 -9.604 -11.324 1.364 336 3HG2 THR 43 HG22 THR 43 -9.989 -10.018 2.484 337 H THR 44 HN THR 44 -12.068 -8.015 2.064 338 HA THR 44 HA THR 44 -14.315 -6.704 0.673 339 HB THR 44 HB THR 44 -14.279 -5.324 3.078 340 HG1 THR 44 HG1 THR 44 -14.753 -7.227 4.490 341 1HG2 THR 44 HG21 THR 44 -16.076 -7.086 1.579 342 2HG2 THR 44 HG23 THR 44 -16.407 -7.077 3.311 343 3HG2 THR 44 HG22 THR 44 -16.423 -5.566 2.403 344 H GLU 45 HN GLU 45 -14.032 -4.184 1.046 345 HA GLU 45 HA GLU 45 -11.338 -3.566 0.147 346 1HB GLU 45 HB2 GLU 45 -12.134 -1.261 0.001 347 2HB GLU 45 HB1 GLU 45 -13.364 -2.338 -0.661 348 1HG GLU 45 HG2 GLU 45 -14.369 -2.334 1.724 349 2HG GLU 45 HG1 GLU 45 -13.353 -0.919 2.000 350 H LYS 46 HN LYS 46 -13.190 -3.110 3.136 351 HA LYS 46 HA LYS 46 -11.128 -1.581 4.472 352 1HB LYS 46 HB2 LYS 46 -12.408 -2.245 6.563 353 2HB LYS 46 HB1 LYS 46 -13.366 -1.417 5.337 354 1HG LYS 46 HG2 LYS 46 -14.675 -3.230 4.970 355 2HG LYS 46 HG1 LYS 46 -13.303 -4.334 4.995 356 1HD LYS 46 HD2 LYS 46 -14.435 -4.993 6.917 357 2HD LYS 46 HD1 LYS 46 -13.303 -3.811 7.578 358 1HE LYS 46 HE2 LYS 46 -15.198 -2.084 7.098 359 2HE LYS 46 HE1 LYS 46 -16.246 -3.500 7.031 360 1HZ LYS 46 HZ2 LYS 46 -14.433 -2.881 9.297 361 2HZ LYS 46 HZ1 LYS 46 -16.083 -2.477 9.262 362 3HZ LYS 46 HZ3 LYS 46 -15.609 -4.105 9.231 363 H GLU 47 HN GLU 47 -11.760 -5.005 4.021 364 HA GLU 47 HA GLU 47 -9.889 -5.876 6.076 365 1HB GLU 47 HB2 GLU 47 -11.414 -7.195 3.849 366 2HB GLU 47 HB1 GLU 47 -10.060 -8.055 4.583 367 1HG GLU 47 HG2 GLU 47 -11.073 -7.787 6.808 368 2HG GLU 47 HG1 GLU 47 -12.420 -6.897 6.095 369 H THR 48 HN THR 48 -9.776 -5.132 2.637 370 HA THR 48 HA THR 48 -7.096 -6.190 2.245 371 HB THR 48 HB THR 48 -8.982 -4.484 0.651 372 HG1 THR 48 HG1 THR 48 -8.365 -6.214 -0.858 373 1HG2 THR 48 HG21 THR 48 -6.006 -4.692 0.330 374 2HG2 THR 48 HG23 THR 48 -7.027 -4.583 -1.104 375 3HG2 THR 48 HG22 THR 48 -7.056 -3.293 0.100 376 H PHE 49 HN PHE 49 -8.444 -3.139 3.333 377 HA PHE 49 HA PHE 49 -5.999 -1.620 2.920 378 1HB PHE 49 HB2 PHE 49 -8.433 -1.070 4.644 379 2HB PHE 49 HB1 PHE 49 -7.111 0.068 4.403 380 HD1 PHE 49 HD2 PHE 49 -6.506 -0.412 1.501 381 HD2 PHE 49 HD1 PHE 49 -10.253 -0.012 3.564 382 HE1 PHE 49 HE2 PHE 49 -7.572 0.370 -0.583 383 HE2 PHE 49 HE1 PHE 49 -11.318 0.777 1.471 384 HZ PHE 49 HZ PHE 49 -9.977 0.969 -0.605 385 H CYS 50 HN CYS 50 -7.426 -3.406 5.631 386 HA CYS 50 HA CYS 50 -5.407 -2.504 7.522 387 1HB CYS 50 HB2 CYS 50 -7.805 -3.524 7.940 388 2HB CYS 50 HB1 CYS 50 -6.940 -5.059 7.883 389 NH1 ARG 51 NH2 ARG 51 -7.549 -11.627 3.870 390 NH2 ARG 51 NH1 ARG 51 -5.599 -12.766 3.917 391 H ARG 51 HN ARG 51 -5.944 -5.629 5.843 392 HA ARG 51 HA ARG 51 -3.614 -6.922 6.793 393 1HB ARG 51 HB2 ARG 51 -5.109 -7.188 4.174 394 2HB ARG 51 HB1 ARG 51 -3.774 -8.247 4.627 395 1HG ARG 51 HG2 ARG 51 -4.952 -9.091 6.521 396 2HG ARG 51 HG1 ARG 51 -6.173 -7.822 6.417 397 1HD ARG 51 HD2 ARG 51 -7.314 -9.570 5.407 398 2HD ARG 51 HD1 ARG 51 -6.547 -8.839 3.996 399 HE ARG 51 HE ARG 51 -4.689 -10.695 4.862 400 1HH1 ARG 51 HH21 ARG 51 -8.079 -10.798 4.039 401 2HH1 ARG 51 HH22 ARG 51 -7.998 -12.432 3.483 402 1HH2 ARG 51 HH11 ARG 51 -4.623 -12.809 4.126 403 2HH2 ARG 51 HH12 ARG 51 -6.064 -13.562 3.529 404 H ALA 52 HN ALA 52 -4.030 -5.130 3.719 405 HA ALA 52 HA ALA 52 -1.262 -5.251 2.998 406 1HB ALA 52 HB1 ALA 52 -3.509 -3.392 2.210 407 2HB ALA 52 HB3 ALA 52 -1.882 -3.235 1.548 408 3HB ALA 52 HB2 ALA 52 -2.808 -4.710 1.272 409 H ALA 53 HN ALA 53 -3.065 -3.131 5.135 410 HA ALA 53 HA ALA 53 -1.102 -1.019 5.237 411 1HB ALA 53 HB3 ALA 53 -3.338 -1.893 7.066 412 2HB ALA 53 HB2 ALA 53 -2.239 -0.597 7.534 413 3HB ALA 53 HB1 ALA 53 -3.231 -0.433 6.085 414 H THR 54 HN THR 54 -1.427 -4.135 6.825 415 HA THR 54 HA THR 54 0.536 -3.654 8.894 416 HB THR 54 HB THR 54 -0.788 -6.069 7.704 417 HG1 THR 54 HG1 THR 54 -0.456 -5.930 10.382 418 1HG2 THR 54 HG21 THR 54 1.787 -6.042 9.273 419 2HG2 THR 54 HG23 THR 54 0.687 -7.418 9.337 420 3HG2 THR 54 HG22 THR 54 1.409 -6.936 7.802 421 H VAL 55 HN VAL 55 0.630 -5.241 5.700 422 HA VAL 55 HA VAL 55 3.466 -5.714 5.715 423 HB VAL 55 HB VAL 55 1.619 -5.278 3.339 424 1HG1 VAL 55 HG13 VAL 55 4.405 -5.565 3.448 425 2HG1 VAL 55 HG12 VAL 55 3.811 -7.176 3.047 426 3HG1 VAL 55 HG11 VAL 55 3.385 -5.799 2.029 427 1HG2 VAL 55 HG21 VAL 55 2.117 -7.583 5.182 428 2HG2 VAL 55 HG23 VAL 55 0.627 -7.096 4.373 429 3HG2 VAL 55 HG22 VAL 55 1.889 -7.935 3.469 430 H LEU 56 HN LEU 56 1.540 -2.864 5.216 431 HA LEU 56 HA LEU 56 3.588 -1.355 3.784 432 1HB LEU 56 HB2 LEU 56 0.988 -0.605 5.145 433 2HB LEU 56 HB1 LEU 56 2.051 0.596 4.409 434 HG LEU 56 HG LEU 56 1.210 -1.816 2.825 435 1HD1 LEU 56 HD12 LEU 56 -0.545 0.279 3.843 436 2HD1 LEU 56 HD11 LEU 56 -0.500 0.267 2.081 437 3HD1 LEU 56 HD13 LEU 56 -0.958 -1.191 2.960 438 1HD2 LEU 56 HD23 LEU 56 2.812 0.428 2.366 439 2HD2 LEU 56 HD22 LEU 56 2.192 -0.680 1.142 440 3HD2 LEU 56 HD21 LEU 56 1.301 0.791 1.532 441 NH1 ARG 57 NH2 ARG 57 0.283 -0.723 13.652 442 NH2 ARG 57 NH1 ARG 57 0.685 1.433 14.194 443 H ARG 57 HN ARG 57 2.656 -1.934 7.113 444 HA ARG 57 HA ARG 57 4.123 0.263 8.274 445 1HB ARG 57 HB2 ARG 57 2.519 -1.951 9.193 446 2HB ARG 57 HB1 ARG 57 4.020 -1.892 10.119 447 1HG ARG 57 HG2 ARG 57 3.630 0.499 10.599 448 2HG ARG 57 HG1 ARG 57 2.124 0.435 9.683 449 1HD ARG 57 HD2 ARG 57 1.142 -1.104 11.244 450 2HD ARG 57 HD1 ARG 57 2.686 -1.357 12.058 451 HE ARG 57 HE ARG 57 2.243 1.366 12.303 452 1HH1 ARG 57 HH21 ARG 57 0.446 -1.524 13.077 453 2HH1 ARG 57 HH22 ARG 57 -0.372 -0.780 14.406 454 1HH2 ARG 57 HH11 ARG 57 1.165 2.295 14.031 455 2HH2 ARG 57 HH12 ARG 57 0.029 1.360 14.945 456 H GLN 58 HN GLN 58 4.876 -3.159 7.641 457 HA GLN 58 HA GLN 58 7.523 -3.029 8.794 458 1HB GLN 58 HB2 GLN 58 5.875 -4.992 7.451 459 2HB GLN 58 HB1 GLN 58 7.510 -5.016 6.788 460 1HG GLN 58 HG2 GLN 58 6.927 -5.050 9.758 461 2HG GLN 58 HG1 GLN 58 7.165 -6.514 8.803 462 1HE2 GLN 58 HE22 GLN 58 10.400 -4.710 10.187 463 2HE2 GLN 58 HE21 GLN 58 8.843 -4.583 10.851 464 H PHE 59 HN PHE 59 6.184 -2.449 5.587 465 HA PHE 59 HA PHE 59 8.824 -2.111 4.362 466 1HB PHE 59 HB2 PHE 59 7.144 -2.942 2.901 467 2HB PHE 59 HB1 PHE 59 5.983 -1.721 3.415 468 HD1 PHE 59 HD1 PHE 59 8.985 -2.375 1.373 469 HD2 PHE 59 HD2 PHE 59 6.091 0.566 2.573 470 HE1 PHE 59 HE1 PHE 59 9.746 -0.880 -0.453 471 HE2 PHE 59 HE2 PHE 59 6.854 2.060 0.748 472 HZ PHE 59 HZ PHE 59 8.680 1.338 -0.766 473 OH TYR 60 OH TYR 60 7.306 6.601 10.190 474 H TYR 60 HN TYR 60 6.779 -0.113 6.254 475 HA TYR 60 HA TYR 60 7.670 2.372 4.947 476 1HB TYR 60 HB2 TYR 60 5.555 2.810 5.695 477 2HB TYR 60 HB1 TYR 60 5.660 1.626 6.997 478 HD1 TYR 60 HD1 TYR 60 7.227 4.883 5.968 479 HD2 TYR 60 HD2 TYR 60 5.797 2.418 9.183 480 HE1 TYR 60 HE1 TYR 60 7.716 6.703 7.579 481 HE2 TYR 60 HE2 TYR 60 6.288 4.238 10.796 482 HH TYR 60 HH TYR 60 7.416 7.416 9.695 483 H SER 61 HN SER 61 8.065 0.813 8.147 484 HA SER 61 HA SER 61 10.105 2.834 8.836 485 1HB SER 61 HB2 SER 61 9.629 0.526 10.634 486 2HB SER 61 HB1 SER 61 9.761 2.241 11.014 487 HG SER 61 HG SER 61 7.621 1.419 11.259 488 H HIS 62 HN HIS 62 9.950 -0.527 7.822 489 HA HIS 62 HA HIS 62 12.780 -0.951 8.538 490 1HB HIS 62 HB2 HIS 62 10.807 -2.677 8.663 491 2HB HIS 62 HB1 HIS 62 11.168 -2.916 6.952 492 HD1 HIS 62 HD1 HIS 62 14.336 -2.162 7.719 493 HD2 HIS 62 HD2 HIS 62 11.988 -5.331 9.071 494 HE1 HIS 62 HE1 HIS 62 15.939 -3.964 8.491 495 H HIS 63 HN HIS 63 10.962 -1.491 5.483 496 HA HIS 63 HA HIS 63 13.244 -1.687 3.845 497 1HB HIS 63 HB2 HIS 63 10.435 -0.764 3.220 498 2HB HIS 63 HB1 HIS 63 11.668 -0.981 1.977 499 HD1 HIS 63 HD1 HIS 63 11.367 -3.204 0.890 500 HD2 HIS 63 HD2 HIS 63 10.588 -3.390 4.981 501 HE1 HIS 63 HE1 HIS 63 10.838 -5.626 1.409 502 H GLU 64 HN GLU 64 11.718 1.193 5.130 503 HA GLU 64 HA GLU 64 12.859 3.057 3.262 504 1HB GLU 64 HB2 GLU 64 11.317 4.215 4.467 505 2HB GLU 64 HB1 GLU 64 11.515 3.178 5.880 506 1HG GLU 64 HG2 GLU 64 13.490 4.356 6.579 507 2HG GLU 64 HG1 GLU 64 13.568 5.243 5.056 508 H LYS 65 HN LYS 65 14.021 1.712 6.344 509 HA LYS 65 HA LYS 65 16.559 3.217 6.028 510 1HB LYS 65 HB2 LYS 65 15.143 2.760 8.257 511 2HB LYS 65 HB1 LYS 65 16.144 1.308 8.280 512 1HG LYS 65 HG2 LYS 65 17.636 2.678 9.339 513 2HG LYS 65 HG1 LYS 65 18.026 3.177 7.693 514 1HD LYS 65 HD2 LYS 65 15.917 4.800 8.161 515 2HD LYS 65 HD1 LYS 65 16.530 4.634 9.807 516 1HE LYS 65 HE2 LYS 65 18.754 5.019 8.036 517 2HE LYS 65 HE1 LYS 65 17.558 6.278 7.724 518 1HZ LYS 65 HZ1 LYS 65 17.481 6.655 10.160 519 2HZ LYS 65 HZ3 LYS 65 18.780 5.579 10.336 520 3HZ LYS 65 HZ2 LYS 65 18.985 7.019 9.459 521 H ASP 66 HN ASP 66 15.740 0.883 4.281 522 HA ASP 66 HA ASP 66 17.677 -1.198 5.078 523 1HB ASP 66 HB2 ASP 66 15.294 -1.299 3.696 524 2HB ASP 66 HB1 ASP 66 16.481 -1.379 2.393 525 H THR 67 HN THR 67 19.777 -0.778 4.621 526 HA THR 67 HA THR 67 20.765 1.213 2.907 527 HB THR 67 HB THR 67 22.267 0.202 4.469 528 HG1 THR 67 HG1 THR 67 23.757 -0.876 2.749 529 1HG2 THR 67 HG23 THR 67 21.447 -2.350 3.095 530 2HG2 THR 67 HG22 THR 67 22.939 -2.258 4.030 531 3HG2 THR 67 HG21 THR 67 21.389 -1.958 4.813 532 NH1 ARG 68 NH2 ARG 68 21.090 -6.067 2.935 533 NH2 ARG 68 NH1 ARG 68 20.073 -8.075 2.780 534 H ARG 68 HN ARG 68 19.576 -1.983 2.119 535 HA ARG 68 HA ARG 68 20.814 -2.338 -0.412 536 1HB ARG 68 HB2 ARG 68 18.014 -3.168 0.406 537 2HB ARG 68 HB1 ARG 68 18.966 -3.859 -0.909 538 1HG ARG 68 HG2 ARG 68 20.363 -3.818 1.681 539 2HG ARG 68 HG1 ARG 68 18.921 -4.832 1.664 540 1HD ARG 68 HD2 ARG 68 20.059 -5.506 -0.721 541 2HD ARG 68 HD1 ARG 68 21.495 -5.184 0.245 542 HE ARG 68 HE ARG 68 19.852 -7.510 0.411 543 1HH1 ARG 68 HH21 ARG 68 21.438 -5.234 2.514 544 2HH1 ARG 68 HH22 ARG 68 21.232 -6.224 3.912 545 1HH2 ARG 68 HH11 ARG 68 19.631 -8.785 2.233 546 2HH2 ARG 68 HH12 ARG 68 20.234 -8.223 3.757 547 H CYS 69 HN CYS 69 17.473 -1.130 0.164 548 HA CYS 69 HA CYS 69 17.252 -0.110 -2.526 549 1HB CYS 69 HB2 CYS 69 15.382 -0.693 -0.764 550 2HB CYS 69 HB1 CYS 69 15.593 0.992 -0.282 551 H LEU 70 HN LEU 70 18.880 1.116 0.236 552 HA LEU 70 HA LEU 70 18.548 3.936 -0.473 553 1HB LEU 70 HB2 LEU 70 20.351 2.492 1.481 554 2HB LEU 70 HB1 LEU 70 20.396 4.238 1.248 555 HG LEU 70 HG LEU 70 17.933 2.654 2.039 556 1HD1 LEU 70 HD11 LEU 70 19.784 4.442 3.647 557 2HD1 LEU 70 HD13 LEU 70 18.234 3.831 4.225 558 3HD1 LEU 70 HD12 LEU 70 19.547 2.708 3.869 559 1HD2 LEU 70 HD22 LEU 70 18.500 5.561 1.486 560 2HD2 LEU 70 HD21 LEU 70 17.158 4.571 0.916 561 3HD2 LEU 70 HD23 LEU 70 17.210 5.102 2.596 562 H GLY 71 HN GLY 71 21.653 2.250 -0.024 563 1HA GLY 71 HA2 GLY 71 23.252 1.867 -1.835 564 2HA GLY 71 HA1 GLY 71 22.447 3.138 -2.755 565 H ALA 72 HN ALA 72 24.701 4.016 -2.944 566 HA ALA 72 HA ALA 72 25.333 5.688 -0.548 567 1HB ALA 72 HB2 ALA 72 27.076 3.855 -2.094 568 2HB ALA 72 HB1 ALA 72 27.771 5.432 -1.722 569 3HB ALA 72 HB3 ALA 72 27.208 4.387 -0.417 570 H THR 73 HN THR 73 23.750 6.311 -2.938 571 HA THR 73 HA THR 73 25.489 8.464 -4.074 572 HB THR 73 HB THR 73 23.160 7.221 -5.540 573 HG1 THR 73 HG1 THR 73 25.891 6.514 -5.785 574 1HG2 THR 73 HG23 THR 73 24.524 9.485 -6.053 575 2HG2 THR 73 HG22 THR 73 25.577 8.328 -6.869 576 3HG2 THR 73 HG21 THR 73 23.880 8.455 -7.332 577 H ALA 74 HN ALA 74 24.667 10.513 -3.851 578 HA ALA 74 HA ALA 74 22.348 10.966 -2.221 579 1HB ALA 74 HB1 ALA 74 24.435 12.547 -3.423 580 2HB ALA 74 HB3 ALA 74 22.874 13.316 -3.710 581 3HB ALA 74 HB2 ALA 74 23.387 12.953 -2.063 582 H GLN 75 HN GLN 75 22.757 10.593 -5.669 583 HA GLN 75 HA GLN 75 20.415 11.963 -6.548 584 1HB GLN 75 HB2 GLN 75 22.122 9.758 -7.643 585 2HB GLN 75 HB1 GLN 75 20.566 10.083 -8.411 586 1HG GLN 75 HG2 GLN 75 21.213 12.161 -9.163 587 2HG GLN 75 HG1 GLN 75 22.305 12.429 -7.805 588 1HE2 GLN 75 HE22 GLN 75 23.670 10.448 -11.127 589 2HE2 GLN 75 HE21 GLN 75 22.002 10.660 -10.900 590 H GLN 76 HN GLN 76 20.820 8.428 -6.102 591 HA GLN 76 HA GLN 76 17.981 7.927 -6.183 592 1HB GLN 76 HB2 GLN 76 18.544 5.663 -5.624 593 2HB GLN 76 HB1 GLN 76 19.837 6.256 -6.669 594 1HG GLN 76 HG2 GLN 76 21.064 6.911 -4.509 595 2HG GLN 76 HG1 GLN 76 19.878 5.911 -3.667 596 1HE2 GLN 76 HE22 GLN 76 21.132 2.834 -5.073 597 2HE2 GLN 76 HE21 GLN 76 19.705 3.572 -4.526 598 H PHE 77 HN PHE 77 20.150 8.899 -3.634 599 HA PHE 77 HA PHE 77 18.678 7.898 -1.399 600 1HB PHE 77 HB2 PHE 77 20.989 9.433 -1.775 601 2HB PHE 77 HB1 PHE 77 19.893 10.488 -0.883 602 HD1 PHE 77 HD2 PHE 77 18.392 8.895 0.885 603 HD2 PHE 77 HD1 PHE 77 22.459 8.307 -0.364 604 HE1 PHE 77 HE2 PHE 77 18.843 7.613 2.960 605 HE2 PHE 77 HE1 PHE 77 22.911 7.025 1.711 606 HZ PHE 77 HZ PHE 77 21.102 6.678 3.373 607 H HIS 78 HN HIS 78 18.731 11.273 -2.610 608 HA HIS 78 HA HIS 78 16.443 12.092 -1.126 609 1HB HIS 78 HB2 HIS 78 18.212 13.514 -2.400 610 2HB HIS 78 HB1 HIS 78 17.162 13.282 -3.798 611 HD1 HIS 78 HD1 HIS 78 14.626 14.122 -3.497 612 HD2 HIS 78 HD2 HIS 78 17.312 15.440 -0.594 613 HE1 HIS 78 HE1 HIS 78 13.504 16.057 -2.308 614 NH1 ARG 79 NH2 ARG 79 15.956 12.906 -9.293 615 NH2 ARG 79 NH1 ARG 79 17.406 11.969 -10.746 616 H ARG 79 HN ARG 79 16.743 10.822 -4.432 617 HA ARG 79 HA ARG 79 14.036 11.183 -5.218 618 1HB ARG 79 HB2 ARG 79 16.241 9.329 -6.045 619 2HB ARG 79 HB1 ARG 79 14.608 9.019 -6.633 620 1HG ARG 79 HG2 ARG 79 14.923 11.764 -6.980 621 2HG ARG 79 HG1 ARG 79 16.495 11.102 -7.425 622 1HD ARG 79 HD2 ARG 79 14.693 9.345 -8.597 623 2HD ARG 79 HD1 ARG 79 13.934 10.918 -8.831 624 HE ARG 79 HE ARG 79 16.160 9.915 -10.294 625 1HH1 ARG 79 HH21 ARG 79 15.162 12.844 -8.692 626 2HH1 ARG 79 HH22 ARG 79 16.401 13.790 -9.433 627 1HH2 ARG 79 HH11 ARG 79 17.734 11.173 -11.256 628 2HH2 ARG 79 HH12 ARG 79 17.837 12.862 -10.881 629 H HIS 80 HN HIS 80 15.500 8.818 -3.091 630 HA HIS 80 HA HIS 80 13.080 7.125 -3.137 631 1HB HIS 80 HB2 HIS 80 15.040 5.830 -2.957 632 2HB HIS 80 HB1 HIS 80 15.765 6.928 -1.783 633 HD1 HIS 80 HD1 HIS 80 13.225 4.172 -2.085 634 HD2 HIS 80 HD2 HIS 80 14.889 6.563 0.896 635 HE1 HIS 80 HE1 HIS 80 12.503 3.168 0.127 636 H LYS 81 HN LYS 81 14.475 9.679 -1.212 637 HA LYS 81 HA LYS 81 13.091 9.127 1.241 638 1HB LYS 81 HB2 LYS 81 15.028 10.724 0.958 639 2HB LYS 81 HB1 LYS 81 13.907 11.846 0.186 640 1HG LYS 81 HG2 LYS 81 12.459 11.640 2.272 641 2HG LYS 81 HG1 LYS 81 13.819 10.808 3.026 642 1HD LYS 81 HD2 LYS 81 14.370 13.404 1.659 643 2HD LYS 81 HD1 LYS 81 13.538 13.456 3.215 644 1HE LYS 81 HE2 LYS 81 15.394 11.857 4.042 645 2HE LYS 81 HE1 LYS 81 16.267 12.334 2.585 646 1HZ LYS 81 HZ1 LYS 81 15.158 14.282 4.524 647 2HZ LYS 81 HZ3 LYS 81 16.746 13.692 4.610 648 3HZ LYS 81 HZ2 LYS 81 16.246 14.585 3.255 649 H GLN 82 HN GLN 82 12.185 10.798 -1.720 650 HA GLN 82 HA GLN 82 9.784 12.004 -0.662 651 1HB GLN 82 HB2 GLN 82 11.123 12.466 -2.893 652 2HB GLN 82 HB1 GLN 82 10.041 11.239 -3.551 653 1HG GLN 82 HG2 GLN 82 8.106 12.553 -2.621 654 2HG GLN 82 HG1 GLN 82 9.246 13.827 -2.188 655 1HE2 GLN 82 HE22 GLN 82 8.315 13.214 -6.137 656 2HE2 GLN 82 HE21 GLN 82 7.942 12.019 -4.990 657 H LEU 83 HN LEU 83 10.387 9.010 -2.523 658 HA LEU 83 HA LEU 83 7.700 8.145 -2.729 659 1HB LEU 83 HB2 LEU 83 9.363 6.947 -3.959 660 2HB LEU 83 HB1 LEU 83 10.291 6.598 -2.502 661 HG LEU 83 HG LEU 83 7.506 5.652 -2.378 662 1HD1 LEU 83 HD12 LEU 83 9.036 5.166 -4.776 663 2HD1 LEU 83 HD11 LEU 83 8.810 3.655 -3.896 664 3HD1 LEU 83 HD13 LEU 83 7.410 4.616 -4.373 665 1HD2 LEU 83 HD23 LEU 83 9.959 5.121 -1.156 666 2HD2 LEU 83 HD22 LEU 83 8.477 4.186 -0.954 667 3HD2 LEU 83 HD21 LEU 83 9.670 3.700 -2.159 668 H ILE 84 HN ILE 84 10.076 7.513 -0.135 669 HA ILE 84 HA ILE 84 8.462 5.858 1.488 670 HB ILE 84 HB ILE 84 10.507 7.941 2.316 671 1HG1 ILE 84 HG12 ILE 84 11.418 6.215 0.832 672 2HG1 ILE 84 HG11 ILE 84 12.004 5.959 2.474 673 1HG2 ILE 84 HG23 ILE 84 9.234 5.659 3.851 674 2HG2 ILE 84 HG22 ILE 84 10.660 6.543 4.394 675 3HG2 ILE 84 HG21 ILE 84 9.118 7.380 4.221 676 1HD1 ILE 84 HD12 ILE 84 9.957 4.379 2.730 677 2HD1 ILE 84 HD11 ILE 84 9.899 4.413 0.968 678 3HD1 ILE 84 HD13 ILE 84 11.335 3.804 1.791 679 NH1 ARG 85 NH2 ARG 85 9.321 15.858 3.957 680 NH2 ARG 85 NH1 ARG 85 9.719 15.056 6.030 681 H ARG 85 HN ARG 85 8.634 9.426 1.390 682 HA ARG 85 HA ARG 85 6.861 9.926 3.553 683 1HB ARG 85 HB2 ARG 85 7.355 11.508 1.014 684 2HB ARG 85 HB1 ARG 85 6.424 12.114 2.384 685 1HG ARG 85 HG2 ARG 85 8.597 11.344 3.729 686 2HG ARG 85 HG1 ARG 85 9.361 11.612 2.162 687 1HD ARG 85 HD2 ARG 85 9.172 13.860 2.337 688 2HD ARG 85 HD1 ARG 85 7.505 13.757 2.907 689 HE ARG 85 HE ARG 85 8.988 12.916 5.082 690 1HH1 ARG 85 HH21 ARG 85 9.032 15.726 3.011 691 2HH1 ARG 85 HH22 ARG 85 9.604 16.767 4.266 692 1HH2 ARG 85 HH11 ARG 85 9.736 14.296 6.680 693 2HH2 ARG 85 HH12 ARG 85 10.000 15.969 6.322 694 H PHE 86 HN PHE 86 6.187 9.459 0.092 695 HA PHE 86 HA PHE 86 3.387 9.890 0.178 696 1HB PHE 86 HB2 PHE 86 5.295 8.925 -1.700 697 2HB PHE 86 HB1 PHE 86 3.996 7.735 -1.628 698 HD1 PHE 86 HD2 PHE 86 1.565 8.666 -1.697 699 HD2 PHE 86 HD1 PHE 86 5.014 10.879 -2.970 700 HE1 PHE 86 HE2 PHE 86 0.106 10.160 -3.037 701 HE2 PHE 86 HE1 PHE 86 3.560 12.374 -4.312 702 HZ PHE 86 HZ PHE 86 1.107 12.015 -4.346 703 H LEU 87 HN LEU 87 5.322 7.037 0.948 704 HA LEU 87 HA LEU 87 3.086 5.245 1.253 705 1HB LEU 87 HB2 LEU 87 5.586 4.670 0.936 706 2HB LEU 87 HB1 LEU 87 5.760 4.998 2.655 707 HG LEU 87 HG LEU 87 5.412 2.565 2.067 708 1HD1 LEU 87 HD12 LEU 87 4.522 4.008 4.213 709 2HD1 LEU 87 HD11 LEU 87 3.038 3.211 3.690 710 3HD1 LEU 87 HD13 LEU 87 4.460 2.250 4.099 711 1HD2 LEU 87 HD21 LEU 87 3.494 3.452 0.369 712 2HD2 LEU 87 HD23 LEU 87 3.526 1.812 1.021 713 3HD2 LEU 87 HD22 LEU 87 2.499 3.037 1.765 714 H LYS 88 HN LYS 88 4.729 7.504 3.399 715 HA LYS 88 HA LYS 88 3.652 6.524 5.861 716 1HB LYS 88 HB2 LYS 88 4.982 8.988 4.923 717 2HB LYS 88 HB1 LYS 88 3.905 9.211 6.302 718 1HG LYS 88 HG2 LYS 88 5.111 7.060 7.223 719 2HG LYS 88 HG1 LYS 88 6.379 7.524 6.088 720 1HD LYS 88 HD2 LYS 88 6.980 8.631 8.089 721 2HD LYS 88 HD1 LYS 88 6.178 9.882 7.138 722 1HE LYS 88 HE2 LYS 88 4.013 9.014 8.360 723 2HE LYS 88 HE1 LYS 88 5.166 8.392 9.539 724 1HZ LYS 88 HZ3 LYS 88 5.277 11.190 8.594 725 2HZ LYS 88 HZ2 LYS 88 4.278 10.731 9.889 726 3HZ LYS 88 HZ1 LYS 88 5.960 10.519 9.995 727 NH1 ARG 89 NH2 ARG 89 -2.298 13.423 2.132 728 NH2 ARG 89 NH1 ARG 89 -2.981 12.592 0.148 729 H ARG 89 HN ARG 89 2.421 8.866 3.488 730 HA ARG 89 HA ARG 89 0.129 9.655 5.035 731 1HB ARG 89 HB2 ARG 89 1.234 10.504 2.687 732 2HB ARG 89 HB1 ARG 89 -0.168 9.614 2.092 733 1HG ARG 89 HG2 ARG 89 -0.436 11.593 4.352 734 2HG ARG 89 HG1 ARG 89 -0.482 12.120 2.671 735 1HD ARG 89 HD2 ARG 89 -2.185 9.793 3.371 736 2HD ARG 89 HD1 ARG 89 -2.693 11.343 4.029 737 HE ARG 89 HE ARG 89 -3.000 10.452 1.320 738 1HH1 ARG 89 HH21 ARG 89 -2.070 13.299 3.097 739 2HH1 ARG 89 HH22 ARG 89 -2.278 14.339 1.733 740 1HH2 ARG 89 HH11 ARG 89 -3.277 11.820 -0.416 741 2HH2 ARG 89 HH12 ARG 89 -2.960 13.514 -0.239 742 H LEU 90 HN LEU 90 0.501 7.283 2.399 743 HA LEU 90 HA LEU 90 -2.216 6.328 2.593 744 1HB LEU 90 HB2 LEU 90 -0.665 6.104 0.595 745 2HB LEU 90 HB1 LEU 90 0.153 4.816 1.478 746 HG LEU 90 HG LEU 90 -2.684 4.372 1.594 747 1HD1 LEU 90 HD12 LEU 90 -1.522 5.090 -1.086 748 2HD1 LEU 90 HD11 LEU 90 -2.776 3.856 -0.978 749 3HD1 LEU 90 HD13 LEU 90 -3.102 5.496 -0.418 750 1HD2 LEU 90 HD23 LEU 90 -0.547 2.828 1.668 751 2HD2 LEU 90 HD22 LEU 90 -2.049 2.208 0.982 752 3HD2 LEU 90 HD21 LEU 90 -0.764 2.779 -0.082 753 H ASP 91 HN ASP 91 0.450 5.835 4.661 754 HA ASP 91 HA ASP 91 0.028 3.084 5.361 755 1HB ASP 91 HB2 ASP 91 2.076 3.916 6.100 756 2HB ASP 91 HB1 ASP 91 1.370 5.427 6.674 757 NH1 ARG 92 NH2 ARG 92 -3.621 7.046 13.089 758 NH2 ARG 92 NH1 ARG 92 -5.798 6.851 13.653 759 H ARG 92 HN ARG 92 -0.965 6.061 7.108 760 HA ARG 92 HA ARG 92 -2.808 4.462 8.752 761 1HB ARG 92 HB2 ARG 92 -1.567 6.241 9.847 762 2HB ARG 92 HB1 ARG 92 -2.192 7.428 8.703 763 1HG ARG 92 HG2 ARG 92 -3.440 7.500 10.833 764 2HG ARG 92 HG1 ARG 92 -4.482 7.013 9.503 765 1HD ARG 92 HD2 ARG 92 -4.396 4.720 10.139 766 2HD ARG 92 HD1 ARG 92 -3.060 4.991 11.254 767 HE ARG 92 HE ARG 92 -5.875 5.228 11.831 768 1HH1 ARG 92 HH21 ARG 92 -2.839 6.773 12.531 769 2HH1 ARG 92 HH22 ARG 92 -3.497 7.710 13.826 770 1HH2 ARG 92 HH11 ARG 92 -6.695 6.430 13.520 771 2HH2 ARG 92 HH12 ARG 92 -5.661 7.512 14.391 772 H ASN 93 HN ASN 93 -2.991 6.472 5.903 773 HA ASN 93 HA ASN 93 -5.834 7.048 6.175 774 1HB ASN 93 HB2 ASN 93 -3.735 7.460 4.098 775 2HB ASN 93 HB1 ASN 93 -5.416 7.453 3.562 776 1HD2 ASN 93 HD22 ASN 93 -4.039 10.536 5.864 777 2HD2 ASN 93 HD21 ASN 93 -3.077 9.159 5.618 778 H LEU 94 HN LEU 94 -3.928 4.552 4.530 779 HA LEU 94 HA LEU 94 -6.013 3.470 2.937 780 1HB LEU 94 HB2 LEU 94 -3.535 2.885 2.865 781 2HB LEU 94 HB1 LEU 94 -3.837 1.833 4.249 782 HG LEU 94 HG LEU 94 -5.579 0.646 2.928 783 1HD1 LEU 94 HD12 LEU 94 -4.738 2.692 0.890 784 2HD1 LEU 94 HD11 LEU 94 -5.351 1.125 0.364 785 3HD1 LEU 94 HD13 LEU 94 -6.364 2.184 1.344 786 1HD2 LEU 94 HD21 LEU 94 -2.733 0.618 2.519 787 2HD2 LEU 94 HD23 LEU 94 -3.866 -0.731 2.433 788 3HD2 LEU 94 HD22 LEU 94 -3.534 0.235 0.995 789 CH2 TRP 95 CH2 TRP 95 -7.283 -0.290 12.850 790 H TRP 95 HN TRP 95 -4.848 2.098 6.048 791 HA TRP 95 HA TRP 95 -7.365 0.609 6.305 792 1HB TRP 95 HB2 TRP 95 -6.175 -0.725 7.641 793 2HB TRP 95 HB1 TRP 95 -4.765 0.238 7.205 794 HD1 TRP 95 HD1 TRP 95 -4.223 2.344 8.829 795 HE1 TRP 95 HE1 TRP 95 -4.540 2.585 11.378 796 HE3 TRP 95 HE3 TRP 95 -7.579 -1.404 9.640 797 HZ2 TRP 95 HZ2 TRP 95 -6.026 1.339 13.482 798 HZ3 TRP 95 HZ3 TRP 95 -8.429 -1.860 11.923 799 HH2 TRP 95 HH2 TRP 95 -7.653 -0.493 13.842 800 H GLY 96 HN GLY 96 -6.258 3.688 7.268 801 1HA GLY 96 HA2 GLY 96 -7.550 4.048 9.760 802 2HA GLY 96 HA1 GLY 96 -7.305 5.339 8.579 803 H LEU 97 HN LEU 97 -8.839 3.844 6.503 804 HA LEU 97 HA LEU 97 -11.486 4.856 7.184 805 1HB LEU 97 HB2 LEU 97 -10.191 3.580 4.811 806 2HB LEU 97 HB1 LEU 97 -11.950 3.505 4.922 807 HG LEU 97 HG LEU 97 -10.982 5.540 3.706 808 1HD1 LEU 97 HD12 LEU 97 -12.945 5.562 5.962 809 2HD1 LEU 97 HD11 LEU 97 -12.500 7.106 5.235 810 3HD1 LEU 97 HD13 LEU 97 -13.214 5.836 4.241 811 1HD2 LEU 97 HD22 LEU 97 -9.152 5.846 5.437 812 2HD2 LEU 97 HD21 LEU 97 -10.057 7.310 5.055 813 3HD2 LEU 97 HD23 LEU 97 -10.397 6.428 6.544 814 H ALA 98 HN ALA 98 -9.913 1.718 7.032 815 HA ALA 98 HA ALA 98 -12.051 -0.064 7.070 816 1HB ALA 98 HB2 ALA 98 -9.650 -0.721 7.088 817 2HB ALA 98 HB1 ALA 98 -9.552 -0.242 8.782 818 3HB ALA 98 HB3 ALA 98 -10.582 -1.593 8.304 819 H GLY 99 HN GLY 99 -10.582 1.513 9.917 820 1HA GLY 99 HA2 GLY 99 -11.566 2.095 11.975 821 2HA GLY 99 HA1 GLY 99 -13.139 1.814 11.227 822 H LEU 100 HN LEU 100 -10.665 -0.669 11.263 823 HA LEU 100 HA LEU 100 -12.375 -2.215 13.169 824 1HB LEU 100 HB2 LEU 100 -11.707 -2.906 10.614 825 2HB LEU 100 HB1 LEU 100 -10.393 -3.665 11.514 826 HG LEU 100 HG LEU 100 -12.404 -4.440 13.084 827 1HD1 LEU 100 HD11 LEU 100 -13.937 -3.108 11.404 828 2HD1 LEU 100 HD13 LEU 100 -13.776 -4.560 10.416 829 3HD1 LEU 100 HD12 LEU 100 -14.473 -4.666 12.032 830 1HD2 LEU 100 HD23 LEU 100 -10.810 -5.602 11.085 831 2HD2 LEU 100 HD22 LEU 100 -11.757 -6.457 12.303 832 3HD2 LEU 100 HD21 LEU 100 -12.454 -6.126 10.717 833 H ASN 101 HN ASN 101 -10.302 -4.254 13.545 834 HA ASN 101 HA ASN 101 -8.482 -2.667 15.299 835 1HB ASN 101 HB2 ASN 101 -8.654 -5.611 15.624 836 2HB ASN 101 HB1 ASN 101 -8.633 -4.343 16.850 837 1HD2 ASN 101 HD22 ASN 101 -12.122 -5.988 16.080 838 2HD2 ASN 101 HD21 ASN 101 -10.605 -6.724 15.885 839 H SER 102 HN SER 102 -6.591 -4.811 15.669 840 HA SER 102 HA SER 102 -4.759 -4.310 13.587 841 1HB SER 102 HB2 SER 102 -4.305 -5.378 15.868 842 2HB SER 102 HB1 SER 102 -4.845 -6.896 15.155 843 HG SER 102 HG SER 102 -2.473 -5.677 14.939 844 H CYS 103 HN CYS 103 -3.831 -6.303 12.226 845 HA CYS 103 HA CYS 103 -6.019 -7.973 11.134 846 1HB CYS 103 HB2 CYS 103 -4.767 -7.053 8.831 847 2HB CYS 103 HB1 CYS 103 -6.349 -6.538 9.416 848 HA PRO 104 HA PRO 104 -1.904 -10.036 11.675 849 1HB PRO 104 HB2 PRO 104 -3.455 -12.423 12.164 850 2HB PRO 104 HB1 PRO 104 -2.422 -11.538 13.293 851 1HG PRO 104 HG2 PRO 104 -5.298 -11.622 13.254 852 2HG PRO 104 HG1 PRO 104 -4.259 -10.713 14.358 853 1HD PRO 104 HD2 PRO 104 -5.897 -9.676 12.228 854 2HD PRO 104 HD1 PRO 104 -4.832 -8.768 13.322 855 H VAL 105 HN VAL 105 -1.558 -9.872 9.384 856 HA VAL 105 HA VAL 105 -3.033 -11.148 7.346 857 HB VAL 105 HB VAL 105 -1.264 -9.599 6.762 858 1HG1 VAL 105 HG12 VAL 105 0.216 -11.194 8.682 859 2HG1 VAL 105 HG11 VAL 105 1.117 -11.037 7.174 860 3HG1 VAL 105 HG13 VAL 105 0.591 -9.594 8.041 861 1HG2 VAL 105 HG21 VAL 105 -1.750 -11.579 5.236 862 2HG2 VAL 105 HG23 VAL 105 -0.166 -10.835 5.022 863 3HG2 VAL 105 HG22 VAL 105 -0.313 -12.348 5.912 864 H LYS 106 HN LYS 106 -3.184 -13.273 6.669 865 HA LYS 106 HA LYS 106 -1.351 -15.237 7.978 866 1HB LYS 106 HB2 LYS 106 -4.329 -15.179 7.831 867 2HB LYS 106 HB1 LYS 106 -3.543 -16.749 7.664 868 1HG LYS 106 HG2 LYS 106 -2.230 -15.423 9.793 869 2HG LYS 106 HG1 LYS 106 -3.960 -15.194 10.052 870 1HD LYS 106 HD2 LYS 106 -3.888 -17.824 9.311 871 2HD LYS 106 HD1 LYS 106 -2.353 -17.668 10.166 872 1HE LYS 106 HE2 LYS 106 -4.877 -16.552 11.364 873 2HE LYS 106 HE1 LYS 106 -4.488 -18.262 11.540 874 1HZ LYS 106 HZ3 LYS 106 -2.183 -16.773 12.079 875 2HZ LYS 106 HZ2 LYS 106 -3.457 -16.097 12.977 876 3HZ LYS 106 HZ1 LYS 106 -3.077 -17.744 13.143 877 H GLU 107 HN GLU 107 -3.969 -15.864 5.653 878 HA GLU 107 HA GLU 107 -2.393 -17.531 4.000 879 1HB GLU 107 HB2 GLU 107 -4.887 -17.405 3.934 880 2HB GLU 107 HB1 GLU 107 -4.758 -15.831 3.147 881 1HG GLU 107 HG2 GLU 107 -3.446 -16.894 1.313 882 2HG GLU 107 HG1 GLU 107 -3.702 -18.464 2.074 883 H ALA 108 HN ALA 108 -0.407 -16.644 3.391 884 HA ALA 108 HA ALA 108 -0.502 -14.664 1.242 885 1HB ALA 108 HB1 ALA 108 -0.512 -13.220 3.249 886 2HB ALA 108 HB3 ALA 108 0.952 -14.019 3.823 887 3HB ALA 108 HB2 ALA 108 0.995 -13.054 2.348 888 H ASP 109 HN ASP 109 1.165 -15.034 -0.157 889 HA ASP 109 HA ASP 109 3.309 -16.904 0.761 890 1HB ASP 109 HB2 ASP 109 2.439 -16.346 -2.088 891 2HB ASP 109 HB1 ASP 109 3.494 -17.644 -1.529 892 H GLN 110 HN GLN 110 5.412 -16.536 -0.600 893 HA GLN 110 HA GLN 110 6.159 -13.732 -0.216 894 1HB GLN 110 HB2 GLN 110 7.527 -16.218 -0.295 895 2HB GLN 110 HB1 GLN 110 8.166 -15.250 -1.623 896 1HG GLN 110 HG2 GLN 110 9.457 -14.230 -0.073 897 2HG GLN 110 HG1 GLN 110 7.984 -13.424 0.461 898 1HE2 GLN 110 HE22 GLN 110 7.526 -16.199 2.973 899 2HE2 GLN 110 HE21 GLN 110 6.648 -15.710 1.605 900 H SER 111 HN SER 111 5.182 -12.455 -1.775 901 HA SER 111 HA SER 111 5.788 -13.159 -4.625 902 1HB SER 111 HB2 SER 111 3.441 -11.649 -3.443 903 2HB SER 111 HB1 SER 111 3.784 -11.726 -5.170 904 HG SER 111 HG SER 111 3.734 -14.066 -4.884 905 H THR 112 HN THR 112 6.995 -11.662 -5.734 906 HA THR 112 HA THR 112 8.372 -9.578 -4.439 907 HB THR 112 HB THR 112 9.078 -8.831 -6.591 908 HG1 THR 112 HG1 THR 112 7.902 -9.424 -8.454 909 1HG2 THR 112 HG23 THR 112 9.459 -11.334 -5.835 910 2HG2 THR 112 HG22 THR 112 8.450 -11.683 -7.239 911 3HG2 THR 112 HG21 THR 112 9.961 -10.797 -7.438 912 H LEU 113 HN LEU 113 8.009 -7.361 -4.208 913 HA LEU 113 HA LEU 113 5.338 -6.502 -3.844 914 1HB LEU 113 HB2 LEU 113 7.488 -5.467 -2.906 915 2HB LEU 113 HB1 LEU 113 7.618 -4.618 -4.448 916 HG LEU 113 HG LEU 113 4.966 -4.231 -3.741 917 1HD1 LEU 113 HD13 LEU 113 6.741 -4.224 -1.294 918 2HD1 LEU 113 HD12 LEU 113 5.265 -3.263 -1.380 919 3HD1 LEU 113 HD11 LEU 113 5.182 -5.020 -1.507 920 1HD2 LEU 113 HD22 LEU 113 7.489 -2.631 -3.664 921 2HD2 LEU 113 HD21 LEU 113 6.023 -2.372 -4.612 922 3HD2 LEU 113 HD23 LEU 113 6.059 -1.934 -2.903 923 H GLU 114 HN GLU 114 7.187 -6.701 -6.782 924 HA GLU 114 HA GLU 114 5.971 -4.636 -8.293 925 1HB GLU 114 HB2 GLU 114 6.768 -7.404 -9.242 926 2HB GLU 114 HB1 GLU 114 6.517 -5.994 -10.270 927 1HG GLU 114 HG2 GLU 114 8.474 -4.977 -9.594 928 2HG GLU 114 HG1 GLU 114 8.442 -5.736 -8.002 929 H ASN 115 HN ASN 115 4.992 -8.071 -8.127 930 HA ASN 115 HA ASN 115 2.476 -7.612 -9.457 931 1HB ASN 115 HB2 ASN 115 3.456 -9.897 -7.724 932 2HB ASN 115 HB1 ASN 115 1.917 -9.911 -8.588 933 1HD2 ASN 115 HD22 ASN 115 3.558 -11.185 -11.426 934 2HD2 ASN 115 HD21 ASN 115 2.254 -11.299 -10.345 935 H PHE 116 HN PHE 116 3.503 -7.118 -6.181 936 HA PHE 116 HA PHE 116 0.932 -7.461 -4.915 937 1HB PHE 116 HB2 PHE 116 2.957 -7.413 -3.563 938 2HB PHE 116 HB1 PHE 116 3.343 -5.791 -4.137 939 HD1 PHE 116 HD1 PHE 116 0.619 -7.702 -2.406 940 HD2 PHE 116 HD2 PHE 116 2.608 -3.928 -2.922 941 HE1 PHE 116 HE1 PHE 116 -0.750 -6.730 -0.581 942 HE2 PHE 116 HE2 PHE 116 1.237 -2.958 -1.096 943 HZ PHE 116 HZ PHE 116 -0.441 -4.359 0.074 944 H LEU 117 HN LEU 117 2.695 -4.422 -5.566 945 HA LEU 117 HA LEU 117 0.510 -2.681 -5.267 946 1HB LEU 117 HB2 LEU 117 3.183 -2.557 -6.473 947 2HB LEU 117 HB1 LEU 117 2.018 -1.493 -7.261 948 HG LEU 117 HG LEU 117 1.397 -0.991 -4.681 949 1HD1 LEU 117 HD11 LEU 117 3.837 -2.465 -4.559 950 2HD1 LEU 117 HD13 LEU 117 4.199 -0.794 -4.129 951 3HD1 LEU 117 HD12 LEU 117 2.970 -1.688 -3.234 952 1HD2 LEU 117 HD22 LEU 117 3.012 0.254 -6.761 953 2HD2 LEU 117 HD21 LEU 117 1.894 1.003 -5.620 954 3HD2 LEU 117 HD23 LEU 117 3.570 0.717 -5.154 955 H GLU 118 HN GLU 118 1.398 -4.772 -7.943 956 HA GLU 118 HA GLU 118 -0.191 -3.573 -9.986 957 1HB GLU 118 HB2 GLU 118 1.463 -5.409 -10.356 958 2HB GLU 118 HB1 GLU 118 0.362 -6.524 -9.547 959 1HG GLU 118 HG2 GLU 118 -0.917 -6.735 -11.391 960 2HG GLU 118 HG1 GLU 118 -0.987 -4.988 -11.623 961 NH1 ARG 119 NH2 ARG 119 -1.336 -9.225 -10.382 962 NH2 ARG 119 NH1 ARG 119 -0.960 -11.448 -10.250 963 H ARG 119 HN ARG 119 -0.985 -6.252 -7.765 964 HA ARG 119 HA ARG 119 -3.781 -6.330 -8.501 965 1HB ARG 119 HB2 ARG 119 -2.496 -7.305 -5.928 966 2HB ARG 119 HB1 ARG 119 -4.041 -7.826 -6.601 967 1HG ARG 119 HG2 ARG 119 -1.630 -8.092 -8.337 968 2HG ARG 119 HG1 ARG 119 -1.790 -9.218 -6.996 969 1HD ARG 119 HD2 ARG 119 -4.100 -9.753 -7.779 970 2HD ARG 119 HD1 ARG 119 -3.834 -8.733 -9.189 971 HE ARG 119 HE ARG 119 -2.963 -11.453 -8.848 972 1HH1 ARG 119 HH21 ARG 119 -1.893 -8.425 -10.173 973 2HH1 ARG 119 HH22 ARG 119 -0.537 -9.133 -10.976 974 1HH2 ARG 119 HH11 ARG 119 -1.227 -12.355 -9.927 975 2HH2 ARG 119 HH12 ARG 119 -0.169 -11.345 -10.853 976 H LEU 120 HN LEU 120 -1.992 -4.099 -6.602 977 HA LEU 120 HA LEU 120 -4.190 -3.463 -4.778 978 1HB LEU 120 HB2 LEU 120 -1.431 -2.870 -4.899 979 2HB LEU 120 HB1 LEU 120 -2.260 -1.327 -5.085 980 HG LEU 120 HG LEU 120 -3.620 -2.781 -3.043 981 1HD1 LEU 120 HD11 LEU 120 -0.643 -3.017 -3.016 982 2HD1 LEU 120 HD13 LEU 120 -1.463 -2.702 -1.487 983 3HD1 LEU 120 HD12 LEU 120 -1.864 -4.142 -2.421 984 1HD2 LEU 120 HD23 LEU 120 -2.817 -0.204 -3.555 985 2HD2 LEU 120 HD22 LEU 120 -3.497 -0.747 -2.025 986 3HD2 LEU 120 HD21 LEU 120 -1.748 -0.650 -2.227 987 H LYS 121 HN LYS 121 -2.836 -2.184 -7.783 988 HA LYS 121 HA LYS 121 -4.587 0.127 -7.895 989 1HB LYS 121 HB2 LYS 121 -2.336 -0.307 -9.139 990 2HB LYS 121 HB1 LYS 121 -3.332 -1.188 -10.298 991 1HG LYS 121 HG2 LYS 121 -4.814 0.902 -10.381 992 2HG LYS 121 HG1 LYS 121 -3.500 1.735 -9.547 993 1HD LYS 121 HD2 LYS 121 -3.082 2.108 -11.855 994 2HD LYS 121 HD1 LYS 121 -1.969 0.819 -11.397 995 1HE LYS 121 HE2 LYS 121 -4.089 -0.686 -12.095 996 2HE LYS 121 HE1 LYS 121 -4.380 0.707 -13.137 997 1HZ LYS 121 HZ1 LYS 121 -1.870 0.442 -13.659 998 2HZ LYS 121 HZ3 LYS 121 -2.098 -1.145 -13.107 999 3HZ LYS 121 HZ2 LYS 121 -2.999 -0.569 -14.427 1000 H THR 122 HN THR 122 -4.675 -3.173 -9.054 1001 HA THR 122 HA THR 122 -6.989 -2.818 -10.760 1002 HB THR 122 HB THR 122 -6.863 -5.530 -9.953 1003 HG1 THR 122 HG1 THR 122 -4.500 -5.689 -10.583 1004 1HG2 THR 122 HG22 THR 122 -7.126 -4.262 -12.241 1005 2HG2 THR 122 HG21 THR 122 -5.375 -4.457 -12.323 1006 3HG2 THR 122 HG23 THR 122 -6.417 -5.877 -12.211 1007 H ILE 123 HN ILE 123 -6.591 -4.404 -7.603 1008 HA ILE 123 HA ILE 123 -9.378 -4.781 -7.093 1009 HB ILE 123 HB ILE 123 -7.080 -4.443 -5.153 1010 1HG1 ILE 123 HG12 ILE 123 -6.761 -6.272 -6.808 1011 2HG1 ILE 123 HG11 ILE 123 -6.991 -6.900 -5.176 1012 1HG2 ILE 123 HG23 ILE 123 -9.892 -5.522 -4.841 1013 2HG2 ILE 123 HG22 ILE 123 -8.606 -5.855 -3.681 1014 3HG2 ILE 123 HG21 ILE 123 -9.142 -4.197 -3.952 1015 1HD1 ILE 123 HD11 ILE 123 -9.413 -7.244 -5.694 1016 2HD1 ILE 123 HD13 ILE 123 -9.099 -6.728 -7.350 1017 3HD1 ILE 123 HD12 ILE 123 -8.351 -8.198 -6.729 1018 H MET 124 HN MET 124 -7.297 -1.999 -6.729 1019 HA MET 124 HA MET 124 -9.030 -0.623 -4.848 1020 1HB MET 124 HB2 MET 124 -6.630 0.133 -6.462 1021 2HB MET 124 HB1 MET 124 -7.609 1.397 -5.726 1022 1HG MET 124 HG2 MET 124 -6.875 -0.936 -4.021 1023 2HG MET 124 HG1 MET 124 -5.615 0.243 -4.384 1024 1HE MET 124 HE3 MET 124 -5.336 2.156 -3.900 1025 2HE MET 124 HE2 MET 124 -6.478 3.401 -3.415 1026 3HE MET 124 HE1 MET 124 -5.586 2.509 -2.186 1027 NH1 ARG 125 NH2 ARG 125 -10.771 6.146 -9.915 1028 NH2 ARG 125 NH1 ARG 125 -10.872 6.710 -12.100 1029 H ARG 125 HN ARG 125 -8.413 -0.124 -8.341 1030 HA ARG 125 HA ARG 125 -10.368 1.959 -8.562 1031 1HB ARG 125 HB2 ARG 125 -8.466 1.446 -10.175 1032 2HB ARG 125 HB1 ARG 125 -9.483 0.154 -10.816 1033 1HG ARG 125 HG2 ARG 125 -9.791 2.182 -12.153 1034 2HG ARG 125 HG1 ARG 125 -11.273 1.823 -11.268 1035 1HD ARG 125 HD2 ARG 125 -10.951 3.574 -9.752 1036 2HD ARG 125 HD1 ARG 125 -9.215 3.643 -10.049 1037 HE ARG 125 HE ARG 125 -10.338 4.345 -12.485 1038 1HH1 ARG 125 HH21 ARG 125 -10.627 5.471 -9.194 1039 2HH1 ARG 125 HH22 ARG 125 -10.986 7.092 -9.672 1040 1HH2 ARG 125 HH11 ARG 125 -10.807 6.462 -13.066 1041 2HH2 ARG 125 HH12 ARG 125 -11.084 7.652 -11.839 1042 H GLU 126 HN GLU 126 -10.635 -1.554 -9.003 1043 HA GLU 126 HA GLU 126 -13.417 -1.241 -9.939 1044 1HB GLU 126 HB2 GLU 126 -11.621 -2.979 -10.739 1045 2HB GLU 126 HB1 GLU 126 -12.169 -3.895 -9.334 1046 1HG GLU 126 HG2 GLU 126 -14.566 -3.355 -10.267 1047 2HG GLU 126 HG1 GLU 126 -13.707 -3.097 -11.786 1048 H LYS 127 HN LYS 127 -11.759 -2.381 -7.016 1049 HA LYS 127 HA LYS 127 -14.319 -3.293 -5.880 1050 1HB LYS 127 HB2 LYS 127 -11.819 -4.240 -5.579 1051 2HB LYS 127 HB1 LYS 127 -11.901 -3.182 -4.170 1052 1HG LYS 127 HG2 LYS 127 -12.777 -5.177 -3.319 1053 2HG LYS 127 HG1 LYS 127 -14.239 -4.310 -3.795 1054 1HD LYS 127 HD2 LYS 127 -14.768 -6.062 -5.106 1055 2HD LYS 127 HD1 LYS 127 -13.379 -5.655 -6.114 1056 1HE LYS 127 HE2 LYS 127 -11.931 -7.044 -4.661 1057 2HE LYS 127 HE1 LYS 127 -13.337 -7.473 -3.686 1058 1HZ LYS 127 HZ1 LYS 127 -14.360 -8.395 -5.703 1059 2HZ LYS 127 HZ3 LYS 127 -12.939 -8.067 -6.567 1060 3HZ LYS 127 HZ2 LYS 127 -12.915 -9.188 -5.290 1061 OH TYR 128 OH TYR 128 -12.926 5.569 -8.325 1062 H TYR 128 HN TYR 128 -12.422 -0.374 -5.731 1063 HA TYR 128 HA TYR 128 -13.500 0.395 -3.120 1064 1HB TYR 128 HB2 TYR 128 -12.144 2.249 -3.231 1065 2HB TYR 128 HB1 TYR 128 -11.283 1.191 -4.339 1066 HD1 TYR 128 HD2 TYR 128 -12.774 1.273 -6.813 1067 HD2 TYR 128 HD1 TYR 128 -12.048 4.437 -3.998 1068 HE1 TYR 128 HE2 TYR 128 -13.095 2.949 -8.614 1069 HE2 TYR 128 HE1 TYR 128 -12.369 6.111 -5.800 1070 HH TYR 128 HH TYR 128 -13.851 5.825 -8.335 1071 H SER 129 HN SER 129 -15.018 0.131 -6.042 1072 HA SER 129 HA SER 129 -16.557 2.640 -5.830 1073 1HB SER 129 HB2 SER 129 -17.250 2.231 -7.980 1074 2HB SER 129 HB1 SER 129 -15.790 1.247 -7.996 1075 HG SER 129 HG SER 129 -18.471 0.504 -7.895 1076 H LYS 130 HN LYS 130 -16.698 0.225 -3.839 1077 HA LYS 130 HA LYS 130 -19.649 -0.188 -4.072 1078 1HB LYS 130 HB2 LYS 130 -17.984 -2.196 -4.072 1079 2HB LYS 130 HB1 LYS 130 -17.853 -1.873 -2.342 1080 1HG LYS 130 HG2 LYS 130 -20.607 -1.777 -2.899 1081 2HG LYS 130 HG1 LYS 130 -20.002 -3.170 -3.797 1082 1HD LYS 130 HD2 LYS 130 -18.784 -3.846 -1.650 1083 2HD LYS 130 HD1 LYS 130 -19.769 -2.632 -0.832 1084 1HE LYS 130 HE2 LYS 130 -21.152 -4.602 -2.607 1085 2HE LYS 130 HE1 LYS 130 -20.592 -5.155 -1.028 1086 1HZ LYS 130 HZ2 LYS 130 -21.824 -2.643 -0.750 1087 2HZ LYS 130 HZ1 LYS 130 -22.871 -3.668 -1.609 1088 3HZ LYS 130 HZ3 LYS 130 -22.294 -4.133 -0.083 1089 H CYS 131 HN CYS 131 -18.209 2.132 -2.822 1090 HA CYS 131 HA CYS 131 -18.814 1.714 0.051 1091 1HB CYS 131 HB2 CYS 131 -16.701 2.880 -0.649 1092 2HB CYS 131 HB1 CYS 131 -17.694 4.179 -1.310 1093 H SER 132 HN SER 132 -19.457 4.410 -2.226 1094 HA SER 132 HA SER 132 -22.325 4.288 -1.660 1095 1HB SER 132 HB2 SER 132 -20.945 6.841 -0.858 1096 2HB SER 132 HB1 SER 132 -22.560 6.280 -0.435 1097 HG SER 132 HG SER 132 -20.305 5.957 0.909 1098 H SER 133 HN SER 133 -21.190 4.022 -4.094 1099 HA SER 133 HA SER 133 -21.107 6.676 -5.403 1100 1HB SER 133 HB2 SER 133 -20.495 3.862 -6.289 1101 2HB SER 133 HB1 SER 133 -20.707 5.151 -7.472 1102 HG SER 133 HG SER 133 -18.706 5.599 -7.028 Start of MODEL 11 Raw file had 1102 H/Q atoms Start of MODEL 11 1 1H GLU 1 HT1 GLU 1 -21.367 19.577 5.278 2 2H GLU 1 HT3 GLU 1 -19.825 20.257 5.092 3 3H GLU 1 HT2 GLU 1 -21.014 21.080 5.985 4 HA GLU 1 HA GLU 1 -22.132 21.797 4.153 5 1HB GLU 1 HB2 GLU 1 -19.344 22.039 4.073 6 2HB GLU 1 HB1 GLU 1 -19.790 21.543 2.440 7 1HG GLU 1 HG2 GLU 1 -19.852 23.987 2.610 8 2HG GLU 1 HG1 GLU 1 -21.484 23.361 2.375 9 H ALA 2 HN ALA 2 -19.978 19.172 3.002 10 HA ALA 2 HA ALA 2 -22.265 18.225 1.325 11 1HB ALA 2 HB1 ALA 2 -19.397 18.706 0.593 12 2HB ALA 2 HB3 ALA 2 -20.265 17.385 -0.193 13 3HB ALA 2 HB2 ALA 2 -20.858 19.040 -0.337 14 H GLU 3 HN GLU 3 -22.833 16.554 2.760 15 HA GLU 3 HA GLU 3 -20.925 14.810 4.018 16 1HB GLU 3 HB2 GLU 3 -23.514 15.228 4.462 17 2HB GLU 3 HB1 GLU 3 -23.686 13.849 3.372 18 1HG GLU 3 HG2 GLU 3 -22.026 12.612 4.822 19 2HG GLU 3 HG1 GLU 3 -22.131 13.947 5.969 20 H ALA 4 HN ALA 4 -20.206 12.746 3.381 21 HA ALA 4 HA ALA 4 -21.003 11.816 0.663 22 1HB ALA 4 HB1 ALA 4 -18.641 13.149 1.068 23 2HB ALA 4 HB3 ALA 4 -18.143 11.473 1.305 24 3HB ALA 4 HB2 ALA 4 -18.906 11.961 -0.208 25 H HIS 5 HN HIS 5 -20.338 9.513 0.306 26 HA HIS 5 HA HIS 5 -21.089 7.844 2.488 27 1HB HIS 5 HB2 HIS 5 -19.524 7.162 -0.021 28 2HB HIS 5 HB1 HIS 5 -20.254 5.978 1.063 29 HD1 HIS 5 HD1 HIS 5 -22.753 5.571 0.858 30 HD2 HIS 5 HD2 HIS 5 -21.472 8.814 -1.428 31 HE1 HIS 5 HE1 HIS 5 -24.722 6.254 -0.583 32 H LYS 6 HN LYS 6 -19.259 5.822 2.780 33 HA LYS 6 HA LYS 6 -17.055 7.241 4.177 34 1HB LYS 6 HB2 LYS 6 -18.277 4.499 4.482 35 2HB LYS 6 HB1 LYS 6 -16.718 4.894 5.207 36 1HG LYS 6 HG2 LYS 6 -18.145 5.468 6.945 37 2HG LYS 6 HG1 LYS 6 -18.032 7.011 6.100 38 1HD LYS 6 HD2 LYS 6 -20.250 6.986 5.744 39 2HD LYS 6 HD1 LYS 6 -20.086 5.479 4.843 40 1HE LYS 6 HE2 LYS 6 -19.860 4.595 7.430 41 2HE LYS 6 HE1 LYS 6 -21.009 5.920 7.606 42 1HZ LYS 6 HZ2 LYS 6 -22.301 4.942 5.778 43 2HZ LYS 6 HZ1 LYS 6 -21.229 3.625 5.736 44 3HZ LYS 6 HZ3 LYS 6 -22.179 3.898 7.114 45 H CYS 7 HN CYS 7 -17.041 6.822 1.299 46 HA CYS 7 HA CYS 7 -14.338 5.841 1.035 47 1HB CYS 7 HB2 CYS 7 -14.910 3.917 -0.496 48 2HB CYS 7 HB1 CYS 7 -15.330 3.648 1.196 49 H ASP 8 HN ASP 8 -16.230 8.089 0.169 50 HA ASP 8 HA ASP 8 -16.089 7.832 -2.771 51 1HB ASP 8 HB2 ASP 8 -17.708 9.325 -0.903 52 2HB ASP 8 HB1 ASP 8 -16.961 10.422 -2.065 53 H ILE 9 HN ILE 9 -15.152 10.328 -0.400 54 HA ILE 9 HA ILE 9 -13.110 11.323 -2.285 55 HB ILE 9 HB ILE 9 -13.849 12.318 0.482 56 1HG1 ILE 9 HG12 ILE 9 -14.816 13.114 -2.282 57 2HG1 ILE 9 HG11 ILE 9 -15.791 12.447 -0.971 58 1HG2 ILE 9 HG22 ILE 9 -11.596 12.973 -0.446 59 2HG2 ILE 9 HG21 ILE 9 -12.440 13.724 -1.802 60 3HG2 ILE 9 HG23 ILE 9 -12.682 14.334 -0.165 61 1HD1 ILE 9 HD13 ILE 9 -14.968 14.495 0.395 62 2HD1 ILE 9 HD12 ILE 9 -14.525 15.175 -1.170 63 3HD1 ILE 9 HD11 ILE 9 -16.206 14.763 -0.831 64 H THR 10 HN THR 10 -13.242 9.797 0.941 65 HA THR 10 HA THR 10 -10.510 10.020 1.612 66 HB THR 10 HB THR 10 -12.183 7.552 2.145 67 HG1 THR 10 HG1 THR 10 -12.374 9.091 4.177 68 1HG2 THR 10 HG23 THR 10 -9.739 7.538 2.736 69 2HG2 THR 10 HG22 THR 10 -10.033 8.922 3.789 70 3HG2 THR 10 HG21 THR 10 -10.801 7.373 4.134 71 H LEU 11 HN LEU 11 -12.116 7.395 -0.220 72 HA LEU 11 HA LEU 11 -9.584 6.103 -0.825 73 1HB LEU 11 HB2 LEU 11 -12.434 5.724 -1.674 74 2HB LEU 11 HB1 LEU 11 -11.151 4.963 -2.615 75 HG LEU 11 HG LEU 11 -10.272 3.907 -0.560 76 1HD1 LEU 11 HD13 LEU 11 -12.397 5.615 0.641 77 2HD1 LEU 11 HD12 LEU 11 -12.159 4.019 1.351 78 3HD1 LEU 11 HD11 LEU 11 -10.819 5.163 1.286 79 1HD2 LEU 11 HD23 LEU 11 -13.097 3.474 -1.469 80 2HD2 LEU 11 HD22 LEU 11 -11.696 2.416 -1.634 81 3HD2 LEU 11 HD21 LEU 11 -12.511 2.563 -0.077 82 H GLN 12 HN GLN 12 -11.336 8.748 -2.219 83 HA GLN 12 HA GLN 12 -10.420 8.515 -4.926 84 1HB GLN 12 HB2 GLN 12 -12.234 10.040 -4.351 85 2HB GLN 12 HB1 GLN 12 -11.169 10.953 -3.282 86 1HG GLN 12 HG2 GLN 12 -10.204 12.077 -5.002 87 2HG GLN 12 HG1 GLN 12 -10.143 10.641 -6.025 88 1HE2 GLN 12 HE22 GLN 12 -12.620 12.495 -7.860 89 2HE2 GLN 12 HE21 GLN 12 -10.953 12.193 -7.768 90 H GLU 13 HN GLU 13 -9.218 10.672 -2.332 91 HA GLU 13 HA GLU 13 -6.805 11.347 -3.727 92 1HB GLU 13 HB2 GLU 13 -7.647 11.506 -0.831 93 2HB GLU 13 HB1 GLU 13 -6.022 11.968 -1.339 94 1HG GLU 13 HG2 GLU 13 -6.929 13.618 -2.889 95 2HG GLU 13 HG1 GLU 13 -8.575 13.107 -2.516 96 H ILE 14 HN ILE 14 -7.604 8.824 -1.363 97 HA ILE 14 HA ILE 14 -4.982 7.816 -0.928 98 HB ILE 14 HB ILE 14 -7.716 6.936 -0.474 99 1HG1 ILE 14 HG12 ILE 14 -5.194 5.949 0.857 100 2HG1 ILE 14 HG11 ILE 14 -5.834 7.566 1.162 101 1HG2 ILE 14 HG22 ILE 14 -5.683 4.835 -1.276 102 2HG2 ILE 14 HG21 ILE 14 -7.181 4.492 -0.415 103 3HG2 ILE 14 HG23 ILE 14 -7.240 5.153 -2.046 104 1HD1 ILE 14 HD12 ILE 14 -8.027 5.777 1.332 105 2HD1 ILE 14 HD11 ILE 14 -6.711 5.057 2.258 106 3HD1 ILE 14 HD13 ILE 14 -7.274 6.683 2.645 107 H ILE 15 HN ILE 15 -7.165 7.494 -3.643 108 HA ILE 15 HA ILE 15 -5.746 5.271 -4.874 109 HB ILE 15 HB ILE 15 -8.009 7.064 -5.544 110 1HG1 ILE 15 HG12 ILE 15 -7.755 4.221 -6.453 111 2HG1 ILE 15 HG11 ILE 15 -7.848 4.511 -4.715 112 1HG2 ILE 15 HG21 ILE 15 -6.180 5.854 -7.619 113 2HG2 ILE 15 HG23 ILE 15 -7.879 6.186 -7.957 114 3HG2 ILE 15 HG22 ILE 15 -6.793 7.507 -7.527 115 1HD1 ILE 15 HD11 ILE 15 -9.822 6.166 -5.628 116 2HD1 ILE 15 HD13 ILE 15 -9.918 4.846 -6.792 117 3HD1 ILE 15 HD12 ILE 15 -10.093 4.516 -5.069 118 H LYS 16 HN LYS 16 -5.801 8.806 -5.267 119 HA LYS 16 HA LYS 16 -4.075 9.009 -7.504 120 1HB LYS 16 HB2 LYS 16 -5.279 10.809 -5.798 121 2HB LYS 16 HB1 LYS 16 -3.572 11.010 -5.403 122 1HG LYS 16 HG2 LYS 16 -3.754 12.482 -7.184 123 2HG LYS 16 HG1 LYS 16 -3.304 11.009 -8.043 124 1HD LYS 16 HD2 LYS 16 -5.202 11.996 -9.183 125 2HD LYS 16 HD1 LYS 16 -5.751 10.530 -8.368 126 1HE LYS 16 HE2 LYS 16 -7.221 11.709 -7.138 127 2HE LYS 16 HE1 LYS 16 -5.938 12.772 -6.563 128 1HZ LYS 16 HZ2 LYS 16 -6.131 13.969 -8.721 129 2HZ LYS 16 HZ1 LYS 16 -7.520 13.048 -9.056 130 3HZ LYS 16 HZ3 LYS 16 -7.501 14.098 -7.725 131 H THR 17 HN THR 17 -3.261 8.927 -4.036 132 HA THR 17 HA THR 17 -0.409 8.925 -4.426 133 HB THR 17 HB THR 17 -1.966 7.757 -2.099 134 HG1 THR 17 HG1 THR 17 -2.515 9.727 -1.712 135 1HG2 THR 17 HG21 THR 17 0.801 7.904 -2.681 136 2HG2 THR 17 HG23 THR 17 0.486 9.115 -1.438 137 3HG2 THR 17 HG22 THR 17 0.048 7.429 -1.158 138 H LEU 18 HN LEU 18 -2.876 6.432 -4.324 139 HA LEU 18 HA LEU 18 -1.249 4.144 -4.019 140 1HB LEU 18 HB2 LEU 18 -3.776 4.225 -3.998 141 2HB LEU 18 HB1 LEU 18 -3.740 4.419 -5.740 142 HG LEU 18 HG LEU 18 -4.076 2.038 -4.624 143 1HD1 LEU 18 HD13 LEU 18 -2.670 2.885 -7.107 144 2HD1 LEU 18 HD12 LEU 18 -2.648 1.173 -6.697 145 3HD1 LEU 18 HD11 LEU 18 -4.184 2.012 -6.907 146 1HD2 LEU 18 HD22 LEU 18 -1.790 2.347 -3.434 147 2HD2 LEU 18 HD21 LEU 18 -2.119 0.801 -4.215 148 3HD2 LEU 18 HD23 LEU 18 -1.088 1.987 -5.011 149 H ASN 19 HN ASN 19 -1.937 6.143 -6.844 150 HA ASN 19 HA ASN 19 -0.483 4.316 -8.642 151 1HB ASN 19 HB2 ASN 19 -2.303 6.575 -8.925 152 2HB ASN 19 HB1 ASN 19 -0.901 6.731 -9.984 153 1HD2 ASN 19 HD22 ASN 19 -2.564 4.587 -12.244 154 2HD2 ASN 19 HD21 ASN 19 -1.872 6.114 -11.978 155 H SER 20 HN SER 20 0.122 7.229 -6.798 156 HA SER 20 HA SER 20 2.417 8.162 -8.227 157 1HB SER 20 HB2 SER 20 1.247 8.578 -5.530 158 2HB SER 20 HB1 SER 20 2.960 8.945 -5.698 159 HG SER 20 HG SER 20 1.123 9.841 -7.629 160 H LEU 21 HN LEU 21 2.056 5.792 -5.604 161 HA LEU 21 HA LEU 21 4.938 5.398 -5.361 162 1HB LEU 21 HB2 LEU 21 2.775 4.837 -3.745 163 2HB LEU 21 HB1 LEU 21 3.209 3.242 -4.361 164 HG LEU 21 HG LEU 21 5.625 3.820 -3.745 165 1HD1 LEU 21 HD12 LEU 21 4.313 6.290 -3.088 166 2HD1 LEU 21 HD11 LEU 21 4.996 5.599 -1.617 167 3HD1 LEU 21 HD13 LEU 21 6.033 5.907 -3.009 168 1HD2 LEU 21 HD21 LEU 21 3.984 2.360 -2.418 169 2HD2 LEU 21 HD23 LEU 21 5.334 3.038 -1.508 170 3HD2 LEU 21 HD22 LEU 21 3.734 3.767 -1.383 171 H THR 22 HN THR 22 2.389 4.059 -7.330 172 HA THR 22 HA THR 22 3.791 1.593 -7.960 173 HB THR 22 HB THR 22 2.089 1.412 -9.783 174 HG1 THR 22 HG1 THR 22 1.597 3.409 -10.376 175 1HG2 THR 22 HG23 THR 22 1.265 2.043 -6.952 176 2HG2 THR 22 HG22 THR 22 0.085 1.528 -8.158 177 3HG2 THR 22 HG21 THR 22 1.424 0.465 -7.724 178 H GLU 23 HN GLU 23 4.505 4.767 -8.806 179 HA GLU 23 HA GLU 23 5.179 4.365 -11.591 180 1HB GLU 23 HB2 GLU 23 5.082 6.546 -9.822 181 2HB GLU 23 HB1 GLU 23 6.779 6.401 -10.281 182 1HG GLU 23 HG2 GLU 23 5.532 6.009 -12.690 183 2HG GLU 23 HG1 GLU 23 4.452 7.171 -11.920 184 H GLN 24 HN GLN 24 6.943 4.115 -8.529 185 HA GLN 24 HA GLN 24 9.223 2.912 -10.057 186 1HB GLN 24 HB2 GLN 24 9.167 4.665 -7.607 187 2HB GLN 24 HB1 GLN 24 10.520 3.568 -7.889 188 1HG GLN 24 HG2 GLN 24 9.833 5.024 -10.309 189 2HG GLN 24 HG1 GLN 24 10.204 6.127 -8.983 190 1HE2 GLN 24 HE22 GLN 24 13.155 3.706 -10.478 191 2HE2 GLN 24 HE21 GLN 24 11.534 3.397 -10.871 192 H LYS 25 HN LYS 25 7.634 0.983 -9.733 193 HA LYS 25 HA LYS 25 8.044 -0.201 -7.022 194 1HB LYS 25 HB2 LYS 25 6.205 -1.808 -7.784 195 2HB LYS 25 HB1 LYS 25 5.707 -0.140 -7.506 196 1HG LYS 25 HG2 LYS 25 5.634 0.341 -9.828 197 2HG LYS 25 HG1 LYS 25 6.552 -1.104 -10.241 198 1HD LYS 25 HD2 LYS 25 4.524 -2.336 -9.061 199 2HD LYS 25 HD1 LYS 25 3.670 -0.847 -9.472 200 1HE LYS 25 HE2 LYS 25 4.234 -1.106 -11.819 201 2HE LYS 25 HE1 LYS 25 5.248 -2.503 -11.459 202 1HZ LYS 25 HZ1 LYS 25 3.089 -3.432 -10.427 203 2HZ LYS 25 HZ3 LYS 25 2.314 -2.273 -11.395 204 3HZ LYS 25 HZ2 LYS 25 3.282 -3.470 -12.115 205 H THR 26 HN THR 26 10.274 -0.763 -7.744 206 HA THR 26 HA THR 26 10.360 -3.484 -8.755 207 HB THR 26 HB THR 26 12.087 -2.550 -10.608 208 HG1 THR 26 HG1 THR 26 11.606 -0.390 -10.166 209 1HG2 THR 26 HG21 THR 26 9.841 -3.975 -10.681 210 2HG2 THR 26 HG23 THR 26 9.195 -2.481 -11.359 211 3HG2 THR 26 HG22 THR 26 10.539 -3.300 -12.153 212 H LEU 27 HN LEU 27 12.209 -0.500 -8.156 213 HA LEU 27 HA LEU 27 14.635 -1.969 -7.475 214 1HB LEU 27 HB2 LEU 27 14.330 0.510 -8.336 215 2HB LEU 27 HB1 LEU 27 14.140 0.866 -6.619 216 HG LEU 27 HG LEU 27 16.351 -0.880 -6.804 217 1HD1 LEU 27 HD13 LEU 27 16.142 1.041 -9.082 218 2HD1 LEU 27 HD12 LEU 27 17.716 0.861 -8.309 219 3HD1 LEU 27 HD11 LEU 27 16.916 -0.542 -9.017 220 1HD2 LEU 27 HD22 LEU 27 15.871 2.021 -6.202 221 2HD2 LEU 27 HD21 LEU 27 16.429 0.737 -5.130 222 3HD2 LEU 27 HD23 LEU 27 17.533 1.439 -6.313 223 H CYS 28 HN CYS 28 12.189 -0.154 -5.613 224 HA CYS 28 HA CYS 28 13.328 -1.202 -3.096 225 1HB CYS 28 HB2 CYS 28 12.045 1.152 -3.704 226 2HB CYS 28 HB1 CYS 28 10.744 0.213 -2.972 227 H THR 29 HN THR 29 10.911 -2.063 -5.394 228 HA THR 29 HA THR 29 9.329 -3.626 -3.471 229 HB THR 29 HB THR 29 7.940 -4.191 -5.387 230 HG1 THR 29 HG1 THR 29 9.044 -4.424 -7.154 231 1HG2 THR 29 HG22 THR 29 7.713 -1.931 -4.357 232 2HG2 THR 29 HG21 THR 29 8.835 -1.302 -5.561 233 3HG2 THR 29 HG23 THR 29 7.272 -1.946 -6.065 234 H GLU 30 HN GLU 30 12.317 -4.167 -4.503 235 HA GLU 30 HA GLU 30 11.992 -6.898 -5.547 236 1HB GLU 30 HB2 GLU 30 14.424 -6.885 -5.723 237 2HB GLU 30 HB1 GLU 30 13.802 -5.364 -6.360 238 1HG GLU 30 HG2 GLU 30 14.260 -4.279 -4.178 239 2HG GLU 30 HG1 GLU 30 14.932 -5.790 -3.578 240 H LEU 31 HN LEU 31 10.923 -6.485 -2.894 241 HA LEU 31 HA LEU 31 12.645 -8.352 -1.369 242 1HB LEU 31 HB2 LEU 31 11.140 -5.983 -0.197 243 2HB LEU 31 HB1 LEU 31 12.091 -7.158 0.709 244 HG LEU 31 HG LEU 31 13.613 -5.952 -1.478 245 1HD1 LEU 31 HD13 LEU 31 11.996 -4.227 0.260 246 2HD1 LEU 31 HD12 LEU 31 13.720 -3.856 0.316 247 3HD1 LEU 31 HD11 LEU 31 12.862 -3.831 -1.225 248 1HD2 LEU 31 HD21 LEU 31 13.907 -6.384 1.493 249 2HD2 LEU 31 HD23 LEU 31 14.814 -7.134 0.179 250 3HD2 LEU 31 HD22 LEU 31 15.094 -5.442 0.590 251 H THR 32 HN THR 32 11.354 -10.085 -1.739 252 HA THR 32 HA THR 32 8.685 -10.386 -2.189 253 HB THR 32 HB THR 32 8.860 -12.579 -0.890 254 HG1 THR 32 HG1 THR 32 10.897 -13.067 -0.130 255 1HG2 THR 32 HG21 THR 32 10.821 -11.769 -3.038 256 2HG2 THR 32 HG23 THR 32 10.621 -13.440 -2.513 257 3HG2 THR 32 HG22 THR 32 9.267 -12.577 -3.242 258 H VAL 33 HN VAL 33 6.817 -10.939 -0.867 259 HA VAL 33 HA VAL 33 6.863 -10.209 1.979 260 HB VAL 33 HB VAL 33 4.966 -8.521 1.543 261 1HG1 VAL 33 HG11 VAL 33 7.363 -7.990 2.198 262 2HG1 VAL 33 HG13 VAL 33 7.688 -7.732 0.484 263 3HG1 VAL 33 HG12 VAL 33 6.523 -6.709 1.325 264 1HG2 VAL 33 HG22 VAL 33 4.714 -9.249 -0.867 265 2HG2 VAL 33 HG21 VAL 33 4.890 -7.508 -0.651 266 3HG2 VAL 33 HG23 VAL 33 6.262 -8.471 -1.199 267 H THR 34 HN THR 34 4.639 -10.543 2.934 268 HA THR 34 HA THR 34 3.527 -13.023 2.058 269 HB THR 34 HB THR 34 2.874 -10.978 4.105 270 HG1 THR 34 HG1 THR 34 3.718 -12.657 5.039 271 1HG2 THR 34 HG23 THR 34 0.766 -12.764 2.870 272 2HG2 THR 34 HG22 THR 34 0.631 -12.143 4.514 273 3HG2 THR 34 HG21 THR 34 0.684 -11.026 3.152 274 H ASP 35 HN ASP 35 2.317 -13.336 0.281 275 HA ASP 35 HA ASP 35 1.016 -11.114 -1.107 276 1HB ASP 35 HB2 ASP 35 2.028 -13.447 -1.983 277 2HB ASP 35 HB1 ASP 35 0.352 -13.944 -1.773 278 H ILE 36 HN ILE 36 -0.978 -10.376 -0.517 279 HA ILE 36 HA ILE 36 -2.727 -12.209 1.045 280 HB ILE 36 HB ILE 36 -3.709 -10.312 2.003 281 1HG1 ILE 36 HG12 ILE 36 -2.870 -9.002 -0.563 282 2HG1 ILE 36 HG11 ILE 36 -4.435 -8.960 0.248 283 1HG2 ILE 36 HG23 ILE 36 -1.152 -10.604 2.373 284 2HG2 ILE 36 HG22 ILE 36 -0.999 -9.158 1.376 285 3HG2 ILE 36 HG21 ILE 36 -1.904 -9.094 2.889 286 1HD1 ILE 36 HD12 ILE 36 -3.088 -7.687 2.127 287 2HD1 ILE 36 HD11 ILE 36 -1.967 -7.350 0.807 288 3HD1 ILE 36 HD13 ILE 36 -3.645 -6.820 0.699 289 H PHE 37 HN PHE 37 -2.384 -12.301 -1.915 290 HA PHE 37 HA PHE 37 -5.260 -11.926 -2.620 291 1HB PHE 37 HB2 PHE 37 -2.863 -11.231 -4.348 292 2HB PHE 37 HB1 PHE 37 -4.535 -11.238 -4.908 293 HD1 PHE 37 HD2 PHE 37 -6.165 -9.956 -3.077 294 HD2 PHE 37 HD1 PHE 37 -2.024 -9.126 -3.857 295 HE1 PHE 37 HE2 PHE 37 -6.463 -7.653 -2.209 296 HE2 PHE 37 HE1 PHE 37 -2.321 -6.821 -2.990 297 HZ PHE 37 HZ PHE 37 -4.544 -6.085 -2.168 298 H ALA 38 HN ALA 38 -3.723 -14.307 -1.773 299 HA ALA 38 HA ALA 38 -3.238 -15.881 -4.185 300 1HB ALA 38 HB1 ALA 38 -1.985 -16.315 -2.100 301 2HB ALA 38 HB3 ALA 38 -3.489 -16.757 -1.293 302 3HB ALA 38 HB2 ALA 38 -2.877 -17.747 -2.617 303 H ALA 39 HN ALA 39 -5.744 -15.838 -1.650 304 HA ALA 39 HA ALA 39 -7.637 -16.989 -3.626 305 1HB ALA 39 HB3 ALA 39 -6.458 -18.511 -1.527 306 2HB ALA 39 HB2 ALA 39 -8.139 -18.219 -1.081 307 3HB ALA 39 HB1 ALA 39 -7.758 -18.997 -2.617 308 H SER 40 HN SER 40 -9.692 -16.153 -3.379 309 HA SER 40 HA SER 40 -10.243 -14.596 -0.890 310 1HB SER 40 HB2 SER 40 -10.876 -12.702 -2.061 311 2HB SER 40 HB1 SER 40 -9.608 -13.298 -3.127 312 HG SER 40 HG SER 40 -11.078 -13.576 -4.591 313 H LYS 41 HN LYS 41 -12.069 -15.366 0.040 314 HA LYS 41 HA LYS 41 -14.119 -16.616 -1.747 315 1HB LYS 41 HB2 LYS 41 -12.906 -18.167 -0.146 316 2HB LYS 41 HB1 LYS 41 -13.652 -17.264 1.173 317 1HG LYS 41 HG2 LYS 41 -15.820 -17.760 -0.424 318 2HG LYS 41 HG1 LYS 41 -14.857 -19.215 -0.686 319 1HD LYS 41 HD2 LYS 41 -14.721 -18.685 2.084 320 2HD LYS 41 HD1 LYS 41 -16.412 -18.473 1.630 321 1HE LYS 41 HE2 LYS 41 -16.516 -20.736 1.838 322 2HE LYS 41 HE1 LYS 41 -15.773 -20.738 0.239 323 1HZ LYS 41 HZ1 LYS 41 -13.600 -20.523 1.647 324 2HZ LYS 41 HZ3 LYS 41 -14.553 -21.229 2.859 325 3HZ LYS 41 HZ2 LYS 41 -14.316 -22.041 1.385 326 H ASP 42 HN ASP 42 -13.680 -14.875 1.345 327 HA ASP 42 HA ASP 42 -16.136 -13.340 0.742 328 1HB ASP 42 HB2 ASP 42 -15.799 -15.230 3.052 329 2HB ASP 42 HB1 ASP 42 -16.764 -13.768 3.262 330 H THR 43 HN THR 43 -13.737 -12.192 0.557 331 HA THR 43 HA THR 43 -13.060 -10.990 3.186 332 HB THR 43 HB THR 43 -11.556 -9.919 0.956 333 HG1 THR 43 HG1 THR 43 -10.601 -12.277 0.855 334 1HG2 THR 43 HG22 THR 43 -11.149 -10.504 3.593 335 2HG2 THR 43 HG21 THR 43 -10.295 -11.836 2.814 336 3HG2 THR 43 HG23 THR 43 -9.853 -10.170 2.443 337 H THR 44 HN THR 44 -12.198 -8.458 2.269 338 HA THR 44 HA THR 44 -14.471 -7.218 0.876 339 HB THR 44 HB THR 44 -13.845 -6.026 3.538 340 HG1 THR 44 HG1 THR 44 -15.527 -7.426 4.385 341 1HG2 THR 44 HG21 THR 44 -16.065 -6.094 1.553 342 2HG2 THR 44 HG23 THR 44 -16.504 -5.893 3.250 343 3HG2 THR 44 HG22 THR 44 -15.423 -4.736 2.476 344 H GLU 45 HN GLU 45 -14.084 -4.681 0.981 345 HA GLU 45 HA GLU 45 -11.432 -4.256 -0.118 346 1HB GLU 45 HB2 GLU 45 -12.158 -1.957 -0.453 347 2HB GLU 45 HB1 GLU 45 -13.484 -3.033 -0.893 348 1HG GLU 45 HG2 GLU 45 -14.373 -2.734 1.461 349 2HG GLU 45 HG1 GLU 45 -13.168 -1.465 1.676 350 H LYS 46 HN LYS 46 -13.087 -3.397 2.907 351 HA LYS 46 HA LYS 46 -10.919 -1.839 3.983 352 1HB LYS 46 HB2 LYS 46 -12.089 -1.981 6.084 353 2HB LYS 46 HB1 LYS 46 -13.313 -1.847 4.822 354 1HG LYS 46 HG2 LYS 46 -13.283 -4.450 4.835 355 2HG LYS 46 HG1 LYS 46 -12.504 -4.276 6.407 356 1HD LYS 46 HD2 LYS 46 -15.130 -2.956 5.667 357 2HD LYS 46 HD1 LYS 46 -15.005 -4.483 6.541 358 1HE LYS 46 HE2 LYS 46 -13.644 -1.955 7.489 359 2HE LYS 46 HE1 LYS 46 -15.277 -2.399 7.989 360 1HZ LYS 46 HZ3 LYS 46 -13.325 -4.516 8.213 361 2HZ LYS 46 HZ2 LYS 46 -13.039 -3.189 9.234 362 3HZ LYS 46 HZ1 LYS 46 -14.518 -4.019 9.312 363 H GLU 47 HN GLU 47 -11.690 -5.278 3.967 364 HA GLU 47 HA GLU 47 -9.718 -6.043 5.935 365 1HB GLU 47 HB2 GLU 47 -11.607 -7.365 4.167 366 2HB GLU 47 HB1 GLU 47 -10.054 -8.202 4.169 367 1HG GLU 47 HG2 GLU 47 -10.860 -9.192 6.053 368 2HG GLU 47 HG1 GLU 47 -10.362 -7.691 6.832 369 H THR 48 HN THR 48 -9.699 -5.793 2.388 370 HA THR 48 HA THR 48 -6.994 -6.810 2.130 371 HB THR 48 HB THR 48 -8.962 -5.463 0.318 372 HG1 THR 48 HG1 THR 48 -7.374 -7.672 -0.301 373 1HG2 THR 48 HG22 THR 48 -5.984 -5.695 -0.127 374 2HG2 THR 48 HG21 THR 48 -7.126 -5.621 -1.470 375 3HG2 THR 48 HG23 THR 48 -7.011 -4.276 -0.336 376 H PHE 49 HN PHE 49 -8.338 -3.674 2.869 377 HA PHE 49 HA PHE 49 -5.910 -2.230 2.100 378 1HB PHE 49 HB2 PHE 49 -8.405 -1.417 3.608 379 2HB PHE 49 HB1 PHE 49 -7.055 -0.318 3.337 380 HD1 PHE 49 HD2 PHE 49 -6.216 -1.117 0.573 381 HD2 PHE 49 HD1 PHE 49 -10.125 -0.540 2.266 382 HE1 PHE 49 HE2 PHE 49 -7.115 -0.603 -1.675 383 HE2 PHE 49 HE1 PHE 49 -11.019 -0.018 0.014 384 HZ PHE 49 HZ PHE 49 -9.516 -0.051 -1.956 385 H CYS 50 HN CYS 50 -7.218 -3.695 5.009 386 HA CYS 50 HA CYS 50 -5.288 -2.382 6.769 387 1HB CYS 50 HB2 CYS 50 -7.403 -3.115 7.720 388 2HB CYS 50 HB1 CYS 50 -7.114 -4.771 7.180 389 NH1 ARG 51 NH2 ARG 51 -7.815 -11.364 5.439 390 NH2 ARG 51 NH1 ARG 51 -6.793 -12.744 6.907 391 H ARG 51 HN ARG 51 -5.638 -5.638 5.336 392 HA ARG 51 HA ARG 51 -3.250 -6.718 6.485 393 1HB ARG 51 HB2 ARG 51 -5.109 -7.442 4.299 394 2HB ARG 51 HB1 ARG 51 -3.467 -8.058 4.113 395 1HG ARG 51 HG2 ARG 51 -3.604 -9.397 5.985 396 2HG ARG 51 HG1 ARG 51 -4.736 -8.318 6.801 397 1HD ARG 51 HD2 ARG 51 -6.574 -9.095 5.499 398 2HD ARG 51 HD1 ARG 51 -5.511 -9.899 4.345 399 HE ARG 51 HE ARG 51 -4.947 -11.138 6.763 400 1HH1 ARG 51 HH21 ARG 51 -7.819 -10.542 4.873 401 2HH1 ARG 51 HH22 ARG 51 -8.613 -11.967 5.442 402 1HH2 ARG 51 HH11 ARG 51 -6.003 -12.980 7.473 403 2HH2 ARG 51 HH12 ARG 51 -7.597 -13.338 6.899 404 H ALA 52 HN ALA 52 -3.840 -5.271 3.262 405 HA ALA 52 HA ALA 52 -1.090 -5.343 2.453 406 1HB ALA 52 HB1 ALA 52 -3.400 -3.587 1.581 407 2HB ALA 52 HB3 ALA 52 -1.814 -3.559 0.810 408 3HB ALA 52 HB2 ALA 52 -2.788 -5.028 0.768 409 H ALA 53 HN ALA 53 -2.953 -3.104 4.413 410 HA ALA 53 HA ALA 53 -1.079 -0.914 4.294 411 1HB ALA 53 HB3 ALA 53 -3.327 -1.695 6.134 412 2HB ALA 53 HB2 ALA 53 -2.230 -0.399 6.608 413 3HB ALA 53 HB1 ALA 53 -3.166 -0.260 5.121 414 H THR 54 HN THR 54 -1.283 -3.863 6.201 415 HA THR 54 HA THR 54 0.676 -3.089 8.181 416 HB THR 54 HB THR 54 -0.165 -5.834 7.182 417 HG1 THR 54 HG1 THR 54 -0.809 -4.548 9.612 418 1HG2 THR 54 HG21 THR 54 1.725 -4.924 9.326 419 2HG2 THR 54 HG23 THR 54 0.776 -6.389 9.580 420 3HG2 THR 54 HG22 THR 54 1.877 -6.278 8.206 421 H VAL 55 HN VAL 55 0.799 -4.892 5.116 422 HA VAL 55 HA VAL 55 3.616 -5.369 5.096 423 HB VAL 55 HB VAL 55 1.780 -4.874 2.725 424 1HG1 VAL 55 HG12 VAL 55 4.462 -6.258 3.018 425 2HG1 VAL 55 HG11 VAL 55 3.447 -6.376 1.580 426 3HG1 VAL 55 HG13 VAL 55 4.110 -4.815 2.067 427 1HG2 VAL 55 HG23 VAL 55 2.341 -7.299 4.432 428 2HG2 VAL 55 HG22 VAL 55 0.782 -6.646 3.928 429 3HG2 VAL 55 HG21 VAL 55 1.812 -7.471 2.759 430 H LEU 56 HN LEU 56 1.669 -2.547 4.358 431 HA LEU 56 HA LEU 56 3.704 -1.048 2.979 432 1HB LEU 56 HB2 LEU 56 1.099 -0.419 4.329 433 2HB LEU 56 HB1 LEU 56 2.195 0.911 3.955 434 HG LEU 56 HG LEU 56 1.812 -1.034 1.762 435 1HD1 LEU 56 HD13 LEU 56 -0.453 0.465 3.014 436 2HD1 LEU 56 HD12 LEU 56 -0.382 0.396 1.254 437 3HD1 LEU 56 HD11 LEU 56 -0.462 -1.095 2.192 438 1HD2 LEU 56 HD23 LEU 56 1.851 1.971 2.096 439 2HD2 LEU 56 HD22 LEU 56 3.077 0.951 1.343 440 3HD2 LEU 56 HD21 LEU 56 1.521 1.193 0.549 441 NH1 ARG 57 NH2 ARG 57 1.384 0.042 12.753 442 NH2 ARG 57 NH1 ARG 57 1.261 2.176 12.022 443 H ARG 57 HN ARG 57 2.734 -1.379 6.372 444 HA ARG 57 HA ARG 57 4.362 0.647 7.495 445 1HB ARG 57 HB2 ARG 57 2.686 -0.661 8.787 446 2HB ARG 57 HB1 ARG 57 3.725 -2.081 8.668 447 1HG ARG 57 HG2 ARG 57 5.319 -1.208 10.114 448 2HG ARG 57 HG1 ARG 57 4.886 0.461 9.746 449 1HD ARG 57 HD2 ARG 57 2.850 -1.284 11.080 450 2HD ARG 57 HD1 ARG 57 4.170 -0.631 12.049 451 HE ARG 57 HE ARG 57 3.206 1.566 10.658 452 1HH1 ARG 57 HH21 ARG 57 1.815 -0.859 12.748 453 2HH1 ARG 57 HH22 ARG 57 0.592 0.208 13.340 454 1HH2 ARG 57 HH11 ARG 57 1.605 2.919 11.448 455 2HH2 ARG 57 HH12 ARG 57 0.472 2.326 12.616 456 H GLN 58 HN GLN 58 5.116 -2.834 7.067 457 HA GLN 58 HA GLN 58 7.841 -2.661 7.842 458 1HB GLN 58 HB2 GLN 58 6.230 -4.702 7.059 459 2HB GLN 58 HB1 GLN 58 7.210 -4.507 5.605 460 1HG GLN 58 HG2 GLN 58 9.222 -4.446 7.275 461 2HG GLN 58 HG1 GLN 58 8.092 -5.208 8.394 462 1HE2 GLN 58 HE22 GLN 58 8.405 -8.369 6.890 463 2HE2 GLN 58 HE21 GLN 58 7.887 -7.449 8.220 464 H PHE 59 HN PHE 59 6.222 -1.783 4.860 465 HA PHE 59 HA PHE 59 8.423 -1.681 3.086 466 1HB PHE 59 HB2 PHE 59 5.860 -1.194 2.720 467 2HB PHE 59 HB1 PHE 59 6.323 0.471 3.067 468 HD1 PHE 59 HD2 PHE 59 8.625 1.190 1.817 469 HD2 PHE 59 HD1 PHE 59 5.874 -1.828 0.484 470 HE1 PHE 59 HE2 PHE 59 9.471 1.440 -0.499 471 HE2 PHE 59 HE1 PHE 59 6.719 -1.576 -1.833 472 HZ PHE 59 HZ PHE 59 8.518 0.058 -2.325 473 OH TYR 60 OH TYR 60 6.797 4.248 11.081 474 H TYR 60 HN TYR 60 7.114 0.970 5.122 475 HA TYR 60 HA TYR 60 9.565 2.530 4.619 476 1HB TYR 60 HB2 TYR 60 8.303 4.337 5.135 477 2HB TYR 60 HB1 TYR 60 6.935 3.232 5.032 478 HD1 TYR 60 HD2 TYR 60 6.266 1.955 7.178 479 HD2 TYR 60 HD1 TYR 60 8.830 5.400 7.168 480 HE1 TYR 60 HE2 TYR 60 5.804 2.306 9.590 481 HE2 TYR 60 HE1 TYR 60 8.366 5.753 9.579 482 HH TYR 60 HH TYR 60 7.376 4.946 11.396 483 H SER 61 HN SER 61 8.931 0.045 6.700 484 HA SER 61 HA SER 61 10.157 1.293 9.077 485 1HB SER 61 HB2 SER 61 8.440 -0.935 8.613 486 2HB SER 61 HB1 SER 61 9.921 -1.541 9.349 487 HG SER 61 HG SER 61 9.341 -0.627 11.144 488 H HIS 62 HN HIS 62 10.886 -1.623 7.098 489 HA HIS 62 HA HIS 62 13.674 -1.509 8.063 490 1HB HIS 62 HB2 HIS 62 11.963 -3.589 7.341 491 2HB HIS 62 HB1 HIS 62 13.120 -3.509 6.013 492 HD1 HIS 62 HD1 HIS 62 13.139 -5.859 8.087 493 HD2 HIS 62 HD2 HIS 62 15.556 -2.471 8.334 494 HE1 HIS 62 HE1 HIS 62 15.129 -6.501 9.513 495 H HIS 63 HN HIS 63 11.893 -1.059 5.015 496 HA HIS 63 HA HIS 63 14.400 -0.667 3.530 497 1HB HIS 63 HB2 HIS 63 11.618 -0.043 2.533 498 2HB HIS 63 HB1 HIS 63 13.050 -0.455 1.588 499 HD1 HIS 63 HD1 HIS 63 14.007 -2.911 3.227 500 HD2 HIS 63 HD2 HIS 63 10.063 -2.311 2.016 501 HE1 HIS 63 HE1 HIS 63 12.909 -5.193 3.204 502 H GLU 64 HN GLU 64 12.995 1.282 5.732 503 HA GLU 64 HA GLU 64 12.921 3.771 4.199 504 1HB GLU 64 HB2 GLU 64 11.545 4.073 6.002 505 2HB GLU 64 HB1 GLU 64 12.450 2.943 7.010 506 1HG GLU 64 HG2 GLU 64 14.132 4.572 7.493 507 2HG GLU 64 HG1 GLU 64 13.536 5.658 6.237 508 H LYS 65 HN LYS 65 15.135 2.214 6.505 509 HA LYS 65 HA LYS 65 17.241 4.134 5.599 510 1HB LYS 65 HB2 LYS 65 16.590 4.548 7.954 511 2HB LYS 65 HB1 LYS 65 16.954 2.866 8.341 512 1HG LYS 65 HG2 LYS 65 19.241 3.163 8.127 513 2HG LYS 65 HG1 LYS 65 19.065 4.499 6.990 514 1HD LYS 65 HD2 LYS 65 18.106 5.860 8.909 515 2HD LYS 65 HD1 LYS 65 18.621 4.557 9.982 516 1HE LYS 65 HE2 LYS 65 20.691 5.478 8.092 517 2HE LYS 65 HE1 LYS 65 20.199 6.681 9.284 518 1HZ LYS 65 HZ1 LYS 65 20.565 4.041 10.371 519 2HZ LYS 65 HZ3 LYS 65 21.982 4.703 9.717 520 3HZ LYS 65 HZ2 LYS 65 21.140 5.538 10.933 521 H ASP 66 HN ASP 66 17.801 2.531 3.958 522 HA ASP 66 HA ASP 66 19.766 0.611 4.917 523 1HB ASP 66 HB2 ASP 66 17.281 -0.409 5.014 524 2HB ASP 66 HB1 ASP 66 17.628 -0.710 3.311 525 H THR 67 HN THR 67 21.261 0.250 3.301 526 HA THR 67 HA THR 67 21.193 1.830 0.929 527 HB THR 67 HB THR 67 23.087 0.233 0.206 528 HG1 THR 67 HG1 THR 67 23.218 -1.497 1.356 529 1HG2 THR 67 HG23 THR 67 23.324 2.447 1.418 530 2HG2 THR 67 HG22 THR 67 23.389 1.529 2.923 531 3HG2 THR 67 HG21 THR 67 24.636 1.301 1.696 532 NH1 ARG 68 NH2 ARG 68 19.269 -6.620 -2.098 533 NH2 ARG 68 NH1 ARG 68 17.027 -6.856 -1.928 534 H ARG 68 HN ARG 68 19.741 -1.235 1.621 535 HA ARG 68 HA ARG 68 19.727 -2.498 -0.887 536 1HB ARG 68 HB2 ARG 68 17.611 -2.341 1.270 537 2HB ARG 68 HB1 ARG 68 17.452 -3.377 -0.149 538 1HG ARG 68 HG2 ARG 68 19.937 -3.490 1.549 539 2HG ARG 68 HG1 ARG 68 18.493 -4.392 2.014 540 1HD ARG 68 HD2 ARG 68 19.965 -4.613 -0.629 541 2HD ARG 68 HD1 ARG 68 19.953 -5.817 0.660 542 HE ARG 68 HE ARG 68 17.272 -5.449 0.064 543 1HH1 ARG 68 HH21 ARG 68 20.135 -6.253 -1.764 544 2HH1 ARG 68 HH22 ARG 68 19.257 -7.188 -2.921 545 1HH2 ARG 68 HH11 ARG 68 16.167 -6.665 -1.455 546 2HH2 ARG 68 HH12 ARG 68 17.031 -7.423 -2.751 547 H CYS 69 HN CYS 69 17.518 0.040 0.322 548 HA CYS 69 HA CYS 69 16.226 0.175 -2.329 549 1HB CYS 69 HB2 CYS 69 15.001 0.400 -0.076 550 2HB CYS 69 HB1 CYS 69 15.704 2.017 0.005 551 H LEU 70 HN LEU 70 18.443 2.069 -0.328 552 HA LEU 70 HA LEU 70 18.400 4.477 -1.831 553 1HB LEU 70 HB2 LEU 70 20.782 3.216 -0.436 554 2HB LEU 70 HB1 LEU 70 20.627 4.912 -0.896 555 HG LEU 70 HG LEU 70 18.844 3.436 1.064 556 1HD1 LEU 70 HD13 LEU 70 21.307 5.019 1.314 557 2HD1 LEU 70 HD12 LEU 70 19.995 5.589 2.345 558 3HD1 LEU 70 HD11 LEU 70 20.555 3.921 2.471 559 1HD2 LEU 70 HD21 LEU 70 18.754 6.165 -0.190 560 2HD2 LEU 70 HD23 LEU 70 17.429 5.049 0.140 561 3HD2 LEU 70 HD22 LEU 70 18.170 5.955 1.460 562 H GLY 71 HN GLY 71 21.054 2.076 -2.035 563 1HA GLY 71 HA2 GLY 71 21.675 1.031 -4.173 564 2HA GLY 71 HA1 GLY 71 20.997 2.436 -4.998 565 H ALA 72 HN ALA 72 22.548 3.737 -5.816 566 HA ALA 72 HA ALA 72 24.809 4.569 -4.146 567 1HB ALA 72 HB2 ALA 72 25.113 2.684 -6.455 568 2HB ALA 72 HB1 ALA 72 26.354 3.912 -6.203 569 3HB ALA 72 HB3 ALA 72 26.003 2.739 -4.932 570 H THR 73 HN THR 73 22.970 6.286 -4.894 571 HA THR 73 HA THR 73 24.329 7.950 -6.909 572 HB THR 73 HB THR 73 21.773 8.271 -7.799 573 HG1 THR 73 HG1 THR 73 21.020 6.085 -8.078 574 1HG2 THR 73 HG22 THR 73 24.182 7.437 -8.825 575 2HG2 THR 73 HG21 THR 73 23.155 6.032 -9.113 576 3HG2 THR 73 HG23 THR 73 22.696 7.607 -9.760 577 H ALA 74 HN ALA 74 23.859 10.162 -6.617 578 HA ALA 74 HA ALA 74 22.897 10.917 -4.007 579 1HB ALA 74 HB1 ALA 74 24.583 12.177 -5.456 580 2HB ALA 74 HB3 ALA 74 23.202 12.760 -6.387 581 3HB ALA 74 HB2 ALA 74 23.349 13.167 -4.677 582 H GLN 75 HN GLN 75 21.426 10.785 -7.210 583 HA GLN 75 HA GLN 75 19.070 12.304 -6.537 584 1HB GLN 75 HB2 GLN 75 19.669 10.260 -8.685 585 2HB GLN 75 HB1 GLN 75 18.100 11.054 -8.548 586 1HG GLN 75 HG2 GLN 75 20.735 12.534 -8.780 587 2HG GLN 75 HG1 GLN 75 19.662 12.205 -10.141 588 1HE2 GLN 75 HE22 GLN 75 18.947 15.511 -8.179 589 2HE2 GLN 75 HE21 GLN 75 20.453 14.764 -8.411 590 H GLN 76 HN GLN 76 20.004 8.946 -6.111 591 HA GLN 76 HA GLN 76 17.328 7.985 -5.534 592 1HB GLN 76 HB2 GLN 76 20.091 6.866 -5.029 593 2HB GLN 76 HB1 GLN 76 18.625 6.024 -4.527 594 1HG GLN 76 HG2 GLN 76 19.217 6.916 -7.364 595 2HG GLN 76 HG1 GLN 76 19.428 5.272 -6.763 596 1HE2 GLN 76 HE22 GLN 76 15.857 4.714 -6.447 597 2HE2 GLN 76 HE21 GLN 76 17.320 4.348 -5.669 598 H PHE 77 HN PHE 77 19.758 9.657 -3.683 599 HA PHE 77 HA PHE 77 18.799 8.771 -1.084 600 1HB PHE 77 HB2 PHE 77 20.766 10.755 -2.108 601 2HB PHE 77 HB1 PHE 77 20.092 11.066 -0.508 602 HD1 PHE 77 HD2 PHE 77 20.281 9.322 1.288 603 HD2 PHE 77 HD1 PHE 77 22.310 8.963 -2.481 604 HE1 PHE 77 HE2 PHE 77 21.775 7.596 2.257 605 HE2 PHE 77 HE1 PHE 77 23.804 7.237 -1.512 606 HZ PHE 77 HZ PHE 77 23.536 6.554 0.858 607 H HIS 78 HN HIS 78 18.350 11.726 -3.047 608 HA HIS 78 HA HIS 78 16.553 12.923 -1.103 609 1HB HIS 78 HB2 HIS 78 17.912 14.226 -2.772 610 2HB HIS 78 HB1 HIS 78 16.851 13.610 -4.039 611 HD1 HIS 78 HD1 HIS 78 14.215 14.195 -3.695 612 HD2 HIS 78 HD2 HIS 78 16.906 16.451 -1.447 613 HE1 HIS 78 HE1 HIS 78 12.946 16.234 -2.892 614 NH1 ARG 79 NH2 ARG 79 13.331 10.371 -10.245 615 NH2 ARG 79 NH1 ARG 79 14.840 8.690 -10.248 616 H ARG 79 HN ARG 79 16.166 10.823 -3.891 617 HA ARG 79 HA ARG 79 13.280 11.248 -4.059 618 1HB ARG 79 HB2 ARG 79 14.949 10.423 -5.913 619 2HB ARG 79 HB1 ARG 79 14.665 8.837 -5.196 620 1HG ARG 79 HG2 ARG 79 12.616 8.694 -6.127 621 2HG ARG 79 HG1 ARG 79 12.175 10.300 -5.546 622 1HD ARG 79 HD2 ARG 79 12.113 10.337 -7.967 623 2HD ARG 79 HD1 ARG 79 13.511 11.276 -7.442 624 HE ARG 79 HE ARG 79 14.523 8.724 -7.816 625 1HH1 ARG 79 HH21 ARG 79 12.717 10.991 -9.760 626 2HH1 ARG 79 HH22 ARG 79 13.401 10.423 -11.241 627 1HH2 ARG 79 HH11 ARG 79 15.390 8.014 -9.756 628 2HH2 ARG 79 HH12 ARG 79 14.899 8.753 -11.244 629 H HIS 80 HN HIS 80 15.441 9.047 -2.391 630 HA HIS 80 HA HIS 80 13.402 7.100 -1.712 631 1HB HIS 80 HB2 HIS 80 15.792 6.516 -1.677 632 2HB HIS 80 HB1 HIS 80 16.072 7.701 -0.401 633 HD1 HIS 80 HD1 HIS 80 13.655 4.780 -0.920 634 HD2 HIS 80 HD2 HIS 80 16.019 6.484 2.061 635 HE1 HIS 80 HE1 HIS 80 13.336 3.353 1.149 636 H LYS 81 HN LYS 81 14.914 9.816 0.050 637 HA LYS 81 HA LYS 81 13.531 9.529 2.491 638 1HB LYS 81 HB2 LYS 81 15.130 11.533 1.213 639 2HB LYS 81 HB1 LYS 81 13.707 12.315 1.903 640 1HG LYS 81 HG2 LYS 81 14.357 11.892 4.043 641 2HG LYS 81 HG1 LYS 81 14.962 10.284 3.644 642 1HD LYS 81 HD2 LYS 81 16.864 11.566 2.403 643 2HD LYS 81 HD1 LYS 81 16.360 12.937 3.393 644 1HE LYS 81 HE2 LYS 81 16.979 11.902 5.387 645 2HE LYS 81 HE1 LYS 81 16.831 10.280 4.707 646 1HZ LYS 81 HZ2 LYS 81 18.745 11.288 3.166 647 2HZ LYS 81 HZ1 LYS 81 19.056 12.142 4.601 648 3HZ LYS 81 HZ3 LYS 81 19.060 10.446 4.607 649 H GLN 82 HN GLN 82 12.403 10.736 -0.601 650 HA GLN 82 HA GLN 82 9.975 11.932 0.495 651 1HB GLN 82 HB2 GLN 82 11.035 12.670 -1.657 652 2HB GLN 82 HB1 GLN 82 10.576 11.122 -2.365 653 1HG GLN 82 HG2 GLN 82 8.210 11.967 -1.233 654 2HG GLN 82 HG1 GLN 82 8.919 13.481 -1.797 655 1HE2 GLN 82 HE22 GLN 82 7.418 10.867 -4.488 656 2HE2 GLN 82 HE21 GLN 82 7.288 10.608 -2.816 657 H LEU 83 HN LEU 83 10.889 8.843 -0.967 658 HA LEU 83 HA LEU 83 8.263 7.774 -1.285 659 1HB LEU 83 HB2 LEU 83 10.343 6.761 -2.234 660 2HB LEU 83 HB1 LEU 83 10.804 6.262 -0.606 661 HG LEU 83 HG LEU 83 8.058 5.511 -1.369 662 1HD1 LEU 83 HD12 LEU 83 10.436 4.707 -2.992 663 2HD1 LEU 83 HD11 LEU 83 9.237 3.469 -2.619 664 3HD1 LEU 83 HD13 LEU 83 8.759 4.924 -3.491 665 1HD2 LEU 83 HD21 LEU 83 10.458 4.068 -0.199 666 2HD2 LEU 83 HD23 LEU 83 9.085 4.721 0.693 667 3HD2 LEU 83 HD22 LEU 83 8.861 3.344 -0.387 668 H ILE 84 HN ILE 84 10.375 8.036 1.522 669 HA ILE 84 HA ILE 84 8.893 6.217 3.203 670 HB ILE 84 HB ILE 84 10.538 8.591 4.112 671 1HG1 ILE 84 HG12 ILE 84 11.999 7.471 2.629 672 2HG1 ILE 84 HG11 ILE 84 12.378 6.763 4.199 673 1HG2 ILE 84 HG22 ILE 84 9.080 6.649 5.504 674 2HG2 ILE 84 HG21 ILE 84 10.751 6.092 5.590 675 3HG2 ILE 84 HG23 ILE 84 10.328 7.701 6.174 676 1HD1 ILE 84 HD11 ILE 84 10.633 4.965 3.622 677 2HD1 ILE 84 HD13 ILE 84 10.719 5.578 1.972 678 3HD1 ILE 84 HD12 ILE 84 12.157 4.905 2.738 679 NH1 ARG 85 NH2 ARG 85 10.678 15.204 3.073 680 NH2 ARG 85 NH1 ARG 85 12.123 14.187 4.478 681 H ARG 85 HN ARG 85 8.766 9.751 2.744 682 HA ARG 85 HA ARG 85 6.784 10.237 4.751 683 1HB ARG 85 HB2 ARG 85 7.973 11.714 2.494 684 2HB ARG 85 HB1 ARG 85 6.321 12.192 2.882 685 1HG ARG 85 HG2 ARG 85 6.883 12.852 5.059 686 2HG ARG 85 HG1 ARG 85 8.344 11.864 5.084 687 1HD ARG 85 HD2 ARG 85 8.554 13.731 2.922 688 2HD ARG 85 HD1 ARG 85 8.104 14.616 4.379 689 HE ARG 85 HE ARG 85 10.147 12.931 5.213 690 1HH1 ARG 85 HH21 ARG 85 9.756 15.327 2.706 691 2HH1 ARG 85 HH22 ARG 85 11.429 15.758 2.717 692 1HH2 ARG 85 HH11 ARG 85 12.311 13.520 5.199 693 2HH2 ARG 85 HH12 ARG 85 12.864 14.748 4.111 694 H PHE 86 HN PHE 86 6.543 9.305 1.352 695 HA PHE 86 HA PHE 86 3.682 9.677 1.164 696 1HB PHE 86 HB2 PHE 86 5.819 8.867 -0.559 697 2HB PHE 86 HB1 PHE 86 4.553 7.643 -0.639 698 HD1 PHE 86 HD1 PHE 86 4.640 11.386 -0.305 699 HD2 PHE 86 HD2 PHE 86 3.058 7.976 -2.383 700 HE1 PHE 86 HE1 PHE 86 3.277 12.887 -1.732 701 HE2 PHE 86 HE2 PHE 86 1.695 9.478 -3.810 702 HZ PHE 86 HZ PHE 86 1.807 11.934 -3.484 703 H LEU 87 HN LEU 87 5.754 7.046 2.232 704 HA LEU 87 HA LEU 87 3.700 5.004 2.176 705 1HB LEU 87 HB2 LEU 87 6.448 5.059 2.619 706 2HB LEU 87 HB1 LEU 87 5.780 4.614 4.189 707 HG LEU 87 HG LEU 87 6.178 2.598 2.861 708 1HD1 LEU 87 HD13 LEU 87 4.174 2.732 4.359 709 2HD1 LEU 87 HD12 LEU 87 3.213 3.228 2.966 710 3HD1 LEU 87 HD11 LEU 87 3.951 1.627 3.004 711 1HD2 LEU 87 HD21 LEU 87 5.325 4.255 0.735 712 2HD2 LEU 87 HD23 LEU 87 5.821 2.565 0.635 713 3HD2 LEU 87 HD22 LEU 87 4.120 2.972 0.864 714 H LYS 88 HN LYS 88 4.916 7.216 4.688 715 HA LYS 88 HA LYS 88 3.349 6.103 6.825 716 1HB LYS 88 HB2 LYS 88 4.387 8.936 6.496 717 2HB LYS 88 HB1 LYS 88 3.860 8.194 8.007 718 1HG LYS 88 HG2 LYS 88 5.626 6.372 7.503 719 2HG LYS 88 HG1 LYS 88 6.280 7.521 6.336 720 1HD LYS 88 HD2 LYS 88 5.784 8.198 9.246 721 2HD LYS 88 HD1 LYS 88 7.340 7.649 8.626 722 1HE LYS 88 HE2 LYS 88 7.821 9.690 7.801 723 2HE LYS 88 HE1 LYS 88 6.257 9.795 6.990 724 1HZ LYS 88 HZ1 LYS 88 5.405 10.207 9.390 725 2HZ LYS 88 HZ3 LYS 88 7.010 10.657 9.696 726 3HZ LYS 88 HZ2 LYS 88 6.109 11.481 8.515 727 NH1 ARG 89 NH2 ARG 89 -0.819 13.768 0.551 728 NH2 ARG 89 NH1 ARG 89 -3.055 13.458 0.645 729 H ARG 89 HN ARG 89 2.779 8.826 4.600 730 HA ARG 89 HA ARG 89 0.318 9.721 5.658 731 1HB ARG 89 HB2 ARG 89 1.029 11.142 4.001 732 2HB ARG 89 HB1 ARG 89 1.682 9.833 3.018 733 1HG ARG 89 HG2 ARG 89 -0.502 9.239 2.212 734 2HG ARG 89 HG1 ARG 89 -1.288 10.304 3.378 735 1HD ARG 89 HD2 ARG 89 0.283 12.118 2.189 736 2HD ARG 89 HD1 ARG 89 0.134 10.986 0.845 737 HE ARG 89 HE ARG 89 -2.472 11.327 1.713 738 1HH1 ARG 89 HH21 ARG 89 0.114 13.456 0.729 739 2HH1 ARG 89 HH22 ARG 89 -0.970 14.653 0.114 740 1HH2 ARG 89 HH11 ARG 89 -3.845 12.902 0.899 741 2HH2 ARG 89 HH12 ARG 89 -3.187 14.346 0.204 742 H LEU 90 HN LEU 90 0.810 7.409 2.984 743 HA LEU 90 HA LEU 90 -1.968 6.639 2.866 744 1HB LEU 90 HB2 LEU 90 -0.223 6.391 1.027 745 2HB LEU 90 HB1 LEU 90 0.394 5.001 1.921 746 HG LEU 90 HG LEU 90 -2.295 4.465 1.868 747 1HD1 LEU 90 HD11 LEU 90 -2.084 6.543 0.093 748 2HD1 LEU 90 HD13 LEU 90 -1.873 5.154 -0.973 749 3HD1 LEU 90 HD12 LEU 90 -3.329 5.295 0.016 750 1HD2 LEU 90 HD22 LEU 90 -0.017 3.241 1.068 751 2HD2 LEU 90 HD21 LEU 90 -1.620 2.620 0.676 752 3HD2 LEU 90 HD23 LEU 90 -0.733 3.581 -0.506 753 H ASP 91 HN ASP 91 0.580 5.753 5.023 754 HA ASP 91 HA ASP 91 -0.227 3.063 5.594 755 1HB ASP 91 HB2 ASP 91 1.721 4.914 6.551 756 2HB ASP 91 HB1 ASP 91 0.832 4.300 7.945 757 NH1 ARG 92 NH2 ARG 92 -6.431 7.479 12.096 758 NH2 ARG 92 NH1 ARG 92 -5.452 9.266 13.072 759 H ARG 92 HN ARG 92 -1.176 6.184 7.045 760 HA ARG 92 HA ARG 92 -3.008 4.781 8.885 761 1HB ARG 92 HB2 ARG 92 -1.678 7.318 8.842 762 2HB ARG 92 HB1 ARG 92 -3.416 7.595 8.966 763 1HG ARG 92 HG2 ARG 92 -2.196 5.462 10.676 764 2HG ARG 92 HG1 ARG 92 -1.951 7.146 11.139 765 1HD ARG 92 HD2 ARG 92 -4.723 6.509 10.375 766 2HD ARG 92 HD1 ARG 92 -4.159 5.651 11.808 767 HE ARG 92 HE ARG 92 -3.371 8.291 12.213 768 1HH1 ARG 92 HH21 ARG 92 -6.375 6.634 11.569 769 2HH1 ARG 92 HH22 ARG 92 -7.321 7.806 12.414 770 1HH2 ARG 92 HH11 ARG 92 -4.633 9.794 13.295 771 2HH2 ARG 92 HH12 ARG 92 -6.349 9.580 13.380 772 H ASN 93 HN ASN 93 -3.172 6.597 5.876 773 HA ASN 93 HA ASN 93 -6.054 7.026 6.073 774 1HB ASN 93 HB2 ASN 93 -3.997 7.411 3.915 775 2HB ASN 93 HB1 ASN 93 -5.717 7.555 3.551 776 1HD2 ASN 93 HD22 ASN 93 -6.033 10.348 5.970 777 2HD2 ASN 93 HD21 ASN 93 -6.781 8.846 5.723 778 H LEU 94 HN LEU 94 -4.046 4.429 4.888 779 HA LEU 94 HA LEU 94 -6.072 3.322 3.131 780 1HB LEU 94 HB2 LEU 94 -3.450 2.882 3.308 781 2HB LEU 94 HB1 LEU 94 -3.988 1.566 4.350 782 HG LEU 94 HG LEU 94 -5.608 0.932 2.482 783 1HD1 LEU 94 HD13 LEU 94 -4.184 3.235 1.285 784 2HD1 LEU 94 HD12 LEU 94 -4.344 1.828 0.234 785 3HD1 LEU 94 HD11 LEU 94 -5.782 2.587 0.918 786 1HD2 LEU 94 HD23 LEU 94 -2.681 0.618 2.603 787 2HD2 LEU 94 HD22 LEU 94 -3.935 -0.608 2.420 788 3HD2 LEU 94 HD21 LEU 94 -3.369 0.292 1.013 789 CH2 TRP 95 CH2 TRP 95 -5.926 -0.746 13.114 790 H TRP 95 HN TRP 95 -4.810 2.043 6.243 791 HA TRP 95 HA TRP 95 -7.298 0.471 6.526 792 1HB TRP 95 HB2 TRP 95 -6.082 -0.931 7.807 793 2HB TRP 95 HB1 TRP 95 -4.693 -0.073 7.145 794 HD1 TRP 95 HD1 TRP 95 -4.086 2.260 8.633 795 HE1 TRP 95 HE1 TRP 95 -3.892 2.448 11.202 796 HE3 TRP 95 HE3 TRP 95 -6.752 -1.856 9.998 797 HZ2 TRP 95 HZ2 TRP 95 -4.759 1.017 13.530 798 HZ3 TRP 95 HZ3 TRP 95 -7.051 -2.431 12.388 799 HH2 TRP 95 HH2 TRP 95 -6.060 -1.002 14.155 800 H GLY 96 HN GLY 96 -5.899 3.373 7.817 801 1HA GLY 96 HA2 GLY 96 -7.140 3.540 10.339 802 2HA GLY 96 HA1 GLY 96 -6.808 4.944 9.328 803 H LEU 97 HN LEU 97 -8.525 3.900 7.132 804 HA LEU 97 HA LEU 97 -11.093 4.853 8.236 805 1HB LEU 97 HB2 LEU 97 -11.794 5.122 5.966 806 2HB LEU 97 HB1 LEU 97 -10.112 5.649 6.016 807 HG LEU 97 HG LEU 97 -9.785 2.993 5.501 808 1HD1 LEU 97 HD11 LEU 97 -12.436 3.872 4.356 809 2HD1 LEU 97 HD13 LEU 97 -11.472 2.618 3.576 810 3HD1 LEU 97 HD12 LEU 97 -12.055 2.385 5.223 811 1HD2 LEU 97 HD21 LEU 97 -9.523 5.476 4.128 812 2HD2 LEU 97 HD23 LEU 97 -8.692 3.958 3.787 813 3HD2 LEU 97 HD22 LEU 97 -10.224 4.321 2.995 814 H ALA 98 HN ALA 98 -9.597 1.890 7.148 815 HA ALA 98 HA ALA 98 -11.808 0.278 6.547 816 1HB ALA 98 HB1 ALA 98 -9.188 -0.330 7.924 817 2HB ALA 98 HB3 ALA 98 -10.360 -1.593 7.554 818 3HB ALA 98 HB2 ALA 98 -9.636 -0.654 6.249 819 H GLY 99 HN GLY 99 -10.259 0.616 9.751 820 1HA GLY 99 HA2 GLY 99 -11.479 0.902 11.817 821 2HA GLY 99 HA1 GLY 99 -12.937 0.340 11.002 822 H LEU 100 HN LEU 100 -9.814 -0.753 12.296 823 HA LEU 100 HA LEU 100 -11.071 -3.250 13.176 824 1HB LEU 100 HB2 LEU 100 -9.804 -3.204 10.653 825 2HB LEU 100 HB1 LEU 100 -8.677 -4.007 11.748 826 HG LEU 100 HG LEU 100 -11.029 -5.144 12.522 827 1HD1 LEU 100 HD11 LEU 100 -11.305 -4.195 9.704 828 2HD1 LEU 100 HD13 LEU 100 -11.900 -5.813 10.081 829 3HD1 LEU 100 HD12 LEU 100 -12.542 -4.414 10.941 830 1HD2 LEU 100 HD22 LEU 100 -8.714 -5.854 10.899 831 2HD2 LEU 100 HD21 LEU 100 -9.581 -6.824 12.089 832 3HD2 LEU 100 HD23 LEU 100 -10.145 -6.767 10.420 833 H ASN 101 HN ASN 101 -9.032 -4.716 14.021 834 HA ASN 101 HA ASN 101 -7.287 -2.818 15.542 835 1HB ASN 101 HB2 ASN 101 -8.652 -5.370 16.413 836 2HB ASN 101 HB1 ASN 101 -7.294 -4.685 17.306 837 1HD2 ASN 101 HD22 ASN 101 -10.854 -3.257 18.166 838 2HD2 ASN 101 HD21 ASN 101 -10.513 -4.810 17.573 839 H SER 102 HN SER 102 -7.276 -6.373 15.221 840 HA SER 102 HA SER 102 -4.381 -6.284 14.699 841 1HB SER 102 HB2 SER 102 -6.350 -8.299 15.555 842 2HB SER 102 HB1 SER 102 -5.114 -8.920 14.466 843 HG SER 102 HG SER 102 -4.867 -7.755 17.011 844 H CYS 103 HN CYS 103 -3.563 -7.826 12.918 845 HA CYS 103 HA CYS 103 -5.271 -8.267 10.613 846 1HB CYS 103 HB2 CYS 103 -4.026 -5.706 10.863 847 2HB CYS 103 HB1 CYS 103 -3.219 -6.575 9.560 848 HA PRO 104 HA PRO 104 -1.615 -11.029 11.278 849 1HB PRO 104 HB2 PRO 104 -3.255 -13.016 9.945 850 2HB PRO 104 HB1 PRO 104 -2.668 -13.009 11.615 851 1HG PRO 104 HG2 PRO 104 -5.350 -12.515 10.713 852 2HG PRO 104 HG1 PRO 104 -4.742 -12.438 12.372 853 1HD PRO 104 HD2 PRO 104 -5.537 -10.243 10.689 854 2HD PRO 104 HD1 PRO 104 -4.894 -10.167 12.343 855 H VAL 105 HN VAL 105 -0.333 -10.027 9.679 856 HA VAL 105 HA VAL 105 -1.066 -10.350 6.835 857 HB VAL 105 HB VAL 105 -0.088 -8.212 7.569 858 1HG1 VAL 105 HG11 VAL 105 1.630 -9.950 9.040 859 2HG1 VAL 105 HG13 VAL 105 2.637 -9.012 7.935 860 3HG1 VAL 105 HG12 VAL 105 1.577 -8.188 9.079 861 1HG2 VAL 105 HG21 VAL 105 0.924 -9.888 5.456 862 2HG2 VAL 105 HG23 VAL 105 0.749 -8.134 5.479 863 3HG2 VAL 105 HG22 VAL 105 2.232 -8.881 6.073 864 H LYS 106 HN LYS 106 -0.856 -12.842 7.480 865 HA LYS 106 HA LYS 106 1.723 -13.706 6.350 866 1HB LYS 106 HB2 LYS 106 0.911 -14.171 9.189 867 2HB LYS 106 HB1 LYS 106 1.717 -15.489 8.335 868 1HG LYS 106 HG2 LYS 106 3.217 -13.255 7.635 869 2HG LYS 106 HG1 LYS 106 2.828 -12.974 9.332 870 1HD LYS 106 HD2 LYS 106 3.715 -15.717 8.550 871 2HD LYS 106 HD1 LYS 106 4.937 -14.446 8.617 872 1HE LYS 106 HE2 LYS 106 3.172 -14.309 10.919 873 2HE LYS 106 HE1 LYS 106 3.921 -15.901 10.790 874 1HZ LYS 106 HZ2 LYS 106 6.054 -14.565 10.363 875 2HZ LYS 106 HZ1 LYS 106 5.211 -13.267 11.063 876 3HZ LYS 106 HZ3 LYS 106 5.476 -14.684 11.957 877 H GLU 107 HN GLU 107 0.114 -14.268 4.661 878 HA GLU 107 HA GLU 107 -1.285 -16.833 5.302 879 1HB GLU 107 HB2 GLU 107 -2.209 -14.400 3.883 880 2HB GLU 107 HB1 GLU 107 -2.617 -15.932 3.107 881 1HG GLU 107 HG2 GLU 107 -4.109 -16.488 4.722 882 2HG GLU 107 HG1 GLU 107 -3.053 -15.922 6.017 883 H ALA 108 HN ALA 108 -0.314 -15.032 2.371 884 HA ALA 108 HA ALA 108 0.339 -17.526 1.038 885 1HB ALA 108 HB1 ALA 108 0.875 -14.639 0.311 886 2HB ALA 108 HB3 ALA 108 1.282 -15.998 -0.731 887 3HB ALA 108 HB2 ALA 108 -0.403 -15.670 -0.325 888 H ASP 109 HN ASP 109 2.480 -18.103 0.351 889 HA ASP 109 HA ASP 109 4.427 -18.190 2.367 890 1HB ASP 109 HB2 ASP 109 4.772 -18.369 -0.642 891 2HB ASP 109 HB1 ASP 109 6.019 -18.808 0.525 892 H GLN 110 HN GLN 110 4.943 -16.357 -0.655 893 HA GLN 110 HA GLN 110 5.399 -13.841 0.584 894 1HB GLN 110 HB2 GLN 110 7.948 -13.839 0.256 895 2HB GLN 110 HB1 GLN 110 7.326 -14.672 1.674 896 1HG GLN 110 HG2 GLN 110 7.372 -16.506 -0.534 897 2HG GLN 110 HG1 GLN 110 8.950 -15.739 -0.388 898 1HE2 GLN 110 HE22 GLN 110 9.644 -17.161 2.824 899 2HE2 GLN 110 HE21 GLN 110 10.021 -15.867 1.791 900 H SER 111 HN SER 111 4.179 -13.445 -1.391 901 HA SER 111 HA SER 111 5.487 -13.925 -3.974 902 1HB SER 111 HB2 SER 111 2.980 -13.898 -3.654 903 2HB SER 111 HB1 SER 111 3.096 -12.158 -3.406 904 HG SER 111 HG SER 111 3.290 -13.649 -5.708 905 H THR 112 HN THR 112 6.593 -12.419 -5.193 906 HA THR 112 HA THR 112 8.047 -10.372 -3.995 907 HB THR 112 HB THR 112 8.519 -9.563 -6.247 908 HG1 THR 112 HG1 THR 112 6.064 -10.716 -6.691 909 1HG2 THR 112 HG22 THR 112 9.231 -11.906 -5.287 910 2HG2 THR 112 HG21 THR 112 8.163 -12.527 -6.546 911 3HG2 THR 112 HG23 THR 112 9.546 -11.523 -6.980 912 H LEU 113 HN LEU 113 7.679 -8.304 -3.420 913 HA LEU 113 HA LEU 113 5.095 -7.271 -3.039 914 1HB LEU 113 HB2 LEU 113 7.236 -6.464 -1.963 915 2HB LEU 113 HB1 LEU 113 7.576 -5.588 -3.456 916 HG LEU 113 HG LEU 113 4.854 -5.134 -2.480 917 1HD1 LEU 113 HD11 LEU 113 7.233 -4.554 -0.715 918 2HD1 LEU 113 HD13 LEU 113 5.785 -3.549 -0.653 919 3HD1 LEU 113 HD12 LEU 113 5.683 -5.267 -0.269 920 1HD2 LEU 113 HD22 LEU 113 6.166 -3.866 -4.255 921 2HD2 LEU 113 HD21 LEU 113 5.406 -2.857 -3.023 922 3HD2 LEU 113 HD23 LEU 113 7.135 -3.195 -2.943 923 H GLU 114 HN GLU 114 7.026 -7.249 -5.947 924 HA GLU 114 HA GLU 114 5.933 -4.991 -7.257 925 1HB GLU 114 HB2 GLU 114 7.743 -6.895 -7.941 926 2HB GLU 114 HB1 GLU 114 6.370 -7.394 -8.929 927 1HG GLU 114 HG2 GLU 114 6.658 -4.526 -9.051 928 2HG GLU 114 HG1 GLU 114 8.192 -5.294 -9.461 929 H ASN 115 HN ASN 115 4.870 -8.387 -7.649 930 HA ASN 115 HA ASN 115 2.507 -7.745 -9.113 931 1HB ASN 115 HB2 ASN 115 3.396 -10.134 -7.518 932 2HB ASN 115 HB1 ASN 115 1.757 -10.066 -8.167 933 1HD2 ASN 115 HD22 ASN 115 2.775 -10.770 -11.465 934 2HD2 ASN 115 HD21 ASN 115 1.489 -10.535 -10.381 935 H PHE 116 HN PHE 116 3.177 -7.635 -5.687 936 HA PHE 116 HA PHE 116 0.463 -7.805 -4.752 937 1HB PHE 116 HB2 PHE 116 1.930 -8.051 -2.993 938 2HB PHE 116 HB1 PHE 116 3.074 -6.878 -3.645 939 HD1 PHE 116 HD1 PHE 116 -0.045 -7.317 -1.717 940 HD2 PHE 116 HD2 PHE 116 2.827 -4.500 -3.224 941 HE1 PHE 116 HE1 PHE 116 -0.986 -5.562 -0.237 942 HE2 PHE 116 HE2 PHE 116 1.885 -2.746 -1.746 943 HZ PHE 116 HZ PHE 116 -0.021 -3.277 -0.252 944 H LEU 117 HN LEU 117 2.545 -4.958 -5.384 945 HA LEU 117 HA LEU 117 0.509 -3.026 -4.866 946 1HB LEU 117 HB2 LEU 117 3.157 -3.023 -6.246 947 2HB LEU 117 HB1 LEU 117 2.068 -1.673 -6.568 948 HG LEU 117 HG LEU 117 2.595 -2.578 -3.744 949 1HD1 LEU 117 HD12 LEU 117 4.792 -2.145 -4.800 950 2HD1 LEU 117 HD11 LEU 117 4.218 -0.562 -5.324 951 3HD1 LEU 117 HD13 LEU 117 4.396 -0.911 -3.605 952 1HD2 LEU 117 HD21 LEU 117 1.058 -0.537 -5.049 953 2HD2 LEU 117 HD23 LEU 117 1.186 -0.873 -3.322 954 3HD2 LEU 117 HD22 LEU 117 2.320 0.238 -4.090 955 H GLU 118 HN GLU 118 1.329 -4.916 -7.716 956 HA GLU 118 HA GLU 118 -0.175 -3.418 -9.632 957 1HB GLU 118 HB2 GLU 118 0.946 -4.989 -10.832 958 2HB GLU 118 HB1 GLU 118 1.042 -6.087 -9.456 959 1HG GLU 118 HG2 GLU 118 -1.183 -6.912 -9.856 960 2HG GLU 118 HG1 GLU 118 -1.490 -5.662 -11.063 961 NH1 ARG 119 NH2 ARG 119 -3.723 -12.437 -7.325 962 NH2 ARG 119 NH1 ARG 119 -1.860 -12.993 -8.475 963 H ARG 119 HN ARG 119 -1.075 -6.151 -7.540 964 HA ARG 119 HA ARG 119 -3.830 -6.224 -8.404 965 1HB ARG 119 HB2 ARG 119 -2.691 -7.176 -5.758 966 2HB ARG 119 HB1 ARG 119 -4.175 -7.728 -6.538 967 1HG ARG 119 HG2 ARG 119 -2.210 -8.075 -8.491 968 2HG ARG 119 HG1 ARG 119 -1.427 -8.584 -6.994 969 1HD ARG 119 HD2 ARG 119 -3.452 -10.003 -6.506 970 2HD ARG 119 HD1 ARG 119 -4.047 -9.609 -8.119 971 HE ARG 119 HE ARG 119 -1.491 -10.570 -8.576 972 1HH1 ARG 119 HH21 ARG 119 -4.330 -11.752 -6.925 973 2HH1 ARG 119 HH22 ARG 119 -3.947 -13.407 -7.239 974 1HH2 ARG 119 HH11 ARG 119 -1.027 -12.728 -8.962 975 2HH2 ARG 119 HH12 ARG 119 -2.098 -13.959 -8.381 976 H LEU 120 HN LEU 120 -2.080 -4.151 -6.229 977 HA LEU 120 HA LEU 120 -4.393 -3.378 -4.636 978 1HB LEU 120 HB2 LEU 120 -1.568 -2.822 -4.677 979 2HB LEU 120 HB1 LEU 120 -2.458 -1.298 -4.635 980 HG LEU 120 HG LEU 120 -3.891 -2.566 -2.799 981 1HD1 LEU 120 HD13 LEU 120 -1.223 -4.003 -2.808 982 2HD1 LEU 120 HD12 LEU 120 -2.323 -4.006 -1.429 983 3HD1 LEU 120 HD11 LEU 120 -2.827 -4.722 -2.959 984 1HD2 LEU 120 HD21 LEU 120 -2.152 -0.550 -2.710 985 2HD2 LEU 120 HD23 LEU 120 -2.750 -1.296 -1.228 986 3HD2 LEU 120 HD22 LEU 120 -1.167 -1.742 -1.863 987 H LYS 121 HN LYS 121 -2.778 -2.180 -7.539 988 HA LYS 121 HA LYS 121 -4.335 0.249 -7.791 989 1HB LYS 121 HB2 LYS 121 -2.096 -0.711 -9.013 990 2HB LYS 121 HB1 LYS 121 -3.309 -1.052 -10.245 991 1HG LYS 121 HG2 LYS 121 -4.069 1.438 -9.683 992 2HG LYS 121 HG1 LYS 121 -2.384 1.585 -9.178 993 1HD LYS 121 HD2 LYS 121 -2.363 2.169 -11.478 994 2HD LYS 121 HD1 LYS 121 -1.800 0.498 -11.440 995 1HE LYS 121 HE2 LYS 121 -4.228 -0.194 -11.811 996 2HE LYS 121 HE1 LYS 121 -4.560 1.502 -12.164 997 1HZ LYS 121 HZ2 LYS 121 -2.267 0.405 -13.537 998 2HZ LYS 121 HZ1 LYS 121 -3.750 -0.295 -13.981 999 3HZ LYS 121 HZ3 LYS 121 -3.526 1.380 -14.130 1000 H THR 122 HN THR 122 -4.697 -3.068 -8.828 1001 HA THR 122 HA THR 122 -6.881 -2.531 -10.664 1002 HB THR 122 HB THR 122 -6.849 -5.247 -9.661 1003 HG1 THR 122 HG1 THR 122 -4.648 -5.566 -10.563 1004 1HG2 THR 122 HG23 THR 122 -6.272 -3.815 -12.248 1005 2HG2 THR 122 HG22 THR 122 -6.088 -5.564 -12.108 1006 3HG2 THR 122 HG21 THR 122 -7.664 -4.818 -11.838 1007 H ILE 123 HN ILE 123 -6.633 -3.591 -7.314 1008 HA ILE 123 HA ILE 123 -9.440 -4.132 -6.963 1009 HB ILE 123 HB ILE 123 -7.241 -3.517 -4.979 1010 1HG1 ILE 123 HG12 ILE 123 -7.265 -5.652 -6.479 1011 2HG1 ILE 123 HG11 ILE 123 -7.029 -5.854 -4.743 1012 1HG2 ILE 123 HG21 ILE 123 -10.162 -4.052 -4.657 1013 2HG2 ILE 123 HG23 ILE 123 -9.062 -4.810 -3.506 1014 3HG2 ILE 123 HG22 ILE 123 -9.089 -3.055 -3.675 1015 1HD1 ILE 123 HD13 ILE 123 -9.778 -5.953 -5.993 1016 2HD1 ILE 123 HD12 ILE 123 -8.764 -7.391 -5.862 1017 3HD1 ILE 123 HD11 ILE 123 -9.278 -6.538 -4.406 1018 H MET 124 HN MET 124 -7.470 -1.222 -6.549 1019 HA MET 124 HA MET 124 -9.664 0.219 -5.253 1020 1HB MET 124 HB2 MET 124 -6.853 0.718 -5.844 1021 2HB MET 124 HB1 MET 124 -7.871 2.135 -6.114 1022 1HG MET 124 HG2 MET 124 -8.330 2.377 -3.908 1023 2HG MET 124 HG1 MET 124 -8.541 0.643 -3.672 1024 1HE MET 124 HE2 MET 124 -6.875 3.615 -3.200 1025 2HE MET 124 HE1 MET 124 -5.246 3.334 -2.589 1026 3HE MET 124 HE3 MET 124 -5.552 3.363 -4.331 1027 NH1 ARG 125 NH2 ARG 125 -11.257 1.381 -14.602 1028 NH2 ARG 125 NH1 ARG 125 -10.154 0.268 -16.226 1029 H ARG 125 HN ARG 125 -8.382 -0.054 -8.528 1030 HA ARG 125 HA ARG 125 -9.893 2.169 -9.575 1031 1HB ARG 125 HB2 ARG 125 -8.052 1.480 -10.887 1032 2HB ARG 125 HB1 ARG 125 -8.540 -0.215 -10.833 1033 1HG ARG 125 HG2 ARG 125 -10.503 1.686 -12.008 1034 2HG ARG 125 HG1 ARG 125 -9.046 1.380 -12.955 1035 1HD ARG 125 HD2 ARG 125 -9.731 -1.149 -12.143 1036 2HD ARG 125 HD1 ARG 125 -11.315 -0.412 -12.358 1037 HE ARG 125 HE ARG 125 -9.595 -1.304 -14.445 1038 1HH1 ARG 125 HH21 ARG 125 -11.571 1.458 -13.659 1039 2HH1 ARG 125 HH22 ARG 125 -11.537 2.067 -15.274 1040 1HH2 ARG 125 HH11 ARG 125 -9.608 -0.514 -16.527 1041 2HH2 ARG 125 HH12 ARG 125 -10.451 0.955 -16.890 1042 H GLU 126 HN GLU 126 -10.513 -1.347 -9.559 1043 HA GLU 126 HA GLU 126 -13.144 -0.890 -10.805 1044 1HB GLU 126 HB2 GLU 126 -11.293 -2.950 -10.895 1045 2HB GLU 126 HB1 GLU 126 -12.593 -3.607 -9.900 1046 1HG GLU 126 HG2 GLU 126 -14.093 -3.611 -11.626 1047 2HG GLU 126 HG1 GLU 126 -13.447 -2.127 -12.327 1048 H LYS 127 HN LYS 127 -11.919 -1.831 -7.604 1049 HA LYS 127 HA LYS 127 -14.655 -2.470 -6.730 1050 1HB LYS 127 HB2 LYS 127 -12.116 -3.310 -5.943 1051 2HB LYS 127 HB1 LYS 127 -12.718 -2.364 -4.580 1052 1HG LYS 127 HG2 LYS 127 -13.458 -4.650 -4.287 1053 2HG LYS 127 HG1 LYS 127 -14.864 -3.680 -4.730 1054 1HD LYS 127 HD2 LYS 127 -15.121 -4.740 -6.724 1055 2HD LYS 127 HD1 LYS 127 -13.384 -4.783 -7.027 1056 1HE LYS 127 HE2 LYS 127 -13.087 -6.750 -5.774 1057 2HE LYS 127 HE1 LYS 127 -14.614 -6.546 -4.918 1058 1HZ LYS 127 HZ3 LYS 127 -15.616 -6.748 -7.275 1059 2HZ LYS 127 HZ2 LYS 127 -14.135 -7.485 -7.665 1060 3HZ LYS 127 HZ1 LYS 127 -15.129 -8.152 -6.458 1061 OH TYR 128 OH TYR 128 -13.104 7.711 -6.599 1062 H TYR 128 HN TYR 128 -12.328 0.198 -6.135 1063 HA TYR 128 HA TYR 128 -14.007 1.303 -4.031 1064 1HB TYR 128 HB2 TYR 128 -12.099 2.421 -3.669 1065 2HB TYR 128 HB1 TYR 128 -11.467 1.952 -5.241 1066 HD1 TYR 128 HD2 TYR 128 -11.964 3.349 -7.261 1067 HD2 TYR 128 HD1 TYR 128 -13.103 4.562 -3.302 1068 HE1 TYR 128 HE2 TYR 128 -12.316 5.664 -8.073 1069 HE2 TYR 128 HE1 TYR 128 -13.456 6.880 -4.115 1070 HH TYR 128 HH TYR 128 -12.798 7.755 -7.507 1071 H SER 129 HN SER 129 -14.277 1.315 -7.454 1072 HA SER 129 HA SER 129 -15.716 3.864 -7.586 1073 1HB SER 129 HB2 SER 129 -14.535 2.045 -9.458 1074 2HB SER 129 HB1 SER 129 -16.227 2.276 -9.891 1075 HG SER 129 HG SER 129 -14.455 3.860 -10.598 1076 H LYS 130 HN LYS 130 -16.604 0.979 -6.257 1077 HA LYS 130 HA LYS 130 -19.443 1.363 -7.116 1078 1HB LYS 130 HB2 LYS 130 -19.790 -1.047 -6.814 1079 2HB LYS 130 HB1 LYS 130 -18.509 -0.759 -7.991 1080 1HG LYS 130 HG2 LYS 130 -17.018 -1.870 -6.726 1081 2HG LYS 130 HG1 LYS 130 -17.397 -0.875 -5.321 1082 1HD LYS 130 HD2 LYS 130 -17.997 -3.048 -4.626 1083 2HD LYS 130 HD1 LYS 130 -19.533 -2.343 -5.131 1084 1HE LYS 130 HE2 LYS 130 -19.321 -3.411 -7.334 1085 2HE LYS 130 HE1 LYS 130 -17.764 -4.093 -6.865 1086 1HZ LYS 130 HZ2 LYS 130 -18.863 -5.299 -5.086 1087 2HZ LYS 130 HZ1 LYS 130 -20.364 -4.644 -5.541 1088 3HZ LYS 130 HZ3 LYS 130 -19.547 -5.696 -6.590 1089 H CYS 131 HN CYS 131 -18.471 2.810 -4.989 1090 HA CYS 131 HA CYS 131 -18.501 1.657 -2.430 1091 1HB CYS 131 HB2 CYS 131 -19.243 4.355 -3.493 1092 2HB CYS 131 HB1 CYS 131 -19.636 3.975 -1.817 1093 H SER 132 HN SER 132 -21.257 2.514 -4.499 1094 HA SER 132 HA SER 132 -22.976 0.618 -3.222 1095 1HB SER 132 HB2 SER 132 -24.509 2.754 -2.451 1096 2HB SER 132 HB1 SER 132 -23.491 1.815 -1.363 1097 HG SER 132 HG SER 132 -22.860 3.900 -1.108 1098 H SER 133 HN SER 133 -24.306 0.079 -4.870 1099 HA SER 133 HA SER 133 -25.661 2.194 -6.413 1100 1HB SER 133 HB2 SER 133 -24.930 0.764 -8.539 1101 2HB SER 133 HB1 SER 133 -23.925 2.077 -7.936 1102 HG SER 133 HG SER 133 -22.471 0.564 -7.773 Start of MODEL 12 Raw file had 1102 H/Q atoms Start of MODEL 12 1 1H GLU 1 HT3 GLU 1 -16.645 15.225 7.989 2 2H GLU 1 HT2 GLU 1 -15.190 14.696 7.290 3 3H GLU 1 HT1 GLU 1 -15.447 16.350 7.573 4 HA GLU 1 HA GLU 1 -17.182 16.432 5.935 5 1HB GLU 1 HB2 GLU 1 -14.588 15.123 5.089 6 2HB GLU 1 HB1 GLU 1 -15.784 15.686 3.922 7 1HG GLU 1 HG2 GLU 1 -15.116 17.643 6.028 8 2HG GLU 1 HG1 GLU 1 -13.782 17.251 4.942 9 H ALA 2 HN ALA 2 -18.970 15.049 6.289 10 HA ALA 2 HA ALA 2 -18.801 12.466 4.821 11 1HB ALA 2 HB1 ALA 2 -18.933 12.657 7.630 12 2HB ALA 2 HB3 ALA 2 -20.560 12.223 7.106 13 3HB ALA 2 HB2 ALA 2 -19.188 11.213 6.651 14 H GLU 3 HN GLU 3 -20.218 12.843 3.181 15 HA GLU 3 HA GLU 3 -22.667 14.423 3.692 16 1HB GLU 3 HB2 GLU 3 -21.037 13.757 1.369 17 2HB GLU 3 HB1 GLU 3 -22.749 13.460 1.067 18 1HG GLU 3 HG2 GLU 3 -22.120 15.986 2.482 19 2HG GLU 3 HG1 GLU 3 -21.596 15.903 0.799 20 H ALA 4 HN ALA 4 -22.216 11.483 1.730 21 HA ALA 4 HA ALA 4 -24.352 10.175 3.346 22 1HB ALA 4 HB3 ALA 4 -25.131 11.263 1.104 23 2HB ALA 4 HB2 ALA 4 -24.309 9.896 0.350 24 3HB ALA 4 HB1 ALA 4 -25.642 9.616 1.470 25 H HIS 5 HN HIS 5 -21.225 9.932 2.465 26 HA HIS 5 HA HIS 5 -21.050 7.142 3.019 27 1HB HIS 5 HB2 HIS 5 -21.779 7.711 0.342 28 2HB HIS 5 HB1 HIS 5 -20.084 7.220 0.307 29 HD1 HIS 5 HD1 HIS 5 -19.566 4.916 1.700 30 HD2 HIS 5 HD2 HIS 5 -23.532 5.580 0.601 31 HE1 HIS 5 HE1 HIS 5 -20.745 2.683 1.886 32 H LYS 6 HN LYS 6 -19.026 6.848 3.785 33 HA LYS 6 HA LYS 6 -16.966 8.884 3.113 34 1HB LYS 6 HB2 LYS 6 -17.748 7.907 5.532 35 2HB LYS 6 HB1 LYS 6 -16.400 6.830 5.170 36 1HG LYS 6 HG2 LYS 6 -14.844 8.525 5.241 37 2HG LYS 6 HG1 LYS 6 -15.990 9.744 4.681 38 1HD LYS 6 HD2 LYS 6 -15.831 10.370 6.898 39 2HD LYS 6 HD1 LYS 6 -17.149 9.203 7.022 40 1HE LYS 6 HE2 LYS 6 -15.579 7.445 7.669 41 2HE LYS 6 HE1 LYS 6 -14.218 8.547 7.449 42 1HZ LYS 6 HZ3 LYS 6 -15.577 9.995 9.119 43 2HZ LYS 6 HZ2 LYS 6 -16.254 8.501 9.560 44 3HZ LYS 6 HZ1 LYS 6 -14.578 8.745 9.681 45 H CYS 7 HN CYS 7 -17.339 7.145 1.027 46 HA CYS 7 HA CYS 7 -14.999 5.292 1.270 47 1HB CYS 7 HB2 CYS 7 -16.105 3.892 -0.464 48 2HB CYS 7 HB1 CYS 7 -17.070 4.024 1.005 49 H ASP 8 HN ASP 8 -16.619 7.720 -0.707 50 HA ASP 8 HA ASP 8 -14.608 7.415 -2.847 51 1HB ASP 8 HB2 ASP 8 -17.248 8.226 -2.838 52 2HB ASP 8 HB1 ASP 8 -16.374 9.752 -2.985 53 H ILE 9 HN ILE 9 -14.658 8.992 0.124 54 HA ILE 9 HA ILE 9 -13.212 11.369 -0.866 55 HB ILE 9 HB ILE 9 -14.046 10.566 1.936 56 1HG1 ILE 9 HG12 ILE 9 -15.106 12.758 0.138 57 2HG1 ILE 9 HG11 ILE 9 -15.845 11.161 0.242 58 1HG2 ILE 9 HG21 ILE 9 -12.237 12.619 0.904 59 2HG2 ILE 9 HG23 ILE 9 -13.569 13.304 1.833 60 3HG2 ILE 9 HG22 ILE 9 -12.509 12.102 2.569 61 1HD1 ILE 9 HD12 ILE 9 -15.312 12.761 2.737 62 2HD1 ILE 9 HD11 ILE 9 -16.764 13.053 1.778 63 3HD1 ILE 9 HD13 ILE 9 -16.479 11.461 2.485 64 H THR 10 HN THR 10 -12.515 9.336 1.973 65 HA THR 10 HA THR 10 -9.694 9.809 1.783 66 HB THR 10 HB THR 10 -11.021 7.530 3.260 67 HG1 THR 10 HG1 THR 10 -10.953 10.289 3.734 68 1HG2 THR 10 HG21 THR 10 -8.426 7.894 3.003 69 2HG2 THR 10 HG23 THR 10 -8.685 9.162 4.200 70 3HG2 THR 10 HG22 THR 10 -9.104 7.492 4.581 71 H LEU 11 HN LEU 11 -11.723 7.105 0.672 72 HA LEU 11 HA LEU 11 -9.462 5.425 0.041 73 1HB LEU 11 HB2 LEU 11 -12.300 5.192 -0.044 74 2HB LEU 11 HB1 LEU 11 -11.671 4.749 -1.633 75 HG LEU 11 HG LEU 11 -9.871 3.478 -0.080 76 1HD1 LEU 11 HD12 LEU 11 -11.499 4.394 1.857 77 2HD1 LEU 11 HD11 LEU 11 -12.330 2.884 1.488 78 3HD1 LEU 11 HD13 LEU 11 -10.640 2.859 1.991 79 1HD2 LEU 11 HD21 LEU 11 -12.517 2.677 -1.221 80 2HD2 LEU 11 HD23 LEU 11 -10.896 2.129 -1.649 81 3HD2 LEU 11 HD22 LEU 11 -11.676 1.515 -0.194 82 H GLN 12 HN GLN 12 -11.539 7.512 -2.018 83 HA GLN 12 HA GLN 12 -10.212 6.955 -4.458 84 1HB GLN 12 HB2 GLN 12 -11.586 8.541 -5.315 85 2HB GLN 12 HB1 GLN 12 -12.285 8.597 -3.701 86 1HG GLN 12 HG2 GLN 12 -10.651 10.392 -3.101 87 2HG GLN 12 HG1 GLN 12 -10.073 10.379 -4.769 88 1HE2 GLN 12 HE22 GLN 12 -13.260 11.702 -6.010 89 2HE2 GLN 12 HE21 GLN 12 -12.168 10.460 -6.389 90 H GLU 13 HN GLU 13 -9.421 9.317 -1.925 91 HA GLU 13 HA GLU 13 -7.198 10.486 -3.341 92 1HB GLU 13 HB2 GLU 13 -8.492 10.870 -0.851 93 2HB GLU 13 HB1 GLU 13 -6.812 10.496 -0.471 94 1HG GLU 13 HG2 GLU 13 -6.809 12.293 -2.691 95 2HG GLU 13 HG1 GLU 13 -7.898 12.951 -1.469 96 H ILE 14 HN ILE 14 -7.601 7.673 -1.278 97 HA ILE 14 HA ILE 14 -4.770 7.122 -0.984 98 HB ILE 14 HB ILE 14 -7.265 6.005 -0.061 99 1HG1 ILE 14 HG12 ILE 14 -5.095 4.716 1.192 100 2HG1 ILE 14 HG11 ILE 14 -4.501 6.319 0.771 101 1HG2 ILE 14 HG23 ILE 14 -5.272 4.004 -1.165 102 2HG2 ILE 14 HG22 ILE 14 -6.654 3.605 -0.151 103 3HG2 ILE 14 HG21 ILE 14 -6.912 4.256 -1.768 104 1HD1 ILE 14 HD12 ILE 14 -7.232 6.216 1.926 105 2HD1 ILE 14 HD11 ILE 14 -5.910 5.822 3.025 106 3HD1 ILE 14 HD13 ILE 14 -5.935 7.379 2.199 107 H ILE 15 HN ILE 15 -7.083 6.628 -3.507 108 HA ILE 15 HA ILE 15 -5.747 4.368 -4.750 109 HB ILE 15 HB ILE 15 -7.835 6.337 -5.724 110 1HG1 ILE 15 HG12 ILE 15 -8.095 3.390 -5.104 111 2HG1 ILE 15 HG11 ILE 15 -8.339 4.631 -3.883 112 1HG2 ILE 15 HG23 ILE 15 -6.341 4.180 -7.133 113 2HG2 ILE 15 HG22 ILE 15 -8.081 4.254 -7.411 114 3HG2 ILE 15 HG21 ILE 15 -7.070 5.651 -7.778 115 1HD1 ILE 15 HD11 ILE 15 -9.885 5.622 -5.871 116 2HD1 ILE 15 HD13 ILE 15 -10.033 3.897 -6.196 117 3HD1 ILE 15 HD12 ILE 15 -10.495 4.537 -4.620 118 H LYS 16 HN LYS 16 -5.882 7.886 -5.370 119 HA LYS 16 HA LYS 16 -4.064 7.805 -7.600 120 1HB LYS 16 HB2 LYS 16 -5.461 9.808 -6.082 121 2HB LYS 16 HB1 LYS 16 -3.771 10.288 -6.248 122 1HG LYS 16 HG2 LYS 16 -3.951 10.599 -8.493 123 2HG LYS 16 HG1 LYS 16 -4.983 9.183 -8.701 124 1HD LYS 16 HD2 LYS 16 -5.985 11.719 -7.401 125 2HD LYS 16 HD1 LYS 16 -6.080 11.456 -9.142 126 1HE LYS 16 HE2 LYS 16 -7.081 9.275 -7.366 127 2HE LYS 16 HE1 LYS 16 -8.068 10.730 -7.508 128 1HZ LYS 16 HZ1 LYS 16 -7.120 9.931 -10.049 129 2HZ LYS 16 HZ3 LYS 16 -7.911 8.631 -9.299 130 3HZ LYS 16 HZ2 LYS 16 -8.723 10.108 -9.514 131 H THR 17 HN THR 17 -3.601 8.427 -4.136 132 HA THR 17 HA THR 17 -0.795 8.891 -4.195 133 HB THR 17 HB THR 17 -2.206 7.449 -1.952 134 HG1 THR 17 HG1 THR 17 -3.048 9.403 -1.323 135 1HG2 THR 17 HG23 THR 17 0.332 8.185 -2.073 136 2HG2 THR 17 HG22 THR 17 -0.332 9.770 -1.678 137 3HG2 THR 17 HG21 THR 17 -0.590 8.410 -0.586 138 H LEU 18 HN LEU 18 -2.680 5.904 -4.038 139 HA LEU 18 HA LEU 18 -0.555 4.091 -3.530 140 1HB LEU 18 HB2 LEU 18 -2.948 3.463 -3.448 141 2HB LEU 18 HB1 LEU 18 -3.077 3.705 -5.185 142 HG LEU 18 HG LEU 18 -2.759 1.287 -4.263 143 1HD1 LEU 18 HD13 LEU 18 -2.443 2.325 -6.679 144 2HD1 LEU 18 HD12 LEU 18 -0.749 1.937 -6.379 145 3HD1 LEU 18 HD11 LEU 18 -1.966 0.661 -6.337 146 1HD2 LEU 18 HD21 LEU 18 -0.726 2.106 -2.883 147 2HD2 LEU 18 HD23 LEU 18 -0.572 0.578 -3.750 148 3HD2 LEU 18 HD22 LEU 18 0.156 2.042 -4.407 149 H ASN 19 HN ASN 19 -1.811 5.463 -6.560 150 HA ASN 19 HA ASN 19 -0.061 3.988 -8.303 151 1HB ASN 19 HB2 ASN 19 -1.890 4.978 -9.396 152 2HB ASN 19 HB1 ASN 19 -1.662 6.524 -8.579 153 1HD2 ASN 19 HD22 ASN 19 0.509 7.776 -11.058 154 2HD2 ASN 19 HD21 ASN 19 -0.401 8.084 -9.659 155 H SER 20 HN SER 20 0.340 6.900 -6.393 156 HA SER 20 HA SER 20 2.655 7.935 -7.738 157 1HB SER 20 HB2 SER 20 1.326 9.253 -6.114 158 2HB SER 20 HB1 SER 20 1.870 8.190 -4.818 159 HG SER 20 HG SER 20 3.753 9.400 -6.509 160 H LEU 21 HN LEU 21 2.247 5.454 -5.242 161 HA LEU 21 HA LEU 21 5.063 5.287 -4.597 162 1HB LEU 21 HB2 LEU 21 2.804 3.288 -4.280 163 2HB LEU 21 HB1 LEU 21 4.444 3.005 -3.693 164 HG LEU 21 HG LEU 21 3.403 5.629 -2.919 165 1HD1 LEU 21 HD13 LEU 21 1.398 3.870 -2.928 166 2HD1 LEU 21 HD12 LEU 21 2.157 3.360 -1.420 167 3HD1 LEU 21 HD11 LEU 21 1.597 5.022 -1.609 168 1HD2 LEU 21 HD23 LEU 21 5.405 4.020 -2.113 169 2HD2 LEU 21 HD22 LEU 21 4.650 5.192 -1.034 170 3HD2 LEU 21 HD21 LEU 21 4.161 3.499 -0.974 171 H THR 22 HN THR 22 3.182 4.156 -7.288 172 HA THR 22 HA THR 22 4.814 1.945 -8.096 173 HB THR 22 HB THR 22 3.431 3.771 -10.052 174 HG1 THR 22 HG1 THR 22 2.033 1.756 -8.711 175 1HG2 THR 22 HG22 THR 22 4.543 1.107 -10.034 176 2HG2 THR 22 HG21 THR 22 2.825 1.041 -10.426 177 3HG2 THR 22 HG23 THR 22 3.914 2.035 -11.394 178 H GLU 23 HN GLU 23 5.484 5.324 -8.063 179 HA GLU 23 HA GLU 23 7.095 5.683 -10.334 180 1HB GLU 23 HB2 GLU 23 6.466 7.492 -8.763 181 2HB GLU 23 HB1 GLU 23 7.542 6.803 -7.550 182 1HG GLU 23 HG2 GLU 23 9.045 8.276 -8.451 183 2HG GLU 23 HG1 GLU 23 9.260 7.003 -9.650 184 H GLN 24 HN GLN 24 8.048 4.416 -7.130 185 HA GLN 24 HA GLN 24 10.478 3.277 -8.463 186 1HB GLN 24 HB2 GLN 24 10.538 5.180 -6.504 187 2HB GLN 24 HB1 GLN 24 10.607 3.706 -5.541 188 1HG GLN 24 HG2 GLN 24 12.518 2.904 -6.854 189 2HG GLN 24 HG1 GLN 24 12.435 4.337 -7.879 190 1HE2 GLN 24 HE22 GLN 24 13.489 5.045 -3.960 191 2HE2 GLN 24 HE21 GLN 24 12.235 3.952 -4.293 192 H LYS 25 HN LYS 25 8.666 1.571 -8.755 193 HA LYS 25 HA LYS 25 8.605 -0.207 -6.352 194 1HB LYS 25 HB2 LYS 25 6.506 0.723 -8.046 195 2HB LYS 25 HB1 LYS 25 6.678 -1.007 -8.325 196 1HG LYS 25 HG2 LYS 25 5.134 -0.697 -6.491 197 2HG LYS 25 HG1 LYS 25 6.637 -1.345 -5.834 198 1HD LYS 25 HD2 LYS 25 7.005 1.427 -5.809 199 2HD LYS 25 HD1 LYS 25 5.336 1.199 -5.282 200 1HE LYS 25 HE2 LYS 25 5.973 -0.153 -3.454 201 2HE LYS 25 HE1 LYS 25 7.575 -0.459 -4.126 202 1HZ LYS 25 HZ2 LYS 25 7.304 2.290 -3.890 203 2HZ LYS 25 HZ1 LYS 25 6.746 1.630 -2.427 204 3HZ LYS 25 HZ3 LYS 25 8.308 1.266 -2.978 205 H THR 26 HN THR 26 10.906 -0.429 -7.659 206 HA THR 26 HA THR 26 10.620 -3.007 -9.108 207 HB THR 26 HB THR 26 12.429 -0.801 -10.119 208 HG1 THR 26 HG1 THR 26 10.683 0.016 -10.914 209 1HG2 THR 26 HG22 THR 26 13.000 -3.175 -10.662 210 2HG2 THR 26 HG21 THR 26 11.416 -3.341 -11.422 211 3HG2 THR 26 HG23 THR 26 12.598 -2.217 -12.088 212 H LEU 27 HN LEU 27 12.996 -0.628 -7.876 213 HA LEU 27 HA LEU 27 14.977 -2.695 -7.369 214 1HB LEU 27 HB2 LEU 27 14.895 0.163 -7.380 215 2HB LEU 27 HB1 LEU 27 15.500 -0.357 -5.806 216 HG LEU 27 HG LEU 27 17.128 -1.857 -6.978 217 1HD1 LEU 27 HD12 LEU 27 15.759 -2.024 -9.083 218 2HD1 LEU 27 HD11 LEU 27 16.233 -0.368 -9.464 219 3HD1 LEU 27 HD13 LEU 27 17.455 -1.637 -9.370 220 1HD2 LEU 27 HD21 LEU 27 17.137 1.119 -7.505 221 2HD2 LEU 27 HD23 LEU 27 18.036 0.223 -6.281 222 3HD2 LEU 27 HD22 LEU 27 18.493 0.096 -7.981 223 H CYS 28 HN CYS 28 12.809 -0.754 -5.307 224 HA CYS 28 HA CYS 28 13.587 -2.138 -2.876 225 1HB CYS 28 HB2 CYS 28 11.213 -0.383 -3.558 226 2HB CYS 28 HB1 CYS 28 11.515 -1.031 -1.944 227 H THR 29 HN THR 29 11.266 -2.728 -5.419 228 HA THR 29 HA THR 29 9.623 -4.564 -3.892 229 HB THR 29 HB THR 29 8.718 -5.199 -6.128 230 HG1 THR 29 HG1 THR 29 10.413 -5.068 -7.471 231 1HG2 THR 29 HG22 THR 29 8.070 -3.077 -4.841 232 2HG2 THR 29 HG21 THR 29 9.102 -2.204 -5.969 233 3HG2 THR 29 HG23 THR 29 7.697 -3.089 -6.565 234 H GLU 30 HN GLU 30 12.761 -4.794 -5.270 235 HA GLU 30 HA GLU 30 12.859 -7.502 -6.093 236 1HB GLU 30 HB2 GLU 30 14.840 -5.510 -5.077 237 2HB GLU 30 HB1 GLU 30 15.327 -7.205 -5.077 238 1HG GLU 30 HG2 GLU 30 14.671 -7.351 -7.484 239 2HG GLU 30 HG1 GLU 30 14.322 -5.623 -7.460 240 H LEU 31 HN LEU 31 12.507 -6.171 -2.883 241 HA LEU 31 HA LEU 31 13.542 -8.498 -1.519 242 1HB LEU 31 HB2 LEU 31 11.761 -6.194 -0.663 243 2HB LEU 31 HB1 LEU 31 12.173 -7.513 0.429 244 HG LEU 31 HG LEU 31 13.709 -5.647 0.771 245 1HD1 LEU 31 HD11 LEU 31 14.421 -8.268 0.410 246 2HD1 LEU 31 HD13 LEU 31 15.532 -7.447 -0.686 247 3HD1 LEU 31 HD12 LEU 31 15.501 -7.016 1.024 248 1HD2 LEU 31 HD21 LEU 31 13.436 -4.867 -1.680 249 2HD2 LEU 31 HD23 LEU 31 15.023 -4.683 -0.936 250 3HD2 LEU 31 HD22 LEU 31 14.718 -6.018 -2.046 251 H THR 32 HN THR 32 10.454 -8.084 -0.229 252 HA THR 32 HA THR 32 8.862 -9.515 -2.117 253 HB THR 32 HB THR 32 8.978 -11.528 -0.158 254 HG1 THR 32 HG1 THR 32 10.980 -10.858 0.508 255 1HG2 THR 32 HG22 THR 32 10.140 -11.390 -2.955 256 2HG2 THR 32 HG21 THR 32 9.863 -12.876 -2.053 257 3HG2 THR 32 HG23 THR 32 8.499 -11.865 -2.529 258 H VAL 33 HN VAL 33 6.831 -10.429 -0.964 259 HA VAL 33 HA VAL 33 6.283 -9.312 1.690 260 HB VAL 33 HB VAL 33 4.286 -8.011 0.851 261 1HG1 VAL 33 HG12 VAL 33 6.574 -7.020 1.395 262 2HG1 VAL 33 HG11 VAL 33 6.873 -7.007 -0.342 263 3HG1 VAL 33 HG13 VAL 33 5.550 -6.056 0.331 264 1HG2 VAL 33 HG22 VAL 33 5.201 -9.181 -1.639 265 2HG2 VAL 33 HG21 VAL 33 3.694 -8.334 -1.298 266 3HG2 VAL 33 HG23 VAL 33 5.132 -7.424 -1.762 267 H THR 34 HN THR 34 3.494 -9.580 1.685 268 HA THR 34 HA THR 34 3.241 -12.494 1.106 269 HB THR 34 HB THR 34 2.468 -10.799 3.322 270 HG1 THR 34 HG1 THR 34 1.883 -13.180 3.924 271 1HG2 THR 34 HG23 THR 34 0.270 -12.464 2.053 272 2HG2 THR 34 HG22 THR 34 0.209 -11.791 3.680 273 3HG2 THR 34 HG21 THR 34 0.258 -10.714 2.287 274 H ASP 35 HN ASP 35 1.750 -13.203 -0.367 275 HA ASP 35 HA ASP 35 0.279 -11.244 -1.957 276 1HB ASP 35 HB2 ASP 35 1.128 -13.201 -3.098 277 2HB ASP 35 HB1 ASP 35 0.317 -14.277 -1.959 278 H ILE 36 HN ILE 36 -1.948 -10.825 -1.846 279 HA ILE 36 HA ILE 36 -3.482 -12.375 0.187 280 HB ILE 36 HB ILE 36 -4.289 -10.441 1.250 281 1HG1 ILE 36 HG12 ILE 36 -3.202 -8.881 -1.118 282 2HG1 ILE 36 HG11 ILE 36 -4.904 -9.148 -0.740 283 1HG2 ILE 36 HG21 ILE 36 -1.823 -10.934 1.596 284 2HG2 ILE 36 HG23 ILE 36 -1.487 -9.624 0.464 285 3HG2 ILE 36 HG22 ILE 36 -2.322 -9.287 1.981 286 1HD1 ILE 36 HD11 ILE 36 -3.855 -8.099 1.617 287 2HD1 ILE 36 HD13 ILE 36 -3.066 -7.164 0.347 288 3HD1 ILE 36 HD12 ILE 36 -4.826 -7.225 0.433 289 H PHE 37 HN PHE 37 -3.358 -11.924 -2.955 290 HA PHE 37 HA PHE 37 -6.294 -11.449 -3.261 291 1HB PHE 37 HB2 PHE 37 -4.085 -11.180 -5.324 292 2HB PHE 37 HB1 PHE 37 -5.794 -10.851 -5.600 293 HD1 PHE 37 HD2 PHE 37 -6.473 -9.499 -2.997 294 HD2 PHE 37 HD1 PHE 37 -3.104 -9.052 -5.626 295 HE1 PHE 37 HE2 PHE 37 -6.154 -7.178 -2.197 296 HE2 PHE 37 HE1 PHE 37 -2.787 -6.726 -4.824 297 HZ PHE 37 HZ PHE 37 -4.318 -5.791 -3.112 298 H ALA 38 HN ALA 38 -4.716 -14.010 -2.621 299 HA ALA 38 HA ALA 38 -5.584 -15.570 -5.017 300 1HB ALA 38 HB3 ALA 38 -3.190 -15.670 -3.330 301 2HB ALA 38 HB2 ALA 38 -3.945 -17.248 -3.555 302 3HB ALA 38 HB1 ALA 38 -3.444 -16.302 -4.956 303 H ALA 39 HN ALA 39 -5.445 -15.650 -1.449 304 HA ALA 39 HA ALA 39 -7.684 -17.635 -1.554 305 1HB ALA 39 HB1 ALA 39 -5.299 -17.385 0.211 306 2HB ALA 39 HB3 ALA 39 -6.799 -17.927 0.964 307 3HB ALA 39 HB2 ALA 39 -6.111 -18.832 -0.385 308 H SER 40 HN SER 40 -9.272 -15.937 -1.648 309 HA SER 40 HA SER 40 -9.886 -14.825 1.018 310 1HB SER 40 HB2 SER 40 -8.738 -13.232 -1.085 311 2HB SER 40 HB1 SER 40 -10.393 -12.703 -0.799 312 HG SER 40 HG SER 40 -8.287 -12.134 0.631 313 H LYS 41 HN LYS 41 -12.042 -15.122 1.354 314 HA LYS 41 HA LYS 41 -13.779 -15.390 -1.069 315 1HB LYS 41 HB2 LYS 41 -13.328 -17.187 1.119 316 2HB LYS 41 HB1 LYS 41 -15.007 -16.645 1.167 317 1HG LYS 41 HG2 LYS 41 -15.507 -17.548 -0.909 318 2HG LYS 41 HG1 LYS 41 -13.839 -17.436 -1.474 319 1HD LYS 41 HD2 LYS 41 -14.575 -19.283 0.789 320 2HD LYS 41 HD1 LYS 41 -14.774 -19.788 -0.888 321 1HE LYS 41 HE2 LYS 41 -12.211 -18.609 -0.732 322 2HE LYS 41 HE1 LYS 41 -12.355 -19.656 0.681 323 1HZ LYS 41 HZ1 LYS 41 -13.354 -21.284 -1.080 324 2HZ LYS 41 HZ3 LYS 41 -12.448 -20.349 -2.165 325 3HZ LYS 41 HZ2 LYS 41 -11.673 -21.148 -0.882 326 H ASP 42 HN ASP 42 -13.358 -13.807 2.015 327 HA ASP 42 HA ASP 42 -15.836 -12.265 1.450 328 1HB ASP 42 HB2 ASP 42 -16.105 -12.355 4.091 329 2HB ASP 42 HB1 ASP 42 -16.782 -13.624 3.070 330 H THR 43 HN THR 43 -13.208 -11.383 0.980 331 HA THR 43 HA THR 43 -12.598 -9.624 3.305 332 HB THR 43 HB THR 43 -10.562 -9.056 1.776 333 HG1 THR 43 HG1 THR 43 -11.053 -9.980 -0.106 334 1HG2 THR 43 HG22 THR 43 -10.531 -10.435 3.869 335 2HG2 THR 43 HG21 THR 43 -10.828 -11.864 2.878 336 3HG2 THR 43 HG23 THR 43 -9.336 -10.944 2.674 337 H THR 44 HN THR 44 -13.427 -7.601 3.242 338 HA THR 44 HA THR 44 -14.251 -6.489 0.605 339 HB THR 44 HB THR 44 -14.920 -4.933 3.003 340 HG1 THR 44 HG1 THR 44 -16.575 -6.579 3.516 341 1HG2 THR 44 HG22 THR 44 -16.458 -6.154 0.697 342 2HG2 THR 44 HG21 THR 44 -17.201 -5.149 1.942 343 3HG2 THR 44 HG23 THR 44 -15.968 -4.471 0.878 344 H GLU 45 HN GLU 45 -14.181 -3.741 1.392 345 HA GLU 45 HA GLU 45 -11.358 -3.207 0.941 346 1HB GLU 45 HB2 GLU 45 -12.016 -0.841 1.006 347 2HB GLU 45 HB1 GLU 45 -13.142 -1.755 0.003 348 1HG GLU 45 HG2 GLU 45 -14.737 -1.885 1.852 349 2HG GLU 45 HG1 GLU 45 -13.603 -1.054 2.916 350 H LYS 46 HN LYS 46 -13.513 -3.256 3.707 351 HA LYS 46 HA LYS 46 -11.847 -1.791 5.529 352 1HB LYS 46 HB2 LYS 46 -14.081 -2.097 6.227 353 2HB LYS 46 HB1 LYS 46 -14.056 -3.818 5.851 354 1HG LYS 46 HG2 LYS 46 -12.583 -4.269 7.729 355 2HG LYS 46 HG1 LYS 46 -12.397 -2.543 8.047 356 1HD LYS 46 HD2 LYS 46 -14.468 -2.362 9.021 357 2HD LYS 46 HD1 LYS 46 -15.181 -3.591 7.974 358 1HE LYS 46 HE2 LYS 46 -13.363 -5.073 9.398 359 2HE LYS 46 HE1 LYS 46 -13.875 -3.890 10.602 360 1HZ LYS 46 HZ2 LYS 46 -16.224 -4.479 9.741 361 2HZ LYS 46 HZ1 LYS 46 -15.483 -5.896 9.169 362 3HZ LYS 46 HZ3 LYS 46 -15.449 -5.532 10.826 363 H GLU 47 HN GLU 47 -12.310 -5.327 5.156 364 HA GLU 47 HA GLU 47 -10.192 -6.012 6.961 365 1HB GLU 47 HB2 GLU 47 -11.771 -7.471 4.878 366 2HB GLU 47 HB1 GLU 47 -10.326 -8.236 5.540 367 1HG GLU 47 HG2 GLU 47 -11.221 -8.422 7.659 368 2HG GLU 47 HG1 GLU 47 -12.243 -6.997 7.466 369 H THR 48 HN THR 48 -10.238 -6.064 3.372 370 HA THR 48 HA THR 48 -7.527 -6.797 3.033 371 HB THR 48 HB THR 48 -9.234 -5.026 1.263 372 HG1 THR 48 HG1 THR 48 -9.499 -7.049 0.161 373 1HG2 THR 48 HG22 THR 48 -6.475 -6.002 1.076 374 2HG2 THR 48 HG21 THR 48 -7.460 -6.416 -0.328 375 3HG2 THR 48 HG23 THR 48 -7.281 -4.730 0.160 376 H PHE 49 HN PHE 49 -8.888 -3.711 3.960 377 HA PHE 49 HA PHE 49 -6.465 -2.231 3.242 378 1HB PHE 49 HB2 PHE 49 -9.050 -1.553 4.597 379 2HB PHE 49 HB1 PHE 49 -7.675 -0.475 4.802 380 HD1 PHE 49 HD1 PHE 49 -8.492 -2.530 1.796 381 HD2 PHE 49 HD2 PHE 49 -8.319 1.410 3.501 382 HE1 PHE 49 HE1 PHE 49 -8.913 -1.546 -0.434 383 HE2 PHE 49 HE2 PHE 49 -8.743 2.392 1.264 384 HZ PHE 49 HZ PHE 49 -9.045 0.912 -0.704 385 H CYS 50 HN CYS 50 -7.747 -3.823 6.117 386 HA CYS 50 HA CYS 50 -5.764 -2.572 7.861 387 1HB CYS 50 HB2 CYS 50 -6.949 -3.490 9.567 388 2HB CYS 50 HB1 CYS 50 -8.159 -3.809 8.326 389 NH1 ARG 51 NH2 ARG 51 -7.287 -11.783 4.888 390 NH2 ARG 51 NH1 ARG 51 -9.057 -11.068 6.096 391 H ARG 51 HN ARG 51 -5.967 -5.547 5.990 392 HA ARG 51 HA ARG 51 -3.609 -6.711 7.284 393 1HB ARG 51 HB2 ARG 51 -5.451 -7.487 5.058 394 2HB ARG 51 HB1 ARG 51 -3.837 -8.200 5.075 395 1HG ARG 51 HG2 ARG 51 -4.200 -8.945 7.407 396 2HG ARG 51 HG1 ARG 51 -5.822 -8.258 7.365 397 1HD ARG 51 HD2 ARG 51 -5.432 -9.962 5.072 398 2HD ARG 51 HD1 ARG 51 -5.043 -10.848 6.547 399 HE ARG 51 HE ARG 51 -7.430 -9.555 7.134 400 1HH1 ARG 51 HH21 ARG 51 -6.317 -11.744 4.655 401 2HH1 ARG 51 HH22 ARG 51 -7.885 -12.431 4.418 402 1HH2 ARG 51 HH11 ARG 51 -9.447 -10.473 6.798 403 2HH2 ARG 51 HH12 ARG 51 -9.640 -11.722 5.614 404 H ALA 52 HN ALA 52 -4.368 -5.201 4.150 405 HA ALA 52 HA ALA 52 -1.658 -5.290 3.179 406 1HB ALA 52 HB1 ALA 52 -4.030 -4.725 2.015 407 2HB ALA 52 HB3 ALA 52 -3.437 -3.085 2.282 408 3HB ALA 52 HB2 ALA 52 -2.487 -4.223 1.328 409 H ALA 53 HN ALA 53 -3.409 -3.148 5.324 410 HA ALA 53 HA ALA 53 -1.607 -0.899 5.113 411 1HB ALA 53 HB3 ALA 53 -3.673 -1.775 7.124 412 2HB ALA 53 HB2 ALA 53 -2.621 -0.401 7.461 413 3HB ALA 53 HB1 ALA 53 -3.692 -0.367 6.063 414 H THR 54 HN THR 54 -1.902 -3.593 7.447 415 HA THR 54 HA THR 54 0.301 -2.864 9.088 416 HB THR 54 HB THR 54 -1.049 -5.473 8.437 417 HG1 THR 54 HG1 THR 54 -1.639 -5.284 10.562 418 1HG2 THR 54 HG23 THR 54 1.563 -5.066 9.881 419 2HG2 THR 54 HG22 THR 54 0.487 -6.391 10.324 420 3HG2 THR 54 HG21 THR 54 1.141 -6.296 8.689 421 H VAL 55 HN VAL 55 0.146 -4.659 6.044 422 HA VAL 55 HA VAL 55 2.922 -5.423 6.006 423 HB VAL 55 HB VAL 55 1.075 -4.945 3.644 424 1HG1 VAL 55 HG13 VAL 55 3.621 -6.539 4.047 425 2HG1 VAL 55 HG12 VAL 55 2.558 -6.759 2.658 426 3HG1 VAL 55 HG11 VAL 55 3.356 -5.208 2.921 427 1HG2 VAL 55 HG21 VAL 55 0.883 -6.831 5.788 428 2HG2 VAL 55 HG23 VAL 55 -0.107 -6.735 4.331 429 3HG2 VAL 55 HG22 VAL 55 1.366 -7.706 4.334 430 H LEU 56 HN LEU 56 1.153 -2.549 4.988 431 HA LEU 56 HA LEU 56 3.366 -1.342 3.566 432 1HB LEU 56 HB2 LEU 56 0.636 -0.598 4.337 433 2HB LEU 56 HB1 LEU 56 1.765 0.756 4.413 434 HG LEU 56 HG LEU 56 2.557 0.072 2.093 435 1HD1 LEU 56 HD12 LEU 56 1.171 -2.216 2.561 436 2HD1 LEU 56 HD11 LEU 56 -0.037 -1.300 1.657 437 3HD1 LEU 56 HD13 LEU 56 1.542 -1.624 0.941 438 1HD2 LEU 56 HD22 LEU 56 -0.077 1.238 2.831 439 2HD2 LEU 56 HD21 LEU 56 1.241 1.941 1.894 440 3HD2 LEU 56 HD23 LEU 56 0.131 0.801 1.135 441 NH1 ARG 57 NH2 ARG 57 1.663 -0.131 14.031 442 NH2 ARG 57 NH1 ARG 57 2.498 -2.230 14.033 443 H ARG 57 HN ARG 57 2.462 -1.577 6.927 444 HA ARG 57 HA ARG 57 4.081 0.684 7.796 445 1HB ARG 57 HB2 ARG 57 2.082 -0.513 9.023 446 2HB ARG 57 HB1 ARG 57 3.338 -1.613 9.590 447 1HG ARG 57 HG2 ARG 57 4.563 0.182 10.617 448 2HG ARG 57 HG1 ARG 57 3.539 1.395 9.848 449 1HD ARG 57 HD2 ARG 57 2.794 1.180 12.127 450 2HD ARG 57 HD1 ARG 57 1.581 0.405 11.109 451 HE ARG 57 HE ARG 57 3.278 -1.668 11.779 452 1HH1 ARG 57 HH21 ARG 57 1.512 0.748 13.583 453 2HH1 ARG 57 HH22 ARG 57 1.313 -0.280 14.957 454 1HH2 ARG 57 HH11 ARG 57 2.995 -2.969 13.577 455 2HH2 ARG 57 HH12 ARG 57 2.142 -2.364 14.958 456 H GLN 58 HN GLN 58 4.494 -2.803 7.428 457 HA GLN 58 HA GLN 58 7.124 -2.858 8.677 458 1HB GLN 58 HB2 GLN 58 5.385 -4.771 7.192 459 2HB GLN 58 HB1 GLN 58 7.117 -5.104 7.197 460 1HG GLN 58 HG2 GLN 58 6.789 -4.537 9.810 461 2HG GLN 58 HG1 GLN 58 5.173 -5.147 9.452 462 1HE2 GLN 58 HE22 GLN 58 8.321 -7.735 8.827 463 2HE2 GLN 58 HE21 GLN 58 8.546 -6.079 8.526 464 H PHE 59 HN PHE 59 5.891 -2.186 5.474 465 HA PHE 59 HA PHE 59 8.530 -2.516 4.214 466 1HB PHE 59 HB2 PHE 59 6.738 -3.107 2.786 467 2HB PHE 59 HB1 PHE 59 5.799 -1.682 3.231 468 HD1 PHE 59 HD1 PHE 59 9.360 -2.135 2.129 469 HD2 PHE 59 HD2 PHE 59 5.556 -0.298 1.362 470 HE1 PHE 59 HE1 PHE 59 10.346 -0.893 0.224 471 HE2 PHE 59 HE2 PHE 59 6.540 0.944 -0.540 472 HZ PHE 59 HZ PHE 59 8.935 0.649 -1.110 473 OH TYR 60 OH TYR 60 7.190 5.502 10.446 474 H TYR 60 HN TYR 60 6.608 0.050 5.627 475 HA TYR 60 HA TYR 60 8.301 2.139 4.399 476 1HB TYR 60 HB2 TYR 60 6.454 3.383 4.730 477 2HB TYR 60 HB1 TYR 60 5.690 2.049 5.599 478 HD1 TYR 60 HD1 TYR 60 7.759 5.093 5.941 479 HD2 TYR 60 HD2 TYR 60 5.733 1.926 8.020 480 HE1 TYR 60 HE1 TYR 60 8.032 6.322 8.079 481 HE2 TYR 60 HE2 TYR 60 6.006 3.156 10.158 482 HH TYR 60 HH TYR 60 6.700 5.031 11.124 483 H SER 61 HN SER 61 8.155 0.302 7.357 484 HA SER 61 HA SER 61 9.854 2.263 8.768 485 1HB SER 61 HB2 SER 61 8.113 1.140 10.063 486 2HB SER 61 HB1 SER 61 8.766 -0.435 9.622 487 HG SER 61 HG SER 61 9.393 0.703 11.730 488 H HIS 62 HN HIS 62 10.195 -0.703 6.957 489 HA HIS 62 HA HIS 62 12.894 -1.200 8.033 490 1HB HIS 62 HB2 HIS 62 10.912 -2.691 6.467 491 2HB HIS 62 HB1 HIS 62 12.568 -2.920 5.905 492 HD1 HIS 62 HD1 HIS 62 13.904 -4.599 7.169 493 HD2 HIS 62 HD2 HIS 62 10.735 -3.135 9.448 494 HE1 HIS 62 HE1 HIS 62 13.932 -5.890 9.347 495 H HIS 63 HN HIS 63 11.662 -0.911 4.666 496 HA HIS 63 HA HIS 63 14.349 -0.042 3.827 497 1HB HIS 63 HB2 HIS 63 11.816 -0.552 2.247 498 2HB HIS 63 HB1 HIS 63 13.378 -0.146 1.536 499 HD1 HIS 63 HD1 HIS 63 15.255 -1.940 1.655 500 HD2 HIS 63 HD2 HIS 63 11.632 -3.194 3.287 501 HE1 HIS 63 HE1 HIS 63 15.445 -4.444 1.976 502 H GLU 64 HN GLU 64 13.308 1.937 5.462 503 HA GLU 64 HA GLU 64 12.111 3.970 3.690 504 1HB GLU 64 HB2 GLU 64 11.685 5.240 5.610 505 2HB GLU 64 HB1 GLU 64 11.509 3.583 6.173 506 1HG GLU 64 HG2 GLU 64 13.935 3.659 6.890 507 2HG GLU 64 HG1 GLU 64 13.904 5.390 6.546 508 H LYS 65 HN LYS 65 15.221 3.126 5.047 509 HA LYS 65 HA LYS 65 16.455 5.237 3.401 510 1HB LYS 65 HB2 LYS 65 15.946 5.770 6.081 511 2HB LYS 65 HB1 LYS 65 17.628 5.236 6.080 512 1HG LYS 65 HG2 LYS 65 17.828 6.839 4.000 513 2HG LYS 65 HG1 LYS 65 16.389 7.589 4.692 514 1HD LYS 65 HD2 LYS 65 18.858 7.033 6.344 515 2HD LYS 65 HD1 LYS 65 18.643 8.543 5.456 516 1HE LYS 65 HE2 LYS 65 16.867 9.234 6.781 517 2HE LYS 65 HE1 LYS 65 16.417 7.585 7.216 518 1HZ LYS 65 HZ1 LYS 65 18.640 7.531 8.418 519 2HZ LYS 65 HZ3 LYS 65 18.645 9.221 8.261 520 3HZ LYS 65 HZ2 LYS 65 17.398 8.452 9.123 521 H ASP 66 HN ASP 66 16.490 2.364 3.235 522 HA ASP 66 HA ASP 66 19.115 1.538 4.306 523 1HB ASP 66 HB2 ASP 66 16.933 0.077 4.045 524 2HB ASP 66 HB1 ASP 66 17.514 -0.127 2.391 525 H THR 67 HN THR 67 20.896 1.000 2.966 526 HA THR 67 HA THR 67 21.191 2.627 0.604 527 HB THR 67 HB THR 67 23.388 1.522 0.394 528 HG1 THR 67 HG1 THR 67 23.871 -0.097 1.974 529 1HG2 THR 67 HG22 THR 67 22.392 2.917 2.699 530 2HG2 THR 67 HG21 THR 67 23.621 1.761 3.212 531 3HG2 THR 67 HG23 THR 67 24.006 2.975 1.992 532 NH1 ARG 68 NH2 ARG 68 20.649 -6.345 -2.186 533 NH2 ARG 68 NH1 ARG 68 19.087 -7.910 -1.733 534 H ARG 68 HN ARG 68 20.151 -0.667 1.144 535 HA ARG 68 HA ARG 68 20.668 -1.727 -1.456 536 1HB ARG 68 HB2 ARG 68 19.581 -2.710 0.872 537 2HB ARG 68 HB1 ARG 68 18.172 -2.638 -0.189 538 1HG ARG 68 HG2 ARG 68 20.708 -3.750 -1.311 539 2HG ARG 68 HG1 ARG 68 19.792 -4.756 -0.190 540 1HD ARG 68 HD2 ARG 68 17.829 -3.753 -1.849 541 2HD ARG 68 HD1 ARG 68 19.172 -3.998 -2.961 542 HE ARG 68 HE ARG 68 17.514 -6.045 -1.889 543 1HH1 ARG 68 HH21 ARG 68 20.902 -5.408 -2.409 544 2HH1 ARG 68 HH22 ARG 68 21.353 -7.054 -2.149 545 1HH2 ARG 68 HH11 ARG 68 18.130 -8.170 -1.597 546 2HH2 ARG 68 HH12 ARG 68 19.802 -8.608 -1.712 547 H CYS 69 HN CYS 69 17.973 0.183 -0.175 548 HA CYS 69 HA CYS 69 16.442 -0.045 -2.659 549 1HB CYS 69 HB2 CYS 69 16.062 1.138 0.012 550 2HB CYS 69 HB1 CYS 69 15.333 2.065 -1.300 551 H LEU 70 HN LEU 70 18.881 2.101 -1.388 552 HA LEU 70 HA LEU 70 18.325 4.484 -2.775 553 1HB LEU 70 HB2 LEU 70 20.709 3.207 -1.621 554 2HB LEU 70 HB1 LEU 70 21.069 4.295 -2.961 555 HG LEU 70 HG LEU 70 21.004 5.382 -0.660 556 1HD1 LEU 70 HD13 LEU 70 19.303 6.258 -2.985 557 2HD1 LEU 70 HD12 LEU 70 19.415 7.254 -1.534 558 3HD1 LEU 70 HD11 LEU 70 20.867 6.883 -2.463 559 1HD2 LEU 70 HD21 LEU 70 18.794 3.946 -0.228 560 2HD2 LEU 70 HD23 LEU 70 19.029 5.518 0.537 561 3HD2 LEU 70 HD22 LEU 70 18.025 5.380 -0.906 562 H GLY 71 HN GLY 71 20.946 2.387 -3.963 563 1HA GLY 71 HA2 GLY 71 20.415 1.324 -6.276 564 2HA GLY 71 HA1 GLY 71 19.988 2.974 -6.728 565 H ALA 72 HN ALA 72 21.642 4.456 -7.150 566 HA ALA 72 HA ALA 72 24.377 4.091 -6.379 567 1HB ALA 72 HB2 ALA 72 23.505 2.917 -8.992 568 2HB ALA 72 HB1 ALA 72 25.076 3.714 -8.916 569 3HB ALA 72 HB3 ALA 72 24.731 2.345 -7.861 570 H THR 73 HN THR 73 22.676 6.289 -6.337 571 HA THR 73 HA THR 73 24.228 8.205 -7.887 572 HB THR 73 HB THR 73 21.457 8.737 -8.538 573 HG1 THR 73 HG1 THR 73 20.872 6.903 -9.367 574 1HG2 THR 73 HG23 THR 73 23.831 9.406 -9.557 575 2HG2 THR 73 HG22 THR 73 23.517 7.995 -10.568 576 3HG2 THR 73 HG21 THR 73 22.382 9.344 -10.562 577 H ALA 74 HN ALA 74 23.831 10.386 -7.173 578 HA ALA 74 HA ALA 74 22.892 10.566 -4.436 579 1HB ALA 74 HB3 ALA 74 24.711 11.979 -5.722 580 2HB ALA 74 HB2 ALA 74 23.329 12.984 -6.160 581 3HB ALA 74 HB1 ALA 74 23.738 12.738 -4.462 582 H GLN 75 HN GLN 75 21.448 11.146 -7.577 583 HA GLN 75 HA GLN 75 19.286 12.815 -6.656 584 1HB GLN 75 HB2 GLN 75 19.848 11.187 -9.102 585 2HB GLN 75 HB1 GLN 75 18.182 11.687 -8.805 586 1HG GLN 75 HG2 GLN 75 19.885 13.927 -8.291 587 2HG GLN 75 HG1 GLN 75 20.322 13.252 -9.862 588 1HE2 GLN 75 HE22 GLN 75 17.442 14.516 -11.429 589 2HE2 GLN 75 HE21 GLN 75 19.002 13.867 -11.584 590 H GLN 76 HN GLN 76 19.782 9.325 -6.830 591 HA GLN 76 HA GLN 76 17.119 8.462 -6.420 592 1HB GLN 76 HB2 GLN 76 19.743 7.281 -5.472 593 2HB GLN 76 HB1 GLN 76 18.191 6.458 -5.302 594 1HG GLN 76 HG2 GLN 76 18.915 7.533 -7.996 595 2HG GLN 76 HG1 GLN 76 19.726 6.067 -7.445 596 1HE2 GLN 76 HE22 GLN 76 16.947 4.206 -8.555 597 2HE2 GLN 76 HE21 GLN 76 18.629 4.432 -8.597 598 H PHE 77 HN PHE 77 19.432 9.869 -4.188 599 HA PHE 77 HA PHE 77 18.247 9.107 -1.726 600 1HB PHE 77 HB2 PHE 77 19.912 11.424 -2.636 601 2HB PHE 77 HB1 PHE 77 19.155 11.505 -1.047 602 HD1 PHE 77 HD1 PHE 77 21.610 9.732 -3.144 603 HD2 PHE 77 HD2 PHE 77 19.779 9.962 0.735 604 HE1 PHE 77 HE1 PHE 77 23.377 8.255 -2.222 605 HE2 PHE 77 HE2 PHE 77 21.544 8.483 1.657 606 HZ PHE 77 HZ PHE 77 23.343 7.630 0.177 607 H HIS 78 HN HIS 78 17.602 11.987 -3.754 608 HA HIS 78 HA HIS 78 15.519 13.030 -2.086 609 1HB HIS 78 HB2 HIS 78 16.405 14.545 -3.667 610 2HB HIS 78 HB1 HIS 78 16.250 13.391 -4.990 611 HD1 HIS 78 HD1 HIS 78 13.770 12.902 -5.845 612 HD2 HIS 78 HD2 HIS 78 14.136 16.121 -3.220 613 HE1 HIS 78 HE1 HIS 78 11.624 14.237 -6.042 614 NH1 ARG 79 NH2 ARG 79 12.416 11.364 -9.597 615 NH2 ARG 79 NH1 ARG 79 14.345 11.897 -10.634 616 H ARG 79 HN ARG 79 15.478 10.807 -4.847 617 HA ARG 79 HA ARG 79 12.613 10.604 -5.014 618 1HB ARG 79 HB2 ARG 79 14.944 9.298 -6.206 619 2HB ARG 79 HB1 ARG 79 13.603 8.183 -5.940 620 1HG ARG 79 HG2 ARG 79 12.081 9.723 -7.121 621 2HG ARG 79 HG1 ARG 79 13.419 10.841 -7.390 622 1HD ARG 79 HD2 ARG 79 14.253 8.260 -8.260 623 2HD ARG 79 HD1 ARG 79 12.665 8.561 -8.957 624 HE ARG 79 HE ARG 79 15.112 9.725 -9.827 625 1HH1 ARG 79 HH21 ARG 79 11.851 10.724 -9.081 626 2HH1 ARG 79 HH22 ARG 79 12.028 12.235 -9.895 627 1HH2 ARG 79 HH11 ARG 79 15.278 11.664 -10.909 628 2HH2 ARG 79 HH12 ARG 79 13.936 12.758 -10.935 629 H HIS 80 HN HIS 80 14.880 9.302 -2.753 630 HA HIS 80 HA HIS 80 13.208 7.013 -2.018 631 1HB HIS 80 HB2 HIS 80 15.773 7.177 -1.818 632 2HB HIS 80 HB1 HIS 80 15.475 8.162 -0.388 633 HD1 HIS 80 HD1 HIS 80 12.790 5.795 -0.538 634 HD2 HIS 80 HD2 HIS 80 16.763 5.601 0.705 635 HE1 HIS 80 HE1 HIS 80 12.985 3.738 0.923 636 H LYS 81 HN LYS 81 14.008 10.200 -0.616 637 HA LYS 81 HA LYS 81 12.471 9.868 1.773 638 1HB LYS 81 HB2 LYS 81 14.012 11.666 1.762 639 2HB LYS 81 HB1 LYS 81 13.391 12.299 0.238 640 1HG LYS 81 HG2 LYS 81 11.651 13.384 1.246 641 2HG LYS 81 HG1 LYS 81 11.402 12.098 2.425 642 1HD LYS 81 HD2 LYS 81 13.932 13.208 3.012 643 2HD LYS 81 HD1 LYS 81 12.846 14.574 2.738 644 1HE LYS 81 HE2 LYS 81 11.231 13.620 4.336 645 2HE LYS 81 HE1 LYS 81 12.302 12.245 4.606 646 1HZ LYS 81 HZ2 LYS 81 13.965 14.276 5.041 647 2HZ LYS 81 HZ1 LYS 81 12.506 14.971 5.569 648 3HZ LYS 81 HZ3 LYS 81 13.057 13.528 6.268 649 H GLN 82 HN GLN 82 11.550 10.783 -1.496 650 HA GLN 82 HA GLN 82 8.936 11.793 -0.733 651 1HB GLN 82 HB2 GLN 82 9.999 12.471 -2.848 652 2HB GLN 82 HB1 GLN 82 9.938 10.803 -3.420 653 1HG GLN 82 HG2 GLN 82 7.457 10.846 -3.189 654 2HG GLN 82 HG1 GLN 82 7.553 12.542 -2.718 655 1HE2 GLN 82 HE22 GLN 82 7.745 13.658 -6.047 656 2HE2 GLN 82 HE21 GLN 82 7.475 14.036 -4.415 657 H LEU 83 HN LEU 83 10.248 8.628 -1.456 658 HA LEU 83 HA LEU 83 7.652 7.382 -1.904 659 1HB LEU 83 HB2 LEU 83 9.735 6.430 -2.838 660 2HB LEU 83 HB1 LEU 83 10.329 6.141 -1.204 661 HG LEU 83 HG LEU 83 7.810 4.966 -1.176 662 1HD1 LEU 83 HD13 LEU 83 8.492 5.285 -3.877 663 2HD1 LEU 83 HD12 LEU 83 8.874 3.604 -3.505 664 3HD1 LEU 83 HD11 LEU 83 7.247 4.223 -3.221 665 1HD2 LEU 83 HD21 LEU 83 10.633 4.143 -1.194 666 2HD2 LEU 83 HD23 LEU 83 9.309 3.586 -0.170 667 3HD2 LEU 83 HD22 LEU 83 9.536 2.891 -1.775 668 H ILE 84 HN ILE 84 9.829 7.800 0.855 669 HA ILE 84 HA ILE 84 8.354 6.038 2.609 670 HB ILE 84 HB ILE 84 10.471 8.132 2.960 671 1HG1 ILE 84 HG12 ILE 84 11.794 6.300 3.636 672 2HG1 ILE 84 HG11 ILE 84 10.389 5.333 4.084 673 1HG2 ILE 84 HG22 ILE 84 8.733 6.919 5.117 674 2HG2 ILE 84 HG21 ILE 84 10.346 7.549 5.453 675 3HG2 ILE 84 HG23 ILE 84 9.089 8.624 4.841 676 1HD1 ILE 84 HD12 ILE 84 10.999 6.146 1.231 677 2HD1 ILE 84 HD11 ILE 84 11.524 4.618 1.933 678 3HD1 ILE 84 HD13 ILE 84 9.805 4.969 1.778 679 NH1 ARG 85 NH2 ARG 85 8.962 16.119 3.684 680 NH2 ARG 85 NH1 ARG 85 7.048 17.232 4.137 681 H ARG 85 HN ARG 85 8.234 9.505 1.927 682 HA ARG 85 HA ARG 85 6.408 10.176 4.049 683 1HB ARG 85 HB2 ARG 85 7.761 11.566 2.022 684 2HB ARG 85 HB1 ARG 85 6.050 11.795 1.657 685 1HG ARG 85 HG2 ARG 85 5.638 12.942 3.617 686 2HG ARG 85 HG1 ARG 85 6.906 12.095 4.502 687 1HD ARG 85 HD2 ARG 85 8.499 13.600 3.911 688 2HD ARG 85 HD1 ARG 85 7.888 13.745 2.263 689 HE ARG 85 HE ARG 85 5.978 15.050 3.777 690 1HH1 ARG 85 HH21 ARG 85 9.449 15.280 3.447 691 2HH1 ARG 85 HH22 ARG 85 9.475 16.968 3.815 692 1HH2 ARG 85 HH11 ARG 85 6.055 17.246 4.248 693 2HH2 ARG 85 HH12 ARG 85 7.576 18.072 4.264 694 H PHE 86 HN PHE 86 5.833 9.680 0.565 695 HA PHE 86 HA PHE 86 3.037 9.831 0.557 696 1HB PHE 86 HB2 PHE 86 5.107 8.677 -1.163 697 2HB PHE 86 HB1 PHE 86 3.593 7.781 -1.243 698 HD1 PHE 86 HD2 PHE 86 1.555 9.853 -0.879 699 HD2 PHE 86 HD1 PHE 86 5.233 9.989 -3.089 700 HE1 PHE 86 HE2 PHE 86 0.595 11.591 -2.363 701 HE2 PHE 86 HE1 PHE 86 4.277 11.728 -4.572 702 HZ PHE 86 HZ PHE 86 1.960 12.534 -4.211 703 H LEU 87 HN LEU 87 5.062 6.967 1.201 704 HA LEU 87 HA LEU 87 2.870 5.154 1.524 705 1HB LEU 87 HB2 LEU 87 5.497 4.777 1.325 706 2HB LEU 87 HB1 LEU 87 5.381 4.755 3.086 707 HG LEU 87 HG LEU 87 3.427 3.153 1.469 708 1HD1 LEU 87 HD12 LEU 87 6.121 2.830 1.048 709 2HD1 LEU 87 HD11 LEU 87 5.830 1.712 2.381 710 3HD1 LEU 87 HD13 LEU 87 4.921 1.549 0.880 711 1HD2 LEU 87 HD21 LEU 87 4.098 3.546 4.222 712 2HD2 LEU 87 HD23 LEU 87 2.849 2.500 3.545 713 3HD2 LEU 87 HD22 LEU 87 4.477 1.874 3.805 714 H LYS 88 HN LYS 88 4.515 7.309 3.801 715 HA LYS 88 HA LYS 88 3.452 6.253 6.210 716 1HB LYS 88 HB2 LYS 88 4.602 8.830 5.331 717 2HB LYS 88 HB1 LYS 88 3.501 8.947 6.703 718 1HG LYS 88 HG2 LYS 88 4.937 6.775 7.451 719 2HG LYS 88 HG1 LYS 88 6.160 7.642 6.519 720 1HD LYS 88 HD2 LYS 88 6.414 8.538 8.678 721 2HD LYS 88 HD1 LYS 88 5.388 9.726 7.873 722 1HE LYS 88 HE2 LYS 88 3.737 9.372 9.362 723 2HE LYS 88 HE1 LYS 88 3.741 7.646 8.998 724 1HZ LYS 88 HZ1 LYS 88 5.929 7.799 10.462 725 2HZ LYS 88 HZ3 LYS 88 5.078 9.097 11.143 726 3HZ LYS 88 HZ2 LYS 88 4.394 7.541 11.142 727 NH1 ARG 89 NH2 ARG 89 -2.586 13.048 0.938 728 NH2 ARG 89 NH1 ARG 89 -0.711 14.150 0.326 729 H ARG 89 HN ARG 89 2.075 8.431 3.801 730 HA ARG 89 HA ARG 89 -0.308 9.055 5.325 731 1HB ARG 89 HB2 ARG 89 0.707 9.519 2.592 732 2HB ARG 89 HB1 ARG 89 -1.046 9.378 2.705 733 1HG ARG 89 HG2 ARG 89 -0.471 10.986 4.862 734 2HG ARG 89 HG1 ARG 89 0.732 11.508 3.682 735 1HD ARG 89 HD2 ARG 89 -1.927 11.129 2.508 736 2HD ARG 89 HD1 ARG 89 -1.894 12.370 3.761 737 HE ARG 89 HE ARG 89 0.310 12.973 2.223 738 1HH1 ARG 89 HH21 ARG 89 -3.068 12.412 1.536 739 2HH1 ARG 89 HH22 ARG 89 -3.074 13.485 0.183 740 1HH2 ARG 89 HH11 ARG 89 0.258 14.359 0.461 741 2HH2 ARG 89 HH12 ARG 89 -1.216 14.578 -0.422 742 H LEU 90 HN LEU 90 0.440 6.696 2.774 743 HA LEU 90 HA LEU 90 -2.200 5.618 2.565 744 1HB LEU 90 HB2 LEU 90 0.396 5.098 1.461 745 2HB LEU 90 HB1 LEU 90 -0.304 3.573 1.996 746 HG LEU 90 HG LEU 90 -0.920 4.067 -0.337 747 1HD1 LEU 90 HD12 LEU 90 -3.069 4.075 1.773 748 2HD1 LEU 90 HD11 LEU 90 -3.489 4.105 0.063 749 3HD1 LEU 90 HD13 LEU 90 -2.557 2.760 0.720 750 1HD2 LEU 90 HD23 LEU 90 -1.508 6.689 0.848 751 2HD2 LEU 90 HD22 LEU 90 -1.153 6.258 -0.821 752 3HD2 LEU 90 HD21 LEU 90 -2.795 6.091 -0.200 753 H ASP 91 HN ASP 91 0.240 5.159 4.994 754 HA ASP 91 HA ASP 91 -0.663 2.517 5.800 755 1HB ASP 91 HB2 ASP 91 1.631 3.330 6.262 756 2HB ASP 91 HB1 ASP 91 0.968 4.547 7.348 757 NH1 ARG 92 NH2 ARG 92 -1.855 5.353 13.782 758 NH2 ARG 92 NH1 ARG 92 -1.552 3.119 13.634 759 H ARG 92 HN ARG 92 -0.710 5.506 7.760 760 HA ARG 92 HA ARG 92 -2.739 4.547 9.512 761 1HB ARG 92 HB2 ARG 92 -1.201 6.947 9.168 762 2HB ARG 92 HB1 ARG 92 -2.890 7.379 9.433 763 1HG ARG 92 HG2 ARG 92 -2.173 7.177 11.629 764 2HG ARG 92 HG1 ARG 92 -2.717 5.528 11.329 765 1HD ARG 92 HD2 ARG 92 -0.080 5.599 10.390 766 2HD ARG 92 HD1 ARG 92 -0.038 6.504 11.900 767 HE ARG 92 HE ARG 92 -0.226 3.671 11.657 768 1HH1 ARG 92 HH21 ARG 92 -1.678 6.278 13.457 769 2HH1 ARG 92 HH22 ARG 92 -2.402 5.215 14.607 770 1HH2 ARG 92 HH11 ARG 92 -1.144 2.325 13.182 771 2HH2 ARG 92 HH12 ARG 92 -2.093 2.997 14.466 772 H ASN 93 HN ASN 93 -2.985 6.069 6.365 773 HA ASN 93 HA ASN 93 -5.807 6.768 6.759 774 1HB ASN 93 HB2 ASN 93 -4.060 6.778 4.283 775 2HB ASN 93 HB1 ASN 93 -5.727 7.355 4.331 776 1HD2 ASN 93 HD22 ASN 93 -4.166 10.500 5.017 777 2HD2 ASN 93 HD21 ASN 93 -4.850 9.553 3.787 778 H LEU 94 HN LEU 94 -4.006 4.055 5.425 779 HA LEU 94 HA LEU 94 -6.123 2.922 3.874 780 1HB LEU 94 HB2 LEU 94 -3.554 2.005 4.970 781 2HB LEU 94 HB1 LEU 94 -4.764 0.731 4.826 782 HG LEU 94 HG LEU 94 -4.174 2.646 2.569 783 1HD1 LEU 94 HD13 LEU 94 -2.878 0.011 3.282 784 2HD1 LEU 94 HD12 LEU 94 -2.888 0.633 1.633 785 3HD1 LEU 94 HD11 LEU 94 -2.090 1.545 2.913 786 1HD2 LEU 94 HD23 LEU 94 -5.854 0.239 3.024 787 2HD2 LEU 94 HD22 LEU 94 -6.125 1.612 1.951 788 3HD2 LEU 94 HD21 LEU 94 -5.022 0.322 1.471 789 CH2 TRP 95 CH2 TRP 95 -5.917 1.349 14.157 790 H TRP 95 HN TRP 95 -5.028 1.805 7.100 791 HA TRP 95 HA TRP 95 -7.647 0.534 7.519 792 1HB TRP 95 HB2 TRP 95 -6.653 -0.621 9.253 793 2HB TRP 95 HB1 TRP 95 -5.253 -0.295 8.232 794 HD1 TRP 95 HD1 TRP 95 -3.842 1.965 8.879 795 HE1 TRP 95 HE1 TRP 95 -3.282 2.906 11.218 796 HE3 TRP 95 HE3 TRP 95 -7.416 -0.399 11.642 797 HZ2 TRP 95 HZ2 TRP 95 -4.236 2.675 13.909 798 HZ3 TRP 95 HZ3 TRP 95 -7.574 -0.024 14.086 799 HH2 TRP 95 HH2 TRP 95 -5.992 1.509 15.223 800 H GLY 96 HN GLY 96 -6.096 3.505 8.399 801 1HA GLY 96 HA2 GLY 96 -7.343 4.165 10.832 802 2HA GLY 96 HA1 GLY 96 -6.973 5.355 9.581 803 H LEU 97 HN LEU 97 -8.675 4.002 7.594 804 HA LEU 97 HA LEU 97 -11.265 5.138 8.451 805 1HB LEU 97 HB2 LEU 97 -10.648 5.798 6.255 806 2HB LEU 97 HB1 LEU 97 -10.112 4.176 5.827 807 HG LEU 97 HG LEU 97 -12.464 3.385 5.935 808 1HD1 LEU 97 HD13 LEU 97 -12.861 6.219 6.825 809 2HD1 LEU 97 HD12 LEU 97 -14.138 5.432 5.896 810 3HD1 LEU 97 HD11 LEU 97 -13.612 4.743 7.432 811 1HD2 LEU 97 HD22 LEU 97 -11.450 4.287 3.826 812 2HD2 LEU 97 HD21 LEU 97 -13.204 4.455 3.893 813 3HD2 LEU 97 HD23 LEU 97 -12.172 5.851 4.202 814 H ALA 98 HN ALA 98 -9.738 2.054 7.756 815 HA ALA 98 HA ALA 98 -12.066 0.430 7.538 816 1HB ALA 98 HB2 ALA 98 -9.254 -0.153 8.501 817 2HB ALA 98 HB1 ALA 98 -10.480 -1.406 8.309 818 3HB ALA 98 HB3 ALA 98 -9.931 -0.487 6.907 819 H GLY 99 HN GLY 99 -9.879 0.434 10.336 820 1HA GLY 99 HA2 GLY 99 -10.690 1.003 12.605 821 2HA GLY 99 HA1 GLY 99 -12.281 0.414 12.115 822 H LEU 100 HN LEU 100 -9.242 -1.186 11.341 823 HA LEU 100 HA LEU 100 -9.946 -3.356 13.269 824 1HB LEU 100 HB2 LEU 100 -9.959 -3.487 10.403 825 2HB LEU 100 HB1 LEU 100 -8.642 -4.495 11.004 826 HG LEU 100 HG LEU 100 -10.776 -5.754 10.853 827 1HD1 LEU 100 HD12 LEU 100 -9.065 -5.468 13.152 828 2HD1 LEU 100 HD11 LEU 100 -10.701 -5.857 13.684 829 3HD1 LEU 100 HD13 LEU 100 -9.868 -6.918 12.549 830 1HD2 LEU 100 HD23 LEU 100 -12.072 -3.554 11.487 831 2HD2 LEU 100 HD22 LEU 100 -12.706 -5.113 12.009 832 3HD2 LEU 100 HD21 LEU 100 -11.812 -4.102 13.144 833 H ASN 101 HN ASN 101 -8.301 -2.757 14.716 834 HA ASN 101 HA ASN 101 -5.594 -2.195 13.814 835 1HB ASN 101 HB2 ASN 101 -6.172 -1.161 15.853 836 2HB ASN 101 HB1 ASN 101 -6.882 -2.639 16.505 837 1HD2 ASN 101 HD22 ASN 101 -2.904 -1.955 16.940 838 2HD2 ASN 101 HD21 ASN 101 -3.908 -0.846 16.137 839 H SER 102 HN SER 102 -6.883 -4.859 15.847 840 HA SER 102 HA SER 102 -4.556 -6.494 15.566 841 1HB SER 102 HB2 SER 102 -7.007 -6.659 16.933 842 2HB SER 102 HB1 SER 102 -6.982 -8.062 15.868 843 HG SER 102 HG SER 102 -4.730 -8.299 16.703 844 H CYS 103 HN CYS 103 -3.844 -7.031 13.541 845 HA CYS 103 HA CYS 103 -5.739 -8.516 11.800 846 1HB CYS 103 HB2 CYS 103 -4.007 -6.176 10.962 847 2HB CYS 103 HB1 CYS 103 -4.712 -7.313 9.814 848 HA PRO 104 HA PRO 104 -1.667 -10.594 12.641 849 1HB PRO 104 HB2 PRO 104 -3.192 -13.043 12.585 850 2HB PRO 104 HB1 PRO 104 -2.363 -12.304 13.963 851 1HG PRO 104 HG2 PRO 104 -5.203 -12.423 13.476 852 2HG PRO 104 HG1 PRO 104 -4.368 -11.680 14.848 853 1HD PRO 104 HD2 PRO 104 -5.709 -10.348 12.680 854 2HD PRO 104 HD1 PRO 104 -4.836 -9.606 14.035 855 H VAL 105 HN VAL 105 -1.136 -10.022 10.414 856 HA VAL 105 HA VAL 105 -2.339 -11.459 8.190 857 HB VAL 105 HB VAL 105 -1.340 -9.218 7.897 858 1HG1 VAL 105 HG12 VAL 105 0.710 -10.251 9.476 859 2HG1 VAL 105 HG11 VAL 105 1.436 -10.124 7.874 860 3HG1 VAL 105 HG13 VAL 105 0.731 -8.700 8.638 861 1HG2 VAL 105 HG23 VAL 105 0.092 -11.438 6.402 862 2HG2 VAL 105 HG22 VAL 105 -1.449 -10.709 5.952 863 3HG2 VAL 105 HG21 VAL 105 0.031 -9.752 5.888 864 H LYS 106 HN LYS 106 -1.909 -13.579 7.763 865 HA LYS 106 HA LYS 106 0.800 -14.567 7.630 866 1HB LYS 106 HB2 LYS 106 0.478 -14.537 10.103 867 2HB LYS 106 HB1 LYS 106 -0.894 -15.629 9.911 868 1HG LYS 106 HG2 LYS 106 0.670 -17.263 10.180 869 2HG LYS 106 HG1 LYS 106 1.021 -16.954 8.481 870 1HD LYS 106 HD2 LYS 106 3.023 -15.999 8.947 871 2HD LYS 106 HD1 LYS 106 2.375 -15.102 10.321 872 1HE LYS 106 HE2 LYS 106 2.273 -17.527 11.408 873 2HE LYS 106 HE1 LYS 106 3.546 -17.852 10.232 874 1HZ LYS 106 HZ2 LYS 106 4.360 -15.521 11.215 875 2HZ LYS 106 HZ1 LYS 106 3.584 -16.158 12.586 876 3HZ LYS 106 HZ3 LYS 106 4.843 -17.023 11.849 877 H GLU 107 HN GLU 107 -1.041 -14.651 5.677 878 HA GLU 107 HA GLU 107 -1.686 -17.554 5.532 879 1HB GLU 107 HB2 GLU 107 -3.842 -17.003 4.403 880 2HB GLU 107 HB1 GLU 107 -3.806 -16.443 6.075 881 1HG GLU 107 HG2 GLU 107 -3.369 -14.183 5.404 882 2HG GLU 107 HG1 GLU 107 -3.052 -14.672 3.739 883 H ALA 108 HN ALA 108 0.557 -16.538 4.481 884 HA ALA 108 HA ALA 108 0.230 -17.085 1.661 885 1HB ALA 108 HB3 ALA 108 -0.445 -14.596 1.998 886 2HB ALA 108 HB2 ALA 108 1.279 -14.325 2.256 887 3HB ALA 108 HB1 ALA 108 0.711 -14.981 0.721 888 H ASP 109 HN ASP 109 2.283 -17.409 0.659 889 HA ASP 109 HA ASP 109 4.414 -18.013 2.578 890 1HB ASP 109 HB2 ASP 109 4.032 -18.505 -0.372 891 2HB ASP 109 HB1 ASP 109 5.589 -18.797 0.408 892 H GLN 110 HN GLN 110 5.088 -16.684 -0.652 893 HA GLN 110 HA GLN 110 6.011 -14.132 0.419 894 1HB GLN 110 HB2 GLN 110 7.780 -16.238 0.686 895 2HB GLN 110 HB1 GLN 110 8.285 -15.499 -0.830 896 1HG GLN 110 HG2 GLN 110 8.401 -13.306 0.282 897 2HG GLN 110 HG1 GLN 110 7.922 -14.049 1.805 898 1HE2 GLN 110 HE22 GLN 110 11.097 -15.675 2.290 899 2HE2 GLN 110 HE21 GLN 110 9.443 -15.801 2.647 900 H SER 111 HN SER 111 4.710 -13.287 -1.285 901 HA SER 111 HA SER 111 5.543 -13.982 -4.061 902 1HB SER 111 HB2 SER 111 3.059 -13.739 -3.160 903 2HB SER 111 HB1 SER 111 3.350 -12.028 -3.457 904 HG SER 111 HG SER 111 2.720 -13.889 -5.206 905 H THR 112 HN THR 112 6.781 -12.572 -5.239 906 HA THR 112 HA THR 112 8.216 -10.468 -4.090 907 HB THR 112 HB THR 112 8.623 -9.689 -6.438 908 HG1 THR 112 HG1 THR 112 6.315 -10.936 -6.805 909 1HG2 THR 112 HG21 THR 112 9.513 -11.917 -5.181 910 2HG2 THR 112 HG23 THR 112 8.786 -12.643 -6.613 911 3HG2 THR 112 HG22 THR 112 10.056 -11.432 -6.788 912 H LEU 113 HN LEU 113 7.986 -8.209 -4.047 913 HA LEU 113 HA LEU 113 5.294 -7.231 -3.734 914 1HB LEU 113 HB2 LEU 113 7.585 -6.398 -2.705 915 2HB LEU 113 HB1 LEU 113 7.602 -5.360 -4.132 916 HG LEU 113 HG LEU 113 5.088 -5.533 -2.506 917 1HD1 LEU 113 HD13 LEU 113 7.075 -5.131 -0.953 918 2HD1 LEU 113 HD12 LEU 113 7.347 -3.633 -1.839 919 3HD1 LEU 113 HD11 LEU 113 5.840 -3.873 -0.955 920 1HD2 LEU 113 HD23 LEU 113 6.265 -3.883 -4.607 921 2HD2 LEU 113 HD22 LEU 113 4.580 -4.028 -4.112 922 3HD2 LEU 113 HD21 LEU 113 5.654 -2.913 -3.267 923 H GLU 114 HN GLU 114 7.214 -7.641 -6.545 924 HA GLU 114 HA GLU 114 6.411 -5.371 -8.064 925 1HB GLU 114 HB2 GLU 114 7.248 -8.171 -8.778 926 2HB GLU 114 HB1 GLU 114 6.711 -7.050 -10.030 927 1HG GLU 114 HG2 GLU 114 8.421 -5.428 -8.756 928 2HG GLU 114 HG1 GLU 114 9.166 -6.973 -8.343 929 H ASN 115 HN ASN 115 4.920 -8.606 -7.792 930 HA ASN 115 HA ASN 115 2.651 -7.834 -9.450 931 1HB ASN 115 HB2 ASN 115 3.741 -10.235 -8.799 932 2HB ASN 115 HB1 ASN 115 2.382 -10.189 -7.673 933 1HD2 ASN 115 HD22 ASN 115 1.092 -11.618 -10.864 934 2HD2 ASN 115 HD21 ASN 115 2.239 -12.085 -9.702 935 H PHE 116 HN PHE 116 3.383 -7.535 -6.070 936 HA PHE 116 HA PHE 116 0.621 -7.555 -5.148 937 1HB PHE 116 HB2 PHE 116 2.323 -7.996 -3.515 938 2HB PHE 116 HB1 PHE 116 3.194 -6.521 -3.930 939 HD1 PHE 116 HD1 PHE 116 -0.227 -7.609 -2.831 940 HD2 PHE 116 HD2 PHE 116 2.864 -4.636 -2.593 941 HE1 PHE 116 HE1 PHE 116 -1.561 -6.356 -1.159 942 HE2 PHE 116 HE2 PHE 116 1.529 -3.385 -0.920 943 HZ PHE 116 HZ PHE 116 -0.683 -4.243 -0.203 944 H LEU 117 HN LEU 117 2.984 -4.910 -5.644 945 HA LEU 117 HA LEU 117 1.060 -2.825 -5.269 946 1HB LEU 117 HB2 LEU 117 3.853 -3.014 -5.815 947 2HB LEU 117 HB1 LEU 117 3.142 -1.952 -7.031 948 HG LEU 117 HG LEU 117 3.824 -0.690 -5.005 949 1HD1 LEU 117 HD12 LEU 117 1.817 -0.054 -6.417 950 2HD1 LEU 117 HD11 LEU 117 0.807 -0.850 -5.211 951 3HD1 LEU 117 HD13 LEU 117 1.778 0.551 -4.761 952 1HD2 LEU 117 HD22 LEU 117 3.099 -2.843 -3.575 953 2HD2 LEU 117 HD21 LEU 117 3.112 -1.225 -2.876 954 3HD2 LEU 117 HD23 LEU 117 1.598 -1.928 -3.446 955 H GLU 118 HN GLU 118 2.058 -4.696 -8.115 956 HA GLU 118 HA GLU 118 0.836 -3.013 -10.084 957 1HB GLU 118 HB2 GLU 118 2.286 -4.812 -10.810 958 2HB GLU 118 HB1 GLU 118 1.265 -6.014 -10.022 959 1HG GLU 118 HG2 GLU 118 0.869 -5.887 -12.488 960 2HG GLU 118 HG1 GLU 118 -0.576 -5.514 -11.547 961 NH1 ARG 119 NH2 ARG 119 -4.083 -11.334 -10.439 962 NH2 ARG 119 NH1 ARG 119 -2.207 -11.868 -11.576 963 H ARG 119 HN ARG 119 -0.421 -5.928 -8.462 964 HA ARG 119 HA ARG 119 -3.118 -5.600 -9.423 965 1HB ARG 119 HB2 ARG 119 -2.189 -7.074 -6.939 966 2HB ARG 119 HB1 ARG 119 -3.690 -7.339 -7.827 967 1HG ARG 119 HG2 ARG 119 -1.420 -7.506 -9.618 968 2HG ARG 119 HG1 ARG 119 -1.216 -8.617 -8.264 969 1HD ARG 119 HD2 ARG 119 -3.454 -9.555 -8.678 970 2HD ARG 119 HD1 ARG 119 -3.683 -8.433 -10.020 971 HE ARG 119 HE ARG 119 -1.342 -9.759 -10.669 972 1HH1 ARG 119 HH21 ARG 119 -4.597 -10.718 -9.845 973 2HH1 ARG 119 HH22 ARG 119 -4.510 -12.177 -10.767 974 1HH2 ARG 119 HH11 ARG 119 -1.270 -11.658 -11.855 975 2HH2 ARG 119 HH12 ARG 119 -2.647 -12.708 -11.894 976 H LEU 120 HN LEU 120 -1.341 -3.912 -7.005 977 HA LEU 120 HA LEU 120 -3.625 -3.326 -5.299 978 1HB LEU 120 HB2 LEU 120 -0.902 -3.097 -4.996 979 2HB LEU 120 HB1 LEU 120 -1.384 -1.419 -5.255 980 HG LEU 120 HG LEU 120 -2.434 -3.328 -3.151 981 1HD1 LEU 120 HD13 LEU 120 -0.371 -1.356 -3.210 982 2HD1 LEU 120 HD12 LEU 120 -1.679 -0.740 -2.199 983 3HD1 LEU 120 HD11 LEU 120 -0.938 -2.297 -1.829 984 1HD2 LEU 120 HD21 LEU 120 -3.544 -0.777 -4.267 985 2HD2 LEU 120 HD23 LEU 120 -4.397 -2.209 -3.686 986 3HD2 LEU 120 HD22 LEU 120 -3.695 -1.072 -2.535 987 H LYS 121 HN LYS 121 -1.895 -1.631 -7.911 988 HA LYS 121 HA LYS 121 -3.494 0.769 -7.778 989 1HB LYS 121 HB2 LYS 121 -1.214 0.411 -8.957 990 2HB LYS 121 HB1 LYS 121 -2.157 -0.291 -10.272 991 1HG LYS 121 HG2 LYS 121 -3.424 1.766 -10.533 992 2HG LYS 121 HG1 LYS 121 -2.633 2.474 -9.124 993 1HD LYS 121 HD2 LYS 121 -1.557 3.326 -11.135 994 2HD LYS 121 HD1 LYS 121 -0.437 2.248 -10.301 995 1HE LYS 121 HE2 LYS 121 -0.418 0.770 -12.015 996 2HE LYS 121 HE1 LYS 121 -2.170 0.839 -12.200 997 1HZ LYS 121 HZ2 LYS 121 -1.677 3.162 -13.178 998 2HZ LYS 121 HZ1 LYS 121 -0.108 2.553 -13.410 999 3HZ LYS 121 HZ3 LYS 121 -1.430 1.786 -14.145 1000 H THR 122 HN THR 122 -3.663 -2.232 -9.579 1001 HA THR 122 HA THR 122 -5.822 -1.494 -11.309 1002 HB THR 122 HB THR 122 -5.997 -4.283 -10.854 1003 HG1 THR 122 HG1 THR 122 -3.345 -3.872 -11.365 1004 1HG2 THR 122 HG22 THR 122 -6.146 -3.070 -13.007 1005 2HG2 THR 122 HG21 THR 122 -4.417 -2.734 -12.920 1006 3HG2 THR 122 HG23 THR 122 -4.985 -4.396 -13.080 1007 H ILE 123 HN ILE 123 -5.970 -3.686 -8.489 1008 HA ILE 123 HA ILE 123 -8.767 -3.829 -8.275 1009 HB ILE 123 HB ILE 123 -6.718 -3.770 -6.035 1010 1HG1 ILE 123 HG12 ILE 123 -6.125 -5.790 -6.878 1011 2HG1 ILE 123 HG11 ILE 123 -7.660 -6.360 -6.242 1012 1HG2 ILE 123 HG23 ILE 123 -9.637 -4.557 -6.064 1013 2HG2 ILE 123 HG22 ILE 123 -8.524 -5.007 -4.772 1014 3HG2 ILE 123 HG21 ILE 123 -8.864 -3.307 -5.088 1015 1HD1 ILE 123 HD13 ILE 123 -8.711 -5.774 -8.451 1016 2HD1 ILE 123 HD12 ILE 123 -7.095 -5.420 -9.063 1017 3HD1 ILE 123 HD11 ILE 123 -7.502 -7.051 -8.543 1018 H MET 124 HN MET 124 -6.579 -1.346 -7.020 1019 HA MET 124 HA MET 124 -8.389 0.056 -5.403 1020 1HB MET 124 HB2 MET 124 -6.012 0.964 -7.002 1021 2HB MET 124 HB1 MET 124 -6.958 2.102 -6.046 1022 1HG MET 124 HG2 MET 124 -5.973 -0.458 -4.814 1023 2HG MET 124 HG1 MET 124 -4.910 0.944 -4.929 1024 1HE MET 124 HE3 MET 124 -4.397 1.509 -3.002 1025 2HE MET 124 HE2 MET 124 -5.156 3.098 -3.080 1026 3HE MET 124 HE1 MET 124 -5.363 2.097 -1.643 1027 NH1 ARG 125 NH2 ARG 125 -7.751 5.803 -14.494 1028 NH2 ARG 125 NH1 ARG 125 -8.326 4.288 -16.066 1029 H ARG 125 HN ARG 125 -7.547 0.987 -8.750 1030 HA ARG 125 HA ARG 125 -9.759 2.822 -8.955 1031 1HB ARG 125 HB2 ARG 125 -7.721 3.055 -10.308 1032 2HB ARG 125 HB1 ARG 125 -8.091 1.536 -11.130 1033 1HG ARG 125 HG2 ARG 125 -9.874 2.442 -12.306 1034 2HG ARG 125 HG1 ARG 125 -10.179 3.686 -11.094 1035 1HD ARG 125 HD2 ARG 125 -8.960 5.142 -12.298 1036 2HD ARG 125 HD1 ARG 125 -7.547 4.104 -12.103 1037 HE ARG 125 HE ARG 125 -8.997 2.913 -14.150 1038 1HH1 ARG 125 HH21 ARG 125 -7.676 6.085 -13.539 1039 2HH1 ARG 125 HH22 ARG 125 -7.452 6.426 -15.218 1040 1HH2 ARG 125 HH11 ARG 125 -8.695 3.394 -16.318 1041 2HH2 ARG 125 HH12 ARG 125 -8.022 4.922 -16.777 1042 H GLU 126 HN GLU 126 -9.749 -0.569 -9.117 1043 HA GLU 126 HA GLU 126 -11.822 -0.791 -11.156 1044 1HB GLU 126 HB2 GLU 126 -10.018 -2.545 -10.337 1045 2HB GLU 126 HB1 GLU 126 -11.281 -2.973 -9.183 1046 1HG GLU 126 HG2 GLU 126 -12.495 -2.661 -11.756 1047 2HG GLU 126 HG1 GLU 126 -11.091 -3.715 -11.932 1048 H LYS 127 HN LYS 127 -11.890 -1.697 -7.676 1049 HA LYS 127 HA LYS 127 -14.834 -1.402 -7.760 1050 1HB LYS 127 HB2 LYS 127 -12.905 -2.570 -5.764 1051 2HB LYS 127 HB1 LYS 127 -14.597 -2.290 -5.350 1052 1HG LYS 127 HG2 LYS 127 -15.282 -4.072 -6.556 1053 2HG LYS 127 HG1 LYS 127 -14.322 -3.582 -7.950 1054 1HD LYS 127 HD2 LYS 127 -12.926 -5.291 -7.506 1055 2HD LYS 127 HD1 LYS 127 -12.457 -4.459 -6.024 1056 1HE LYS 127 HE2 LYS 127 -14.703 -5.519 -5.103 1057 2HE LYS 127 HE1 LYS 127 -14.434 -6.675 -6.407 1058 1HZ LYS 127 HZ2 LYS 127 -11.988 -6.305 -5.177 1059 2HZ LYS 127 HZ1 LYS 127 -13.114 -6.470 -3.915 1060 3HZ LYS 127 HZ3 LYS 127 -12.981 -7.681 -5.095 1061 OH TYR 128 OH TYR 128 -10.395 -2.564 -1.729 1062 H TYR 128 HN TYR 128 -12.077 0.315 -6.356 1063 HA TYR 128 HA TYR 128 -13.881 1.864 -4.628 1064 1HB TYR 128 HB2 TYR 128 -10.973 2.443 -5.211 1065 2HB TYR 128 HB1 TYR 128 -11.926 3.001 -3.835 1066 HD1 TYR 128 HD2 TYR 128 -13.446 0.440 -3.292 1067 HD2 TYR 128 HD1 TYR 128 -9.303 1.178 -4.093 1068 HE1 TYR 128 HE2 TYR 128 -12.844 -1.635 -2.076 1069 HE2 TYR 128 HE1 TYR 128 -8.689 -0.900 -2.884 1070 HH TYR 128 HH TYR 128 -10.793 -2.528 -0.856 1071 H SER 129 HN SER 129 -13.559 1.948 -7.857 1072 HA SER 129 HA SER 129 -13.021 4.693 -8.436 1073 1HB SER 129 HB2 SER 129 -13.679 2.417 -9.914 1074 2HB SER 129 HB1 SER 129 -15.049 3.497 -10.163 1075 HG SER 129 HG SER 129 -13.608 5.091 -10.830 1076 H LYS 130 HN LYS 130 -15.770 3.085 -7.019 1077 HA LYS 130 HA LYS 130 -17.153 5.712 -6.931 1078 1HB LYS 130 HB2 LYS 130 -18.020 4.009 -8.726 1079 2HB LYS 130 HB1 LYS 130 -18.759 3.204 -7.347 1080 1HG LYS 130 HG2 LYS 130 -19.398 5.844 -6.882 1081 2HG LYS 130 HG1 LYS 130 -19.486 5.740 -8.640 1082 1HD LYS 130 HD2 LYS 130 -21.037 3.887 -8.518 1083 2HD LYS 130 HD1 LYS 130 -20.844 3.784 -6.768 1084 1HE LYS 130 HE2 LYS 130 -22.265 5.513 -6.388 1085 2HE LYS 130 HE1 LYS 130 -21.627 6.453 -7.737 1086 1HZ LYS 130 HZ3 LYS 130 -23.226 4.050 -8.283 1087 2HZ LYS 130 HZ2 LYS 130 -24.018 5.486 -7.839 1088 3HZ LYS 130 HZ1 LYS 130 -23.033 5.448 -9.222 1089 H CYS 131 HN CYS 131 -18.113 2.454 -5.771 1090 HA CYS 131 HA CYS 131 -17.317 2.831 -3.064 1091 1HB CYS 131 HB2 CYS 131 -19.159 4.658 -3.414 1092 2HB CYS 131 HB1 CYS 131 -20.277 3.299 -3.353 1093 H SER 132 HN SER 132 -17.071 0.596 -4.446 1094 HA SER 132 HA SER 132 -19.224 -1.208 -4.665 1095 1HB SER 132 HB2 SER 132 -16.439 -1.345 -4.928 1096 2HB SER 132 HB1 SER 132 -16.825 -2.530 -3.684 1097 HG SER 132 HG SER 132 -18.000 -2.308 -6.265 1098 H SER 133 HN SER 133 -20.563 -2.027 -3.129 1099 HA SER 133 HA SER 133 -19.981 -1.616 -0.292 1100 1HB SER 133 HB2 SER 133 -22.289 -1.447 -1.315 1101 2HB SER 133 HB1 SER 133 -22.254 -3.194 -1.526 1102 HG SER 133 HG SER 133 -22.353 -1.656 0.818 Start of MODEL 13 Raw file had 1102 H/Q atoms Start of MODEL 13 1 1H GLU 1 HT3 GLU 1 -31.111 6.928 10.265 2 2H GLU 1 HT2 GLU 1 -32.238 5.657 10.223 3 3H GLU 1 HT1 GLU 1 -30.721 5.428 10.952 4 HA GLU 1 HA GLU 1 -29.738 4.925 9.039 5 1HB GLU 1 HB2 GLU 1 -32.628 4.989 8.124 6 2HB GLU 1 HB1 GLU 1 -31.312 4.262 7.201 7 1HG GLU 1 HG2 GLU 1 -30.878 2.648 8.931 8 2HG GLU 1 HG1 GLU 1 -31.962 3.473 10.052 9 H ALA 2 HN ALA 2 -28.697 5.919 7.310 10 HA ALA 2 HA ALA 2 -29.887 8.040 5.755 11 1HB ALA 2 HB3 ALA 2 -28.182 8.749 8.123 12 2HB ALA 2 HB2 ALA 2 -28.106 9.750 6.673 13 3HB ALA 2 HB1 ALA 2 -29.637 9.544 7.523 14 H GLU 3 HN GLU 3 -26.627 7.280 7.060 15 HA GLU 3 HA GLU 3 -25.763 6.362 4.410 16 1HB GLU 3 HB2 GLU 3 -25.270 9.092 5.339 17 2HB GLU 3 HB1 GLU 3 -23.779 8.230 4.961 18 1HG GLU 3 HG2 GLU 3 -25.950 7.839 2.999 19 2HG GLU 3 HG1 GLU 3 -25.337 9.490 3.097 20 H ALA 4 HN ALA 4 -24.401 4.686 4.810 21 HA ALA 4 HA ALA 4 -23.343 4.249 7.484 22 1HB ALA 4 HB1 ALA 4 -22.831 2.793 4.874 23 2HB ALA 4 HB3 ALA 4 -22.265 2.249 6.452 24 3HB ALA 4 HB2 ALA 4 -23.994 2.333 6.117 25 H HIS 5 HN HIS 5 -21.604 4.414 4.351 26 HA HIS 5 HA HIS 5 -19.562 6.104 5.708 27 1HB HIS 5 HB2 HIS 5 -17.758 4.777 4.937 28 2HB HIS 5 HB1 HIS 5 -18.922 3.601 5.543 29 HD1 HIS 5 HD1 HIS 5 -20.168 2.139 3.813 30 HD2 HIS 5 HD2 HIS 5 -17.465 4.808 2.097 31 HE1 HIS 5 HE1 HIS 5 -19.914 1.443 1.392 32 H LYS 6 HN LYS 6 -18.198 7.262 4.069 33 HA LYS 6 HA LYS 6 -19.768 7.704 1.559 34 1HB LYS 6 HB2 LYS 6 -18.515 10.014 1.667 35 2HB LYS 6 HB1 LYS 6 -19.954 9.751 2.650 36 1HG LYS 6 HG2 LYS 6 -17.319 8.994 3.832 37 2HG LYS 6 HG1 LYS 6 -17.699 10.709 3.712 38 1HD LYS 6 HD2 LYS 6 -19.994 10.043 4.744 39 2HD LYS 6 HD1 LYS 6 -19.164 8.566 5.234 40 1HE LYS 6 HE2 LYS 6 -18.647 9.831 7.074 41 2HE LYS 6 HE1 LYS 6 -17.334 10.377 6.033 42 1HZ LYS 6 HZ3 LYS 6 -19.210 12.043 5.256 43 2HZ LYS 6 HZ2 LYS 6 -19.771 11.765 6.836 44 3HZ LYS 6 HZ1 LYS 6 -18.207 12.376 6.582 45 H CYS 7 HN CYS 7 -18.515 6.065 0.492 46 HA CYS 7 HA CYS 7 -15.710 5.901 0.311 47 1HB CYS 7 HB2 CYS 7 -16.472 4.188 -0.958 48 2HB CYS 7 HB1 CYS 7 -18.006 5.005 -1.262 49 H ASP 8 HN ASP 8 -17.885 8.235 -1.118 50 HA ASP 8 HA ASP 8 -16.409 9.239 -3.250 51 1HB ASP 8 HB2 ASP 8 -18.147 10.665 -1.237 52 2HB ASP 8 HB1 ASP 8 -17.482 11.469 -2.659 53 H ILE 9 HN ILE 9 -15.946 10.118 0.194 54 HA ILE 9 HA ILE 9 -13.731 11.870 -0.665 55 HB ILE 9 HB ILE 9 -14.897 13.001 0.958 56 1HG1 ILE 9 HG12 ILE 9 -13.050 11.645 2.885 57 2HG1 ILE 9 HG11 ILE 9 -12.372 12.516 1.509 58 1HG2 ILE 9 HG22 ILE 9 -15.473 10.326 2.073 59 2HG2 ILE 9 HG21 ILE 9 -15.299 11.615 3.261 60 3HG2 ILE 9 HG23 ILE 9 -16.497 11.756 1.976 61 1HD1 ILE 9 HD13 ILE 9 -14.092 14.390 2.306 62 2HD1 ILE 9 HD12 ILE 9 -13.899 13.567 3.853 63 3HD1 ILE 9 HD11 ILE 9 -12.492 14.247 3.037 64 H THR 10 HN THR 10 -13.634 9.830 2.244 65 HA THR 10 HA THR 10 -10.915 9.480 2.358 66 HB THR 10 HB THR 10 -12.712 7.169 3.017 67 HG1 THR 10 HG1 THR 10 -13.523 8.276 4.682 68 1HG2 THR 10 HG22 THR 10 -10.078 8.239 3.823 69 2HG2 THR 10 HG21 THR 10 -11.092 7.674 5.150 70 3HG2 THR 10 HG23 THR 10 -10.673 6.579 3.833 71 H LEU 11 HN LEU 11 -13.078 7.467 0.327 72 HA LEU 11 HA LEU 11 -10.826 5.717 -0.321 73 1HB LEU 11 HB2 LEU 11 -13.638 5.541 -0.503 74 2HB LEU 11 HB1 LEU 11 -13.010 5.369 -2.143 75 HG LEU 11 HG LEU 11 -11.431 3.638 -1.361 76 1HD1 LEU 11 HD11 LEU 11 -12.058 4.734 1.180 77 2HD1 LEU 11 HD13 LEU 11 -12.630 3.066 1.191 78 3HD1 LEU 11 HD12 LEU 11 -10.941 3.417 0.823 79 1HD2 LEU 11 HD23 LEU 11 -13.862 3.133 -2.052 80 2HD2 LEU 11 HD22 LEU 11 -13.011 1.881 -1.149 81 3HD2 LEU 11 HD21 LEU 11 -14.177 2.920 -0.330 82 H GLN 12 HN GLN 12 -12.218 8.579 -1.818 83 HA GLN 12 HA GLN 12 -10.983 7.969 -4.394 84 1HB GLN 12 HB2 GLN 12 -12.174 9.737 -5.164 85 2HB GLN 12 HB1 GLN 12 -12.962 9.705 -3.595 86 1HG GLN 12 HG2 GLN 12 -12.318 11.927 -3.708 87 2HG GLN 12 HG1 GLN 12 -10.914 11.253 -2.892 88 1HE2 GLN 12 HE22 GLN 12 -9.022 12.802 -5.477 89 2HE2 GLN 12 HE21 GLN 12 -9.401 12.801 -3.822 90 H GLU 13 HN GLU 13 -10.043 9.624 -1.457 91 HA GLU 13 HA GLU 13 -7.603 10.717 -2.692 92 1HB GLU 13 HB2 GLU 13 -8.835 10.792 0.052 93 2HB GLU 13 HB1 GLU 13 -7.127 11.191 -0.149 94 1HG GLU 13 HG2 GLU 13 -8.016 12.715 -2.106 95 2HG GLU 13 HG1 GLU 13 -9.541 12.614 -1.226 96 H ILE 14 HN ILE 14 -8.616 7.979 -0.721 97 HA ILE 14 HA ILE 14 -5.988 7.068 0.016 98 HB ILE 14 HB ILE 14 -8.736 6.023 0.069 99 1HG1 ILE 14 HG12 ILE 14 -6.621 4.954 1.850 100 2HG1 ILE 14 HG11 ILE 14 -6.841 6.703 1.901 101 1HG2 ILE 14 HG22 ILE 14 -6.414 4.151 -0.466 102 2HG2 ILE 14 HG21 ILE 14 -7.944 3.626 0.234 103 3HG2 ILE 14 HG23 ILE 14 -7.908 4.301 -1.391 104 1HD1 ILE 14 HD11 ILE 14 -9.443 5.618 1.884 105 2HD1 ILE 14 HD13 ILE 14 -8.522 4.629 3.017 106 3HD1 ILE 14 HD12 ILE 14 -8.615 6.375 3.246 107 H ILE 15 HN ILE 15 -8.032 6.653 -2.829 108 HA ILE 15 HA ILE 15 -6.347 4.683 -4.130 109 HB ILE 15 HB ILE 15 -8.649 6.418 -4.893 110 1HG1 ILE 15 HG12 ILE 15 -9.605 4.352 -5.566 111 2HG1 ILE 15 HG11 ILE 15 -8.027 3.576 -5.704 112 1HG2 ILE 15 HG21 ILE 15 -6.569 5.388 -6.821 113 2HG2 ILE 15 HG23 ILE 15 -8.246 5.610 -7.316 114 3HG2 ILE 15 HG22 ILE 15 -7.305 6.990 -6.750 115 1HD1 ILE 15 HD12 ILE 15 -8.925 4.667 -3.056 116 2HD1 ILE 15 HD11 ILE 15 -9.506 3.096 -3.597 117 3HD1 ILE 15 HD13 ILE 15 -7.778 3.373 -3.388 118 H LYS 16 HN LYS 16 -6.678 8.226 -4.327 119 HA LYS 16 HA LYS 16 -4.797 8.699 -6.378 120 1HB LYS 16 HB2 LYS 16 -6.190 10.493 -5.476 121 2HB LYS 16 HB1 LYS 16 -5.381 10.367 -3.914 122 1HG LYS 16 HG2 LYS 16 -3.622 11.603 -4.615 123 2HG LYS 16 HG1 LYS 16 -3.492 10.695 -6.122 124 1HD LYS 16 HD2 LYS 16 -4.046 12.929 -6.755 125 2HD LYS 16 HD1 LYS 16 -5.533 11.995 -6.928 126 1HE LYS 16 HE2 LYS 16 -6.560 13.044 -5.169 127 2HE LYS 16 HE1 LYS 16 -5.057 13.217 -4.261 128 1HZ LYS 16 HZ2 LYS 16 -4.579 14.806 -6.345 129 2HZ LYS 16 HZ1 LYS 16 -6.262 14.996 -6.209 130 3HZ LYS 16 HZ3 LYS 16 -5.261 15.351 -4.887 131 H THR 17 HN THR 17 -4.309 8.017 -2.951 132 HA THR 17 HA THR 17 -1.471 8.594 -2.945 133 HB THR 17 HB THR 17 -2.819 6.634 -1.084 134 HG1 THR 17 HG1 THR 17 -3.079 8.853 0.068 135 1HG2 THR 17 HG22 THR 17 -0.664 8.740 -0.730 136 2HG2 THR 17 HG21 THR 17 -1.261 7.670 0.539 137 3HG2 THR 17 HG23 THR 17 -0.397 7.001 -0.845 138 H LEU 18 HN LEU 18 -3.414 5.655 -3.371 139 HA LEU 18 HA LEU 18 -1.352 3.727 -3.497 140 1HB LEU 18 HB2 LEU 18 -4.050 3.654 -3.795 141 2HB LEU 18 HB1 LEU 18 -3.558 3.486 -5.478 142 HG LEU 18 HG LEU 18 -3.764 1.279 -4.473 143 1HD1 LEU 18 HD12 LEU 18 -1.871 1.841 -6.080 144 2HD1 LEU 18 HD11 LEU 18 -0.819 1.927 -4.668 145 3HD1 LEU 18 HD13 LEU 18 -1.623 0.413 -5.078 146 1HD2 LEU 18 HD21 LEU 18 -3.073 2.437 -2.141 147 2HD2 LEU 18 HD23 LEU 18 -2.903 0.703 -2.419 148 3HD2 LEU 18 HD22 LEU 18 -1.506 1.766 -2.592 149 H ASN 19 HN ASN 19 -2.542 5.945 -6.001 150 HA ASN 19 HA ASN 19 -0.904 4.808 -8.106 151 1HB ASN 19 HB2 ASN 19 -2.986 6.182 -8.487 152 2HB ASN 19 HB1 ASN 19 -2.078 7.600 -7.965 153 1HD2 ASN 19 HD22 ASN 19 -1.354 5.983 -11.648 154 2HD2 ASN 19 HD21 ASN 19 -2.326 5.154 -10.531 155 H SER 20 HN SER 20 -0.527 7.476 -5.807 156 HA SER 20 HA SER 20 1.764 8.700 -6.902 157 1HB SER 20 HB2 SER 20 1.086 9.913 -5.086 158 2HB SER 20 HB1 SER 20 0.569 8.482 -4.196 159 HG SER 20 HG SER 20 3.206 9.462 -4.579 160 H LEU 21 HN LEU 21 1.506 5.786 -4.881 161 HA LEU 21 HA LEU 21 4.375 5.500 -4.575 162 1HB LEU 21 HB2 LEU 21 2.254 3.337 -4.321 163 2HB LEU 21 HB1 LEU 21 3.885 3.300 -3.649 164 HG LEU 21 HG LEU 21 1.690 5.251 -2.898 165 1HD1 LEU 21 HD13 LEU 21 1.860 2.701 -2.090 166 2HD1 LEU 21 HD12 LEU 21 3.035 3.398 -0.977 167 3HD1 LEU 21 HD11 LEU 21 1.373 3.990 -0.988 168 1HD2 LEU 21 HD23 LEU 21 4.619 5.042 -2.205 169 2HD2 LEU 21 HD22 LEU 21 3.697 6.470 -2.672 170 3HD2 LEU 21 HD21 LEU 21 3.481 5.767 -1.070 171 H THR 22 HN THR 22 2.041 4.442 -6.978 172 HA THR 22 HA THR 22 3.615 2.413 -8.223 173 HB THR 22 HB THR 22 1.464 4.250 -9.282 174 HG1 THR 22 HG1 THR 22 0.416 2.127 -9.331 175 1HG2 THR 22 HG22 THR 22 2.997 2.052 -10.690 176 2HG2 THR 22 HG21 THR 22 1.421 2.627 -11.237 177 3HG2 THR 22 HG23 THR 22 2.799 3.728 -11.204 178 H GLU 23 HN GLU 23 4.035 5.859 -8.237 179 HA GLU 23 HA GLU 23 5.249 6.206 -10.780 180 1HB GLU 23 HB2 GLU 23 4.639 8.050 -9.162 181 2HB GLU 23 HB1 GLU 23 6.084 7.625 -8.239 182 1HG GLU 23 HG2 GLU 23 7.457 7.979 -10.292 183 2HG GLU 23 HG1 GLU 23 6.003 8.511 -11.138 184 H GLN 24 HN GLN 24 6.468 4.676 -7.889 185 HA GLN 24 HA GLN 24 8.903 3.895 -9.374 186 1HB GLN 24 HB2 GLN 24 9.224 6.106 -8.017 187 2HB GLN 24 HB1 GLN 24 9.231 5.040 -6.614 188 1HG GLN 24 HG2 GLN 24 10.905 3.818 -8.532 189 2HG GLN 24 HG1 GLN 24 11.342 5.527 -8.518 190 1HE2 GLN 24 HE22 GLN 24 12.256 5.436 -4.985 191 2HE2 GLN 24 HE21 GLN 24 11.428 6.433 -6.082 192 H LYS 25 HN LYS 25 7.051 2.074 -8.876 193 HA LYS 25 HA LYS 25 8.016 0.662 -6.419 194 1HB LYS 25 HB2 LYS 25 5.242 0.875 -7.574 195 2HB LYS 25 HB1 LYS 25 5.702 -0.495 -6.564 196 1HG LYS 25 HG2 LYS 25 6.340 2.264 -5.593 197 2HG LYS 25 HG1 LYS 25 4.676 1.695 -5.478 198 1HD LYS 25 HD2 LYS 25 5.200 0.041 -3.954 199 2HD LYS 25 HD1 LYS 25 6.855 -0.126 -4.539 200 1HE LYS 25 HE2 LYS 25 7.629 1.429 -3.090 201 2HE LYS 25 HE1 LYS 25 6.319 2.543 -3.472 202 1HZ LYS 25 HZ3 LYS 25 5.309 0.344 -2.019 203 2HZ LYS 25 HZ2 LYS 25 6.625 1.010 -1.184 204 3HZ LYS 25 HZ1 LYS 25 5.304 1.987 -1.601 205 H THR 26 HN THR 26 9.594 0.001 -8.320 206 HA THR 26 HA THR 26 8.637 -2.643 -9.252 207 HB THR 26 HB THR 26 9.913 -2.020 -11.491 208 HG1 THR 26 HG1 THR 26 10.510 0.042 -10.919 209 1HG2 THR 26 HG23 THR 26 7.184 -1.994 -10.613 210 2HG2 THR 26 HG22 THR 26 7.408 -0.724 -11.817 211 3HG2 THR 26 HG21 THR 26 7.819 -2.394 -12.209 212 H LEU 27 HN LEU 27 11.367 -0.355 -9.138 213 HA LEU 27 HA LEU 27 13.358 -2.487 -9.192 214 1HB LEU 27 HB2 LEU 27 13.665 -0.046 -9.966 215 2HB LEU 27 HB1 LEU 27 13.787 0.358 -8.254 216 HG LEU 27 HG LEU 27 15.574 -1.533 -8.163 217 1HD1 LEU 27 HD13 LEU 27 15.450 -0.929 -11.133 218 2HD1 LEU 27 HD12 LEU 27 16.793 -1.763 -10.350 219 3HD1 LEU 27 HD11 LEU 27 15.187 -2.493 -10.361 220 1HD2 LEU 27 HD22 LEU 27 15.898 1.020 -8.068 221 2HD2 LEU 27 HD21 LEU 27 17.294 0.063 -8.564 222 3HD2 LEU 27 HD23 LEU 27 16.332 0.910 -9.774 223 H CYS 28 HN CYS 28 12.197 -0.203 -6.702 224 HA CYS 28 HA CYS 28 13.629 -1.556 -4.572 225 1HB CYS 28 HB2 CYS 28 12.073 0.833 -4.881 226 2HB CYS 28 HB1 CYS 28 11.450 -0.077 -3.505 227 H THR 29 HN THR 29 10.770 -2.332 -6.269 228 HA THR 29 HA THR 29 9.485 -3.687 -3.985 229 HB THR 29 HB THR 29 7.735 -4.257 -5.610 230 HG1 THR 29 HG1 THR 29 8.946 -4.638 -7.424 231 1HG2 THR 29 HG21 THR 29 7.780 -1.987 -4.592 232 2HG2 THR 29 HG23 THR 29 8.691 -1.412 -5.989 233 3HG2 THR 29 HG22 THR 29 7.040 -2.000 -6.193 234 H GLU 30 HN GLU 30 12.157 -4.471 -5.602 235 HA GLU 30 HA GLU 30 11.422 -7.215 -6.378 236 1HB GLU 30 HB2 GLU 30 13.554 -5.350 -6.968 237 2HB GLU 30 HB1 GLU 30 14.223 -6.901 -6.457 238 1HG GLU 30 HG2 GLU 30 11.938 -6.910 -8.387 239 2HG GLU 30 HG1 GLU 30 13.541 -6.480 -8.989 240 H LEU 31 HN LEU 31 11.583 -6.095 -3.429 241 HA LEU 31 HA LEU 31 13.568 -8.001 -2.363 242 1HB LEU 31 HB2 LEU 31 11.743 -6.004 -0.976 243 2HB LEU 31 HB1 LEU 31 12.921 -7.025 -0.151 244 HG LEU 31 HG LEU 31 13.595 -5.035 -2.338 245 1HD1 LEU 31 HD12 LEU 31 12.814 -4.175 -0.006 246 2HD1 LEU 31 HD11 LEU 31 14.359 -4.806 0.566 247 3HD1 LEU 31 HD13 LEU 31 14.323 -3.546 -0.669 248 1HD2 LEU 31 HD23 LEU 31 15.155 -7.012 -0.702 249 2HD2 LEU 31 HD22 LEU 31 15.302 -6.624 -2.416 250 3HD2 LEU 31 HD21 LEU 31 15.931 -5.509 -1.202 251 H THR 32 HN THR 32 10.794 -7.726 -0.315 252 HA THR 32 HA THR 32 9.146 -9.724 -1.549 253 HB THR 32 HB THR 32 9.825 -11.361 0.523 254 HG1 THR 32 HG1 THR 32 12.299 -10.536 -0.516 255 1HG2 THR 32 HG21 THR 32 10.002 -11.321 -2.313 256 2HG2 THR 32 HG23 THR 32 11.525 -11.973 -1.712 257 3HG2 THR 32 HG22 THR 32 9.999 -12.729 -1.252 258 H VAL 33 HN VAL 33 7.160 -9.538 -0.623 259 HA VAL 33 HA VAL 33 7.019 -8.562 2.195 260 HB VAL 33 HB VAL 33 5.002 -7.282 1.547 261 1HG1 VAL 33 HG13 VAL 33 7.250 -6.229 1.451 262 2HG1 VAL 33 HG12 VAL 33 7.381 -6.704 -0.242 263 3HG1 VAL 33 HG11 VAL 33 6.149 -5.544 0.256 264 1HG2 VAL 33 HG22 VAL 33 4.972 -8.982 -0.655 265 2HG2 VAL 33 HG21 VAL 33 3.973 -7.542 -0.459 266 3HG2 VAL 33 HG23 VAL 33 5.499 -7.445 -1.340 267 H THR 34 HN THR 34 3.888 -8.915 1.584 268 HA THR 34 HA THR 34 3.959 -11.899 1.847 269 HB THR 34 HB THR 34 2.908 -9.854 3.650 270 HG1 THR 34 HG1 THR 34 3.552 -11.345 4.963 271 1HG2 THR 34 HG21 THR 34 1.032 -12.036 2.700 272 2HG2 THR 34 HG23 THR 34 0.800 -11.093 4.171 273 3HG2 THR 34 HG22 THR 34 0.764 -10.295 2.601 274 H ASP 35 HN ASP 35 2.515 -12.974 0.512 275 HA ASP 35 HA ASP 35 0.997 -11.371 -1.420 276 1HB ASP 35 HB2 ASP 35 0.258 -13.659 -2.272 277 2HB ASP 35 HB1 ASP 35 1.987 -13.345 -2.348 278 H ILE 36 HN ILE 36 -1.202 -11.079 -1.439 279 HA ILE 36 HA ILE 36 -2.785 -12.493 0.657 280 HB ILE 36 HB ILE 36 -3.527 -10.560 1.617 281 1HG1 ILE 36 HG12 ILE 36 -3.314 -9.368 -1.158 282 2HG1 ILE 36 HG11 ILE 36 -4.779 -9.707 -0.236 283 1HG2 ILE 36 HG22 ILE 36 -0.992 -10.464 1.559 284 2HG2 ILE 36 HG21 ILE 36 -1.136 -9.369 0.183 285 3HG2 ILE 36 HG23 ILE 36 -1.781 -8.898 1.754 286 1HD1 ILE 36 HD11 ILE 36 -3.446 -8.064 1.488 287 2HD1 ILE 36 HD13 ILE 36 -2.941 -7.403 -0.066 288 3HD1 ILE 36 HD12 ILE 36 -4.655 -7.507 0.332 289 H PHE 37 HN PHE 37 -2.477 -12.001 -2.602 290 HA PHE 37 HA PHE 37 -5.421 -11.926 -3.070 291 1HB PHE 37 HB2 PHE 37 -3.080 -11.470 -4.943 292 2HB PHE 37 HB1 PHE 37 -4.766 -11.511 -5.460 293 HD1 PHE 37 HD2 PHE 37 -6.321 -10.050 -3.673 294 HD2 PHE 37 HD1 PHE 37 -2.225 -9.320 -4.745 295 HE1 PHE 37 HE2 PHE 37 -6.578 -7.670 -3.035 296 HE2 PHE 37 HE1 PHE 37 -2.483 -6.938 -4.107 297 HZ PHE 37 HZ PHE 37 -4.661 -6.113 -3.254 298 H ALA 38 HN ALA 38 -3.810 -14.291 -2.136 299 HA ALA 38 HA ALA 38 -4.058 -16.060 -4.520 300 1HB ALA 38 HB1 ALA 38 -2.474 -16.150 -1.990 301 2HB ALA 38 HB3 ALA 38 -2.944 -17.684 -2.722 302 3HB ALA 38 HB2 ALA 38 -1.975 -16.529 -3.638 303 H ALA 39 HN ALA 39 -5.216 -15.628 -1.206 304 HA ALA 39 HA ALA 39 -7.225 -17.777 -1.753 305 1HB ALA 39 HB1 ALA 39 -5.443 -18.074 0.146 306 2HB ALA 39 HB3 ALA 39 -6.458 -16.935 1.030 307 3HB ALA 39 HB2 ALA 39 -7.128 -18.470 0.480 308 H SER 40 HN SER 40 -7.905 -15.341 -2.687 309 HA SER 40 HA SER 40 -9.388 -13.869 -0.595 310 1HB SER 40 HB2 SER 40 -8.119 -12.743 -2.510 311 2HB SER 40 HB1 SER 40 -9.384 -13.343 -3.578 312 HG SER 40 HG SER 40 -10.877 -12.268 -2.108 313 H LYS 41 HN LYS 41 -10.607 -16.109 -0.399 314 HA LYS 41 HA LYS 41 -12.885 -16.118 -2.338 315 1HB LYS 41 HB2 LYS 41 -12.146 -18.399 -0.507 316 2HB LYS 41 HB1 LYS 41 -13.132 -18.446 -1.969 317 1HG LYS 41 HG2 LYS 41 -11.109 -17.805 -3.293 318 2HG LYS 41 HG1 LYS 41 -10.151 -17.918 -1.817 319 1HD LYS 41 HD2 LYS 41 -11.280 -20.314 -1.662 320 2HD LYS 41 HD1 LYS 41 -11.448 -20.100 -3.406 321 1HE LYS 41 HE2 LYS 41 -8.797 -19.362 -2.346 322 2HE LYS 41 HE1 LYS 41 -9.198 -21.071 -2.179 323 1HZ LYS 41 HZ1 LYS 41 -9.532 -19.577 -4.715 324 2HZ LYS 41 HZ3 LYS 41 -8.112 -20.417 -4.322 325 3HZ LYS 41 HZ2 LYS 41 -9.578 -21.259 -4.482 326 H ASP 42 HN ASP 42 -12.175 -15.051 0.743 327 HA ASP 42 HA ASP 42 -14.984 -14.843 1.430 328 1HB ASP 42 HB2 ASP 42 -14.751 -16.148 3.587 329 2HB ASP 42 HB1 ASP 42 -14.743 -17.139 2.127 330 H THR 43 HN THR 43 -13.715 -12.661 1.273 331 HA THR 43 HA THR 43 -13.130 -11.845 4.045 332 HB THR 43 HB THR 43 -11.123 -10.620 2.399 333 HG1 THR 43 HG1 THR 43 -10.063 -12.909 2.301 334 1HG2 THR 43 HG21 THR 43 -11.134 -10.991 4.885 335 2HG2 THR 43 HG23 THR 43 -10.835 -12.702 4.580 336 3HG2 THR 43 HG22 THR 43 -9.640 -11.498 4.097 337 H THR 44 HN THR 44 -12.633 -9.302 3.919 338 HA THR 44 HA THR 44 -14.503 -8.163 1.885 339 HB THR 44 HB THR 44 -14.765 -6.380 3.855 340 HG1 THR 44 HG1 THR 44 -14.855 -7.693 5.818 341 1HG2 THR 44 HG21 THR 44 -16.539 -7.768 2.750 342 2HG2 THR 44 HG23 THR 44 -16.184 -9.051 3.908 343 3HG2 THR 44 HG22 THR 44 -16.815 -7.505 4.473 344 H GLU 45 HN GLU 45 -14.164 -5.609 1.904 345 HA GLU 45 HA GLU 45 -11.388 -5.219 1.091 346 1HB GLU 45 HB2 GLU 45 -12.074 -3.109 0.257 347 2HB GLU 45 HB1 GLU 45 -13.470 -4.156 -0.002 348 1HG GLU 45 HG2 GLU 45 -14.289 -3.351 2.299 349 2HG GLU 45 HG1 GLU 45 -13.064 -2.089 2.160 350 H LYS 46 HN LYS 46 -13.392 -4.293 3.869 351 HA LYS 46 HA LYS 46 -11.514 -2.380 4.906 352 1HB LYS 46 HB2 LYS 46 -12.971 -2.169 6.637 353 2HB LYS 46 HB1 LYS 46 -14.033 -3.137 5.620 354 1HG LYS 46 HG2 LYS 46 -13.122 -5.200 6.721 355 2HG LYS 46 HG1 LYS 46 -12.209 -4.162 7.818 356 1HD LYS 46 HD2 LYS 46 -14.209 -4.692 8.989 357 2HD LYS 46 HD1 LYS 46 -14.446 -3.050 8.390 358 1HE LYS 46 HE2 LYS 46 -15.667 -3.971 6.427 359 2HE LYS 46 HE1 LYS 46 -15.488 -5.590 7.103 360 1HZ LYS 46 HZ1 LYS 46 -16.497 -3.901 9.095 361 2HZ LYS 46 HZ3 LYS 46 -17.437 -3.679 7.700 362 3HZ LYS 46 HZ2 LYS 46 -17.254 -5.233 8.361 363 H GLU 47 HN GLU 47 -11.795 -5.898 5.206 364 HA GLU 47 HA GLU 47 -9.647 -6.072 7.173 365 1HB GLU 47 HB2 GLU 47 -11.516 -7.893 5.939 366 2HB GLU 47 HB1 GLU 47 -9.881 -8.545 5.817 367 1HG GLU 47 HG2 GLU 47 -9.570 -8.566 8.137 368 2HG GLU 47 HG1 GLU 47 -10.835 -7.367 8.412 369 H THR 48 HN THR 48 -9.933 -6.438 3.647 370 HA THR 48 HA THR 48 -7.188 -7.244 3.232 371 HB THR 48 HB THR 48 -9.383 -6.174 1.484 372 HG1 THR 48 HG1 THR 48 -8.440 -8.181 0.371 373 1HG2 THR 48 HG23 THR 48 -6.446 -6.299 0.810 374 2HG2 THR 48 HG22 THR 48 -7.694 -6.405 -0.432 375 3HG2 THR 48 HG21 THR 48 -7.567 -4.959 0.569 376 H PHE 49 HN PHE 49 -8.659 -4.185 3.928 377 HA PHE 49 HA PHE 49 -6.525 -2.582 2.739 378 1HB PHE 49 HB2 PHE 49 -8.973 -2.031 4.383 379 2HB PHE 49 HB1 PHE 49 -7.726 -0.793 4.270 380 HD1 PHE 49 HD1 PHE 49 -8.651 -3.244 1.622 381 HD2 PHE 49 HD2 PHE 49 -8.855 0.838 2.940 382 HE1 PHE 49 HE1 PHE 49 -9.588 -2.587 -0.574 383 HE2 PHE 49 HE2 PHE 49 -9.788 1.498 0.735 384 HZ PHE 49 HZ PHE 49 -10.164 -0.222 -1.016 385 H CYS 50 HN CYS 50 -7.484 -3.569 6.048 386 HA CYS 50 HA CYS 50 -5.281 -2.129 7.285 387 1HB CYS 50 HB2 CYS 50 -6.404 -2.662 9.163 388 2HB CYS 50 HB1 CYS 50 -7.555 -3.573 8.182 389 NH1 ARG 51 NH2 ARG 51 -6.911 -12.040 5.925 390 NH2 ARG 51 NH1 ARG 51 -5.157 -13.063 6.913 391 H ARG 51 HN ARG 51 -5.684 -5.355 5.935 392 HA ARG 51 HA ARG 51 -3.298 -6.456 7.170 393 1HB ARG 51 HB2 ARG 51 -5.146 -7.304 4.954 394 2HB ARG 51 HB1 ARG 51 -3.613 -8.145 5.188 395 1HG ARG 51 HG2 ARG 51 -4.203 -8.719 7.466 396 2HG ARG 51 HG1 ARG 51 -5.658 -7.724 7.385 397 1HD ARG 51 HD2 ARG 51 -6.787 -9.508 6.599 398 2HD ARG 51 HD1 ARG 51 -5.771 -9.472 5.163 399 HE ARG 51 HE ARG 51 -4.245 -10.793 7.092 400 1HH1 ARG 51 HH21 ARG 51 -7.370 -11.216 5.599 401 2HH1 ARG 51 HH22 ARG 51 -7.351 -12.931 5.807 402 1HH2 ARG 51 HH11 ARG 51 -4.258 -13.019 7.351 403 2HH2 ARG 51 HH12 ARG 51 -5.611 -13.945 6.791 404 H ALA 52 HN ALA 52 -4.056 -5.202 3.916 405 HA ALA 52 HA ALA 52 -1.365 -5.536 2.936 406 1HB ALA 52 HB1 ALA 52 -3.796 -4.049 2.009 407 2HB ALA 52 HB3 ALA 52 -2.245 -3.787 1.212 408 3HB ALA 52 HB2 ALA 52 -2.957 -5.400 1.245 409 H ALA 53 HN ALA 53 -2.957 -3.010 4.769 410 HA ALA 53 HA ALA 53 -0.928 -1.000 4.137 411 1HB ALA 53 HB2 ALA 53 -3.401 -1.127 5.697 412 2HB ALA 53 HB1 ALA 53 -2.151 -0.145 6.452 413 3HB ALA 53 HB3 ALA 53 -2.702 0.228 4.818 414 H THR 54 HN THR 54 -1.533 -3.330 6.739 415 HA THR 54 HA THR 54 0.524 -2.345 8.502 416 HB THR 54 HB THR 54 -0.495 -5.195 8.223 417 HG1 THR 54 HG1 THR 54 -1.830 -4.424 10.043 418 1HG2 THR 54 HG21 THR 54 1.601 -4.223 9.720 419 2HG2 THR 54 HG23 THR 54 0.255 -4.138 10.858 420 3HG2 THR 54 HG22 THR 54 0.675 -5.675 10.100 421 H VAL 55 HN VAL 55 0.439 -4.738 5.898 422 HA VAL 55 HA VAL 55 3.179 -5.577 6.158 423 HB VAL 55 HB VAL 55 1.392 -5.577 3.690 424 1HG1 VAL 55 HG11 VAL 55 4.018 -6.003 3.641 425 2HG1 VAL 55 HG13 VAL 55 3.557 -7.575 4.294 426 3HG1 VAL 55 HG12 VAL 55 2.929 -7.051 2.732 427 1HG2 VAL 55 HG22 VAL 55 0.915 -6.839 6.100 428 2HG2 VAL 55 HG21 VAL 55 0.330 -7.404 4.535 429 3HG2 VAL 55 HG23 VAL 55 1.816 -8.069 5.213 430 H LEU 56 HN LEU 56 1.538 -3.009 4.384 431 HA LEU 56 HA LEU 56 3.827 -2.123 2.881 432 1HB LEU 56 HB2 LEU 56 1.100 -1.329 3.227 433 2HB LEU 56 HB1 LEU 56 2.117 0.087 3.501 434 HG LEU 56 HG LEU 56 3.332 -0.990 1.313 435 1HD1 LEU 56 HD13 LEU 56 1.470 -2.720 1.251 436 2HD1 LEU 56 HD12 LEU 56 0.367 -1.400 0.861 437 3HD1 LEU 56 HD11 LEU 56 1.688 -1.800 -0.236 438 1HD2 LEU 56 HD22 LEU 56 2.204 1.351 1.904 439 2HD2 LEU 56 HD21 LEU 56 2.580 0.918 0.236 440 3HD2 LEU 56 HD23 LEU 56 0.934 0.738 0.845 441 NH1 ARG 57 NH2 ARG 57 2.304 -0.156 13.029 442 NH2 ARG 57 NH1 ARG 57 3.868 1.420 13.434 443 H ARG 57 HN ARG 57 2.754 -1.669 6.174 444 HA ARG 57 HA ARG 57 4.330 0.651 6.792 445 1HB ARG 57 HB2 ARG 57 3.044 0.384 8.638 446 2HB ARG 57 HB1 ARG 57 2.680 -1.286 8.207 447 1HG ARG 57 HG2 ARG 57 4.747 -2.057 9.222 448 2HG ARG 57 HG1 ARG 57 5.257 -0.394 9.532 449 1HD ARG 57 HD2 ARG 57 2.594 -0.963 10.598 450 2HD ARG 57 HD1 ARG 57 3.833 -2.010 11.292 451 HE ARG 57 HE ARG 57 4.957 0.514 11.429 452 1HH1 ARG 57 HH21 ARG 57 1.948 -0.914 12.484 453 2HH1 ARG 57 HH22 ARG 57 1.797 0.157 13.831 454 1HH2 ARG 57 HH11 ARG 57 4.725 1.876 13.195 455 2HH2 ARG 57 HH12 ARG 57 3.347 1.721 14.233 456 H GLN 58 HN GLN 58 4.883 -2.851 6.958 457 HA GLN 58 HA GLN 58 7.527 -2.737 8.057 458 1HB GLN 58 HB2 GLN 58 5.846 -4.770 7.406 459 2HB GLN 58 HB1 GLN 58 6.948 -4.834 6.030 460 1HG GLN 58 HG2 GLN 58 8.802 -5.315 7.365 461 2HG GLN 58 HG1 GLN 58 8.065 -4.621 8.811 462 1HE2 GLN 58 HE22 GLN 58 7.838 -8.519 8.484 463 2HE2 GLN 58 HE21 GLN 58 9.072 -7.517 7.889 464 H PHE 59 HN PHE 59 6.234 -2.295 4.816 465 HA PHE 59 HA PHE 59 8.633 -2.511 3.316 466 1HB PHE 59 HB2 PHE 59 6.284 -2.236 2.385 467 2HB PHE 59 HB1 PHE 59 6.412 -0.521 2.774 468 HD1 PHE 59 HD1 PHE 59 7.809 -3.261 0.724 469 HD2 PHE 59 HD2 PHE 59 7.823 0.965 1.486 470 HE1 PHE 59 HE1 PHE 59 9.105 -2.893 -1.354 471 HE2 PHE 59 HE2 PHE 59 9.117 1.330 -0.596 472 HZ PHE 59 HZ PHE 59 9.760 -0.595 -2.015 473 OH TYR 60 OH TYR 60 5.497 3.951 9.832 474 H TYR 60 HN TYR 60 7.127 0.466 4.650 475 HA TYR 60 HA TYR 60 9.654 1.912 4.185 476 1HB TYR 60 HB2 TYR 60 8.445 3.849 4.452 477 2HB TYR 60 HB1 TYR 60 7.114 2.767 4.036 478 HD1 TYR 60 HD2 TYR 60 5.863 1.603 5.942 479 HD2 TYR 60 HD1 TYR 60 8.508 4.931 6.554 480 HE1 TYR 60 HE2 TYR 60 4.822 2.024 8.152 481 HE2 TYR 60 HE1 TYR 60 7.469 5.352 8.764 482 HH TYR 60 HH TYR 60 6.166 3.820 10.508 483 H SER 61 HN SER 61 8.836 -0.221 6.518 484 HA SER 61 HA SER 61 9.695 1.400 8.823 485 1HB SER 61 HB2 SER 61 7.918 -0.296 9.115 486 2HB SER 61 HB1 SER 61 9.045 -1.556 8.618 487 HG SER 61 HG SER 61 9.637 -1.589 10.627 488 H HIS 62 HN HIS 62 10.796 -1.705 7.410 489 HA HIS 62 HA HIS 62 13.468 -1.236 8.580 490 1HB HIS 62 HB2 HIS 62 12.115 -3.491 8.469 491 2HB HIS 62 HB1 HIS 62 12.805 -3.595 6.849 492 HD1 HIS 62 HD1 HIS 62 15.178 -4.416 6.689 493 HD2 HIS 62 HD2 HIS 62 14.209 -3.204 10.558 494 HE1 HIS 62 HE1 HIS 62 17.154 -5.032 8.149 495 H HIS 63 HN HIS 63 11.959 -1.426 5.359 496 HA HIS 63 HA HIS 63 14.545 -1.223 4.020 497 1HB HIS 63 HB2 HIS 63 11.858 -0.717 2.747 498 2HB HIS 63 HB1 HIS 63 13.343 -1.257 1.971 499 HD1 HIS 63 HD1 HIS 63 14.000 -3.747 2.218 500 HD2 HIS 63 HD2 HIS 63 10.447 -2.765 4.171 501 HE1 HIS 63 HE1 HIS 63 12.890 -5.940 2.835 502 H GLU 64 HN GLU 64 12.868 1.075 5.725 503 HA GLU 64 HA GLU 64 12.966 3.297 3.888 504 1HB GLU 64 HB2 GLU 64 11.690 4.056 5.594 505 2HB GLU 64 HB1 GLU 64 12.351 2.869 6.716 506 1HG GLU 64 HG2 GLU 64 14.306 4.266 7.120 507 2HG GLU 64 HG1 GLU 64 13.781 5.413 5.883 508 H LYS 65 HN LYS 65 15.311 1.774 6.006 509 HA LYS 65 HA LYS 65 17.327 3.770 5.057 510 1HB LYS 65 HB2 LYS 65 16.592 3.008 7.770 511 2HB LYS 65 HB1 LYS 65 18.306 2.724 7.460 512 1HG LYS 65 HG2 LYS 65 16.838 5.321 6.911 513 2HG LYS 65 HG1 LYS 65 17.895 5.024 8.291 514 1HD LYS 65 HD2 LYS 65 19.199 4.294 5.798 515 2HD LYS 65 HD1 LYS 65 18.675 5.980 5.775 516 1HE LYS 65 HE2 LYS 65 20.814 6.082 6.764 517 2HE LYS 65 HE1 LYS 65 19.716 6.120 8.144 518 1HZ LYS 65 HZ2 LYS 65 20.780 3.569 7.107 519 2HZ LYS 65 HZ1 LYS 65 21.669 4.502 8.214 520 3HZ LYS 65 HZ3 LYS 65 20.140 3.908 8.644 521 H ASP 66 HN ASP 66 16.572 1.096 3.972 522 HA ASP 66 HA ASP 66 18.929 -0.563 4.658 523 1HB ASP 66 HB2 ASP 66 16.334 -1.005 3.286 524 2HB ASP 66 HB1 ASP 66 17.693 -1.927 2.658 525 H THR 67 HN THR 67 20.653 -0.840 3.284 526 HA THR 67 HA THR 67 21.047 1.114 1.176 527 HB THR 67 HB THR 67 22.723 -1.356 1.648 528 HG1 THR 67 HG1 THR 67 22.307 0.893 3.222 529 1HG2 THR 67 HG23 THR 67 22.948 1.082 0.090 530 2HG2 THR 67 HG22 THR 67 24.288 0.930 1.228 531 3HG2 THR 67 HG21 THR 67 23.969 -0.356 0.063 532 NH1 ARG 68 NH2 ARG 68 19.210 -7.539 3.223 533 NH2 ARG 68 NH1 ARG 68 21.398 -7.335 3.746 534 H ARG 68 HN ARG 68 20.010 -2.236 1.298 535 HA ARG 68 HA ARG 68 20.493 -3.004 -1.386 536 1HB ARG 68 HB2 ARG 68 18.605 -3.840 0.758 537 2HB ARG 68 HB1 ARG 68 18.176 -4.301 -0.889 538 1HG ARG 68 HG2 ARG 68 20.100 -5.601 -1.170 539 2HG ARG 68 HG1 ARG 68 20.972 -4.765 0.115 540 1HD ARG 68 HD2 ARG 68 18.682 -5.855 1.342 541 2HD ARG 68 HD1 ARG 68 19.310 -7.126 0.292 542 HE ARG 68 HE ARG 68 21.560 -6.175 1.591 543 1HH1 ARG 68 HH21 ARG 68 18.443 -7.382 2.603 544 2HH1 ARG 68 HH22 ARG 68 19.058 -8.020 4.086 545 1HH2 ARG 68 HH11 ARG 68 22.321 -7.017 3.524 546 2HH2 ARG 68 HH12 ARG 68 21.230 -7.821 4.604 547 H CYS 69 HN CYS 69 17.704 -1.274 0.020 548 HA CYS 69 HA CYS 69 16.403 -1.105 -2.606 549 1HB CYS 69 HB2 CYS 69 15.513 -0.995 0.029 550 2HB CYS 69 HB1 CYS 69 15.333 0.660 -0.548 551 H LEU 70 HN LEU 70 18.609 0.860 -0.769 552 HA LEU 70 HA LEU 70 17.853 3.388 -1.926 553 1HB LEU 70 HB2 LEU 70 20.355 2.387 -0.568 554 2HB LEU 70 HB1 LEU 70 20.280 4.006 -1.263 555 HG LEU 70 HG LEU 70 18.378 2.891 0.825 556 1HD1 LEU 70 HD12 LEU 70 20.816 4.635 0.933 557 2HD1 LEU 70 HD11 LEU 70 19.503 4.932 2.073 558 3HD1 LEU 70 HD13 LEU 70 20.303 3.361 2.041 559 1HD2 LEU 70 HD21 LEU 70 18.503 5.480 -0.713 560 2HD2 LEU 70 HD23 LEU 70 17.105 4.458 -0.378 561 3HD2 LEU 70 HD22 LEU 70 17.805 5.443 0.907 562 H GLY 71 HN GLY 71 21.069 1.992 -2.530 563 1HA GLY 71 HA2 GLY 71 21.389 1.132 -4.942 564 2HA GLY 71 HA1 GLY 71 20.635 2.657 -5.409 565 H ALA 72 HN ALA 72 22.936 2.567 -6.542 566 HA ALA 72 HA ALA 72 24.942 3.777 -4.692 567 1HB ALA 72 HB2 ALA 72 25.335 1.659 -6.294 568 2HB ALA 72 HB1 ALA 72 25.707 2.939 -7.449 569 3HB ALA 72 HB3 ALA 72 26.618 2.816 -5.944 570 H THR 73 HN THR 73 22.635 5.186 -5.991 571 HA THR 73 HA THR 73 24.244 7.190 -7.533 572 HB THR 73 HB THR 73 21.454 7.409 -8.163 573 HG1 THR 73 HG1 THR 73 21.251 5.249 -7.652 574 1HG2 THR 73 HG23 THR 73 23.853 6.494 -9.771 575 2HG2 THR 73 HG22 THR 73 22.309 7.005 -10.451 576 3HG2 THR 73 HG21 THR 73 23.312 8.161 -9.576 577 H ALA 74 HN ALA 74 24.059 9.297 -6.805 578 HA ALA 74 HA ALA 74 22.854 9.772 -4.229 579 1HB ALA 74 HB2 ALA 74 24.841 11.020 -5.218 580 2HB ALA 74 HB1 ALA 74 23.686 11.890 -6.227 581 3HB ALA 74 HB3 ALA 74 23.609 12.037 -4.471 582 H GLN 75 HN GLN 75 21.801 10.350 -7.547 583 HA GLN 75 HA GLN 75 19.618 12.094 -6.950 584 1HB GLN 75 HB2 GLN 75 19.958 10.071 -9.187 585 2HB GLN 75 HB1 GLN 75 18.702 11.310 -9.141 586 1HG GLN 75 HG2 GLN 75 21.488 12.255 -8.715 587 2HG GLN 75 HG1 GLN 75 21.096 11.693 -10.339 588 1HE2 GLN 75 HE22 GLN 75 18.881 14.395 -11.039 589 2HE2 GLN 75 HE21 GLN 75 19.363 12.838 -11.513 590 H GLN 76 HN GLN 76 19.943 8.586 -6.892 591 HA GLN 76 HA GLN 76 17.155 7.980 -6.583 592 1HB GLN 76 HB2 GLN 76 19.717 6.558 -6.371 593 2HB GLN 76 HB1 GLN 76 18.477 5.947 -5.273 594 1HG GLN 76 HG2 GLN 76 17.749 6.508 -8.130 595 2HG GLN 76 HG1 GLN 76 18.615 5.021 -7.740 596 1HE2 GLN 76 HE22 GLN 76 14.836 4.589 -7.405 597 2HE2 GLN 76 HE21 GLN 76 15.779 5.277 -8.638 598 H PHE 77 HN PHE 77 19.641 9.015 -4.353 599 HA PHE 77 HA PHE 77 18.409 8.218 -1.905 600 1HB PHE 77 HB2 PHE 77 20.607 9.916 -2.769 601 2HB PHE 77 HB1 PHE 77 19.753 10.625 -1.400 602 HD1 PHE 77 HD1 PHE 77 21.394 7.505 -2.610 603 HD2 PHE 77 HD2 PHE 77 20.007 9.739 0.788 604 HE1 PHE 77 HE1 PHE 77 22.515 5.892 -1.092 605 HE2 PHE 77 HE2 PHE 77 21.125 8.127 2.305 606 HZ PHE 77 HZ PHE 77 22.380 6.203 1.364 607 H HIS 78 HN HIS 78 18.030 11.136 -3.891 608 HA HIS 78 HA HIS 78 16.300 12.448 -1.951 609 1HB HIS 78 HB2 HIS 78 17.632 13.824 -3.417 610 2HB HIS 78 HB1 HIS 78 16.949 13.047 -4.845 611 HD1 HIS 78 HD1 HIS 78 15.771 15.111 -1.863 612 HD2 HIS 78 HD2 HIS 78 14.688 14.321 -5.810 613 HE1 HIS 78 HE1 HIS 78 13.834 16.650 -2.394 614 NH1 ARG 79 NH2 ARG 79 15.353 7.205 -10.451 615 NH2 ARG 79 NH1 ARG 79 17.066 8.659 -10.700 616 H ARG 79 HN ARG 79 15.734 10.770 -5.060 617 HA ARG 79 HA ARG 79 12.890 11.289 -4.994 618 1HB ARG 79 HB2 ARG 79 12.763 9.597 -6.813 619 2HB ARG 79 HB1 ARG 79 13.989 10.828 -7.110 620 1HG ARG 79 HG2 ARG 79 15.755 9.353 -6.464 621 2HG ARG 79 HG1 ARG 79 14.618 8.163 -5.826 622 1HD ARG 79 HD2 ARG 79 14.775 7.185 -7.869 623 2HD ARG 79 HD1 ARG 79 13.733 8.496 -8.417 624 HE ARG 79 HE ARG 79 16.337 9.521 -8.525 625 1HH1 ARG 79 HH21 ARG 79 14.581 6.849 -9.929 626 2HH1 ARG 79 HH22 ARG 79 15.582 6.797 -11.335 627 1HH2 ARG 79 HH11 ARG 79 17.612 9.425 -10.362 628 2HH2 ARG 79 HH12 ARG 79 17.286 8.240 -11.581 629 H HIS 80 HN HIS 80 14.858 8.939 -3.387 630 HA HIS 80 HA HIS 80 12.582 7.100 -2.972 631 1HB HIS 80 HB2 HIS 80 14.558 5.870 -3.116 632 2HB HIS 80 HB1 HIS 80 15.503 7.097 -2.275 633 HD1 HIS 80 HD1 HIS 80 13.201 4.195 -1.670 634 HD2 HIS 80 HD2 HIS 80 15.381 6.956 0.570 635 HE1 HIS 80 HE1 HIS 80 13.187 3.354 0.722 636 H LYS 81 HN LYS 81 14.449 9.541 -1.244 637 HA LYS 81 HA LYS 81 13.510 9.166 1.385 638 1HB LYS 81 HB2 LYS 81 14.531 11.450 -0.209 639 2HB LYS 81 HB1 LYS 81 13.601 11.874 1.229 640 1HG LYS 81 HG2 LYS 81 15.357 9.731 1.922 641 2HG LYS 81 HG1 LYS 81 16.305 10.961 1.085 642 1HD LYS 81 HD2 LYS 81 16.021 12.499 2.745 643 2HD LYS 81 HD1 LYS 81 14.362 11.998 3.062 644 1HE LYS 81 HE2 LYS 81 16.785 10.370 3.870 645 2HE LYS 81 HE1 LYS 81 15.959 11.496 4.947 646 1HZ LYS 81 HZ3 LYS 81 13.929 10.026 3.963 647 2HZ LYS 81 HZ2 LYS 81 15.167 8.869 4.071 648 3HZ LYS 81 HZ1 LYS 81 14.697 9.746 5.450 649 H GLN 82 HN GLN 82 11.907 10.557 -1.416 650 HA GLN 82 HA GLN 82 9.687 11.685 0.072 651 1HB GLN 82 HB2 GLN 82 10.384 11.241 -2.788 652 2HB GLN 82 HB1 GLN 82 8.666 11.378 -2.406 653 1HG GLN 82 HG2 GLN 82 10.234 13.377 -0.987 654 2HG GLN 82 HG1 GLN 82 10.457 13.499 -2.733 655 1HE2 GLN 82 HE22 GLN 82 6.630 13.940 -1.264 656 2HE2 GLN 82 HE21 GLN 82 7.719 12.933 -0.437 657 H LEU 83 HN LEU 83 10.263 8.631 -1.653 658 HA LEU 83 HA LEU 83 7.674 7.530 -1.546 659 1HB LEU 83 HB2 LEU 83 9.623 6.459 -2.669 660 2HB LEU 83 HB1 LEU 83 10.292 6.065 -1.086 661 HG LEU 83 HG LEU 83 7.480 5.236 -1.514 662 1HD1 LEU 83 HD11 LEU 83 9.437 4.662 -3.511 663 2HD1 LEU 83 HD13 LEU 83 9.141 3.175 -2.610 664 3HD1 LEU 83 HD12 LEU 83 7.799 4.021 -3.382 665 1HD2 LEU 83 HD22 LEU 83 9.988 3.938 -0.398 666 2HD2 LEU 83 HD21 LEU 83 8.664 4.642 0.529 667 3HD2 LEU 83 HD23 LEU 83 8.400 3.174 -0.409 668 H ILE 84 HN ILE 84 10.074 7.905 0.999 669 HA ILE 84 HA ILE 84 8.867 6.136 2.911 670 HB ILE 84 HB ILE 84 10.363 8.680 3.583 671 1HG1 ILE 84 HG12 ILE 84 11.757 7.589 1.971 672 2HG1 ILE 84 HG11 ILE 84 12.389 7.112 3.547 673 1HG2 ILE 84 HG21 ILE 84 9.292 6.480 5.078 674 2HG2 ILE 84 HG23 ILE 84 11.051 6.418 5.171 675 3HG2 ILE 84 HG22 ILE 84 10.192 7.873 5.677 676 1HD1 ILE 84 HD13 ILE 84 10.604 5.138 3.218 677 2HD1 ILE 84 HD12 ILE 84 10.932 5.486 1.520 678 3HD1 ILE 84 HD11 ILE 84 12.250 5.024 2.597 679 NH1 ARG 85 NH2 ARG 85 11.323 11.330 5.671 680 NH2 ARG 85 NH1 ARG 85 11.701 13.550 5.861 681 H ARG 85 HN ARG 85 8.438 9.639 2.356 682 HA ARG 85 HA ARG 85 6.585 10.040 4.506 683 1HB ARG 85 HB2 ARG 85 7.472 11.553 2.115 684 2HB ARG 85 HB1 ARG 85 5.888 11.986 2.755 685 1HG ARG 85 HG2 ARG 85 7.602 13.361 3.819 686 2HG ARG 85 HG1 ARG 85 6.903 12.262 5.009 687 1HD ARG 85 HD2 ARG 85 8.819 10.983 5.157 688 2HD ARG 85 HD1 ARG 85 9.297 11.321 3.492 689 HE ARG 85 HE ARG 85 9.535 13.773 4.741 690 1HH1 ARG 85 HH21 ARG 85 10.753 10.564 5.377 691 2HH1 ARG 85 HH22 ARG 85 12.197 11.152 6.125 692 1HH2 ARG 85 HH11 ARG 85 11.413 14.496 5.713 693 2HH2 ARG 85 HH12 ARG 85 12.574 13.358 6.310 694 H PHE 86 HN PHE 86 6.006 9.617 1.014 695 HA PHE 86 HA PHE 86 3.216 9.756 1.014 696 1HB PHE 86 HB2 PHE 86 5.253 8.923 -0.786 697 2HB PHE 86 HB1 PHE 86 4.010 7.671 -0.782 698 HD1 PHE 86 HD2 PHE 86 1.514 8.605 -0.770 699 HD2 PHE 86 HD1 PHE 86 4.944 10.766 -2.186 700 HE1 PHE 86 HE2 PHE 86 0.037 10.057 -2.128 701 HE2 PHE 86 HE1 PHE 86 3.467 12.221 -3.543 702 HZ PHE 86 HZ PHE 86 1.012 11.869 -3.515 703 H LEU 87 HN LEU 87 5.184 6.793 1.426 704 HA LEU 87 HA LEU 87 3.009 5.005 1.760 705 1HB LEU 87 HB2 LEU 87 5.673 4.682 1.650 706 2HB LEU 87 HB1 LEU 87 5.454 4.547 3.395 707 HG LEU 87 HG LEU 87 3.580 3.037 1.624 708 1HD1 LEU 87 HD11 LEU 87 6.444 2.239 2.216 709 2HD1 LEU 87 HD13 LEU 87 5.212 1.137 1.600 710 3HD1 LEU 87 HD12 LEU 87 5.732 2.510 0.624 711 1HD2 LEU 87 HD21 LEU 87 3.417 3.147 4.141 712 2HD2 LEU 87 HD23 LEU 87 3.569 1.511 3.500 713 3HD2 LEU 87 HD22 LEU 87 4.968 2.309 4.220 714 H LYS 88 HN LYS 88 4.725 6.975 4.187 715 HA LYS 88 HA LYS 88 3.511 5.903 6.506 716 1HB LYS 88 HB2 LYS 88 4.569 8.642 5.828 717 2HB LYS 88 HB1 LYS 88 3.857 8.310 7.406 718 1HG LYS 88 HG2 LYS 88 5.450 6.330 7.574 719 2HG LYS 88 HG1 LYS 88 6.268 6.977 6.152 720 1HD LYS 88 HD2 LYS 88 6.289 9.216 7.533 721 2HD LYS 88 HD1 LYS 88 6.073 8.141 8.914 722 1HE LYS 88 HE2 LYS 88 8.064 6.856 7.538 723 2HE LYS 88 HE1 LYS 88 8.438 8.545 7.197 724 1HZ LYS 88 HZ1 LYS 88 7.816 7.672 9.943 725 2HZ LYS 88 HZ3 LYS 88 9.380 7.479 9.315 726 3HZ LYS 88 HZ2 LYS 88 8.696 9.030 9.426 727 NH1 ARG 89 NH2 ARG 89 -2.117 14.229 2.315 728 NH2 ARG 89 NH1 ARG 89 -4.126 13.402 1.698 729 H ARG 89 HN ARG 89 2.346 8.511 4.370 730 HA ARG 89 HA ARG 89 0.010 9.078 5.966 731 1HB ARG 89 HB2 ARG 89 0.790 10.769 4.454 732 2HB ARG 89 HB1 ARG 89 0.718 9.663 3.084 733 1HG ARG 89 HG2 ARG 89 -1.654 9.644 3.078 734 2HG ARG 89 HG1 ARG 89 -1.742 10.353 4.692 735 1HD ARG 89 HD2 ARG 89 -1.028 12.480 3.913 736 2HD ARG 89 HD1 ARG 89 -0.472 11.819 2.378 737 HE ARG 89 HE ARG 89 -3.202 11.257 2.448 738 1HH1 ARG 89 HH21 ARG 89 -1.198 14.103 2.685 739 2HH1 ARG 89 HH22 ARG 89 -2.417 15.140 2.034 740 1HH2 ARG 89 HH11 ARG 89 -4.755 12.632 1.598 741 2HH2 ARG 89 HH12 ARG 89 -4.409 14.318 1.413 742 H LEU 90 HN LEU 90 0.662 6.859 3.308 743 HA LEU 90 HA LEU 90 -2.106 6.192 2.807 744 1HB LEU 90 HB2 LEU 90 -0.394 5.821 1.105 745 2HB LEU 90 HB1 LEU 90 0.456 4.703 2.171 746 HG LEU 90 HG LEU 90 -1.399 3.146 2.122 747 1HD1 LEU 90 HD13 LEU 90 -2.786 5.498 0.917 748 2HD1 LEU 90 HD12 LEU 90 -3.255 3.901 0.332 749 3HD1 LEU 90 HD11 LEU 90 -3.399 4.289 2.046 750 1HD2 LEU 90 HD22 LEU 90 -0.616 4.236 -0.594 751 2HD2 LEU 90 HD21 LEU 90 0.093 2.867 0.261 752 3HD2 LEU 90 HD23 LEU 90 -1.540 2.747 -0.394 753 H ASP 91 HN ASP 91 0.162 5.216 5.245 754 HA ASP 91 HA ASP 91 -0.993 2.619 5.787 755 1HB ASP 91 HB2 ASP 91 1.317 3.629 6.503 756 2HB ASP 91 HB1 ASP 91 0.409 4.263 7.875 757 NH1 ARG 92 NH2 ARG 92 -0.926 3.438 12.841 758 NH2 ARG 92 NH1 ARG 92 0.155 5.044 14.002 759 H ARG 92 HN ARG 92 -1.375 5.812 7.371 760 HA ARG 92 HA ARG 92 -3.413 4.751 9.170 761 1HB ARG 92 HB2 ARG 92 -1.764 7.040 9.064 762 2HB ARG 92 HB1 ARG 92 -3.423 7.631 8.995 763 1HG ARG 92 HG2 ARG 92 -2.587 7.402 11.333 764 2HG ARG 92 HG1 ARG 92 -3.992 6.388 11.016 765 1HD ARG 92 HD2 ARG 92 -2.831 4.530 11.514 766 2HD ARG 92 HD1 ARG 92 -1.574 4.952 10.353 767 HE ARG 92 HE ARG 92 -1.021 6.589 12.500 768 1HH1 ARG 92 HH21 ARG 92 -1.552 3.156 12.118 769 2HH1 ARG 92 HH22 ARG 92 -0.493 2.746 13.420 770 1HH2 ARG 92 HH11 ARG 92 0.359 6.009 14.169 771 2HH2 ARG 92 HH12 ARG 92 0.580 4.338 14.567 772 H ASN 93 HN ASN 93 -3.457 6.393 6.059 773 HA ASN 93 HA ASN 93 -6.250 7.170 6.279 774 1HB ASN 93 HB2 ASN 93 -4.129 7.311 4.242 775 2HB ASN 93 HB1 ASN 93 -5.751 7.100 3.585 776 1HD2 ASN 93 HD22 ASN 93 -5.238 10.759 3.984 777 2HD2 ASN 93 HD21 ASN 93 -4.554 9.524 3.042 778 H LEU 94 HN LEU 94 -4.568 4.529 4.561 779 HA LEU 94 HA LEU 94 -7.121 3.392 3.694 780 1HB LEU 94 HB2 LEU 94 -5.263 3.137 2.207 781 2HB LEU 94 HB1 LEU 94 -4.245 2.479 3.485 782 HG LEU 94 HG LEU 94 -6.686 0.920 3.191 783 1HD1 LEU 94 HD12 LEU 94 -5.389 1.819 0.746 784 2HD1 LEU 94 HD11 LEU 94 -5.303 0.066 0.915 785 3HD1 LEU 94 HD13 LEU 94 -6.867 0.879 0.946 786 1HD2 LEU 94 HD21 LEU 94 -3.704 0.445 3.066 787 2HD2 LEU 94 HD23 LEU 94 -4.826 -0.009 4.348 788 3HD2 LEU 94 HD22 LEU 94 -4.861 -0.860 2.805 789 CH2 TRP 95 CH2 TRP 95 -3.894 -2.282 12.436 790 H TRP 95 HN TRP 95 -4.578 2.383 6.021 791 HA TRP 95 HA TRP 95 -6.223 0.121 6.886 792 1HB TRP 95 HB2 TRP 95 -4.144 -0.571 7.392 793 2HB TRP 95 HB1 TRP 95 -3.499 1.047 7.259 794 HD1 TRP 95 HD1 TRP 95 -3.935 2.609 9.518 795 HE1 TRP 95 HE1 TRP 95 -3.714 1.932 11.995 796 HE3 TRP 95 HE3 TRP 95 -4.264 -2.449 9.055 797 HZ2 TRP 95 HZ2 TRP 95 -3.681 -0.468 13.573 798 HZ3 TRP 95 HZ3 TRP 95 -4.128 -3.910 11.049 799 HH2 TRP 95 HH2 TRP 95 -3.833 -2.924 13.302 800 H GLY 96 HN GLY 96 -5.999 3.454 7.727 801 1HA GLY 96 HA2 GLY 96 -6.676 3.417 10.469 802 2HA GLY 96 HA1 GLY 96 -7.134 4.700 9.357 803 H LEU 97 HN LEU 97 -8.877 3.589 7.663 804 HA LEU 97 HA LEU 97 -11.175 2.978 9.413 805 1HB LEU 97 HB2 LEU 97 -12.525 3.556 7.537 806 2HB LEU 97 HB1 LEU 97 -11.175 4.689 7.500 807 HG LEU 97 HG LEU 97 -10.159 2.608 6.046 808 1HD1 LEU 97 HD12 LEU 97 -13.041 2.290 6.111 809 2HD1 LEU 97 HD11 LEU 97 -12.492 2.621 4.469 810 3HD1 LEU 97 HD13 LEU 97 -11.826 1.255 5.364 811 1HD2 LEU 97 HD22 LEU 97 -11.673 5.101 5.266 812 2HD2 LEU 97 HD21 LEU 97 -9.932 4.819 5.249 813 3HD2 LEU 97 HD23 LEU 97 -10.961 4.050 4.042 814 H ALA 98 HN ALA 98 -8.870 1.048 8.272 815 HA ALA 98 HA ALA 98 -10.562 -0.997 7.002 816 1HB ALA 98 HB2 ALA 98 -8.107 -0.284 6.401 817 2HB ALA 98 HB1 ALA 98 -7.679 -1.405 7.689 818 3HB ALA 98 HB3 ALA 98 -8.584 -1.970 6.291 819 H GLY 99 HN GLY 99 -8.695 -0.608 10.022 820 1HA GLY 99 HA2 GLY 99 -10.192 -2.058 11.768 821 2HA GLY 99 HA1 GLY 99 -9.339 -3.331 10.885 822 H LEU 100 HN LEU 100 -9.072 -0.975 13.317 823 HA LEU 100 HA LEU 100 -6.158 -0.817 13.289 824 1HB LEU 100 HB2 LEU 100 -8.124 0.103 15.399 825 2HB LEU 100 HB1 LEU 100 -6.417 0.518 15.340 826 HG LEU 100 HG LEU 100 -7.367 2.391 14.352 827 1HD1 LEU 100 HD13 LEU 100 -5.773 1.077 12.787 828 2HD1 LEU 100 HD12 LEU 100 -7.229 0.703 11.864 829 3HD1 LEU 100 HD11 LEU 100 -6.736 2.378 12.096 830 1HD2 LEU 100 HD22 LEU 100 -9.616 0.786 14.131 831 2HD2 LEU 100 HD21 LEU 100 -9.498 2.464 13.599 832 3HD2 LEU 100 HD23 LEU 100 -9.220 1.153 12.452 833 H ASN 101 HN ASN 101 -8.429 -2.058 15.799 834 HA ASN 101 HA ASN 101 -6.183 -3.334 17.122 835 1HB ASN 101 HB2 ASN 101 -8.363 -2.375 18.173 836 2HB ASN 101 HB1 ASN 101 -9.047 -3.953 17.801 837 1HD2 ASN 101 HD22 ASN 101 -6.473 -3.569 20.898 838 2HD2 ASN 101 HD21 ASN 101 -6.955 -2.233 19.969 839 H SER 102 HN SER 102 -9.231 -5.052 16.273 840 HA SER 102 HA SER 102 -7.831 -7.554 16.066 841 1HB SER 102 HB2 SER 102 -10.459 -7.140 14.689 842 2HB SER 102 HB1 SER 102 -9.907 -8.506 15.656 843 HG SER 102 HG SER 102 -10.684 -7.559 17.359 844 H CYS 103 HN CYS 103 -6.285 -7.774 14.491 845 HA CYS 103 HA CYS 103 -7.124 -7.785 11.715 846 1HB CYS 103 HB2 CYS 103 -5.966 -5.374 12.846 847 2HB CYS 103 HB1 CYS 103 -4.935 -6.015 11.570 848 HA PRO 104 HA PRO 104 -3.548 -10.447 13.186 849 1HB PRO 104 HB2 PRO 104 -4.870 -12.734 12.125 850 2HB PRO 104 HB1 PRO 104 -4.654 -12.320 13.830 851 1HG PRO 104 HG2 PRO 104 -7.091 -12.201 12.238 852 2HG PRO 104 HG1 PRO 104 -6.901 -11.960 13.981 853 1HD PRO 104 HD2 PRO 104 -7.408 -9.955 12.002 854 2HD PRO 104 HD1 PRO 104 -7.094 -9.710 13.731 855 H VAL 105 HN VAL 105 -2.437 -9.341 11.357 856 HA VAL 105 HA VAL 105 -2.947 -10.290 8.633 857 HB VAL 105 HB VAL 105 -0.394 -8.898 9.422 858 1HG1 VAL 105 HG13 VAL 105 -2.259 -8.800 7.037 859 2HG1 VAL 105 HG12 VAL 105 -0.824 -7.791 7.223 860 3HG1 VAL 105 HG11 VAL 105 -0.659 -9.542 7.103 861 1HG2 VAL 105 HG23 VAL 105 -3.193 -7.820 9.542 862 2HG2 VAL 105 HG22 VAL 105 -1.804 -7.439 10.561 863 3HG2 VAL 105 HG21 VAL 105 -1.914 -6.772 8.930 864 H LYS 106 HN LYS 106 -2.506 -12.455 8.345 865 HA LYS 106 HA LYS 106 0.241 -13.325 8.315 866 1HB LYS 106 HB2 LYS 106 -0.247 -13.404 10.788 867 2HB LYS 106 HB1 LYS 106 -1.497 -14.602 10.448 868 1HG LYS 106 HG2 LYS 106 0.247 -16.053 10.813 869 2HG LYS 106 HG1 LYS 106 0.544 -15.731 9.104 870 1HD LYS 106 HD2 LYS 106 1.854 -13.630 10.244 871 2HD LYS 106 HD1 LYS 106 2.081 -14.864 11.482 872 1HE LYS 106 HE2 LYS 106 2.556 -15.584 8.608 873 2HE LYS 106 HE1 LYS 106 3.793 -14.677 9.479 874 1HZ LYS 106 HZ3 LYS 106 2.586 -17.180 10.508 875 2HZ LYS 106 HZ2 LYS 106 4.011 -17.147 9.587 876 3HZ LYS 106 HZ1 LYS 106 3.955 -16.373 11.099 877 H GLU 107 HN GLU 107 -0.195 -14.131 6.262 878 HA GLU 107 HA GLU 107 -1.421 -16.734 6.062 879 1HB GLU 107 HB2 GLU 107 -3.462 -15.244 6.169 880 2HB GLU 107 HB1 GLU 107 -2.903 -14.472 4.685 881 1HG GLU 107 HG2 GLU 107 -2.761 -17.038 3.894 882 2HG GLU 107 HG1 GLU 107 -4.043 -17.191 5.092 883 H ALA 108 HN ALA 108 1.069 -15.880 5.417 884 HA ALA 108 HA ALA 108 1.301 -16.657 2.676 885 1HB ALA 108 HB2 ALA 108 0.402 -14.284 2.445 886 2HB ALA 108 HB1 ALA 108 1.922 -13.738 3.150 887 3HB ALA 108 HB3 ALA 108 1.924 -14.603 1.618 888 H ASP 109 HN ASP 109 3.464 -16.988 2.107 889 HA ASP 109 HA ASP 109 5.359 -17.087 4.338 890 1HB ASP 109 HB2 ASP 109 5.575 -17.816 1.401 891 2HB ASP 109 HB1 ASP 109 6.918 -17.980 2.533 892 H GLN 110 HN GLN 110 6.010 -15.915 1.042 893 HA GLN 110 HA GLN 110 6.459 -13.197 1.857 894 1HB GLN 110 HB2 GLN 110 8.909 -13.137 1.518 895 2HB GLN 110 HB1 GLN 110 8.470 -14.162 2.886 896 1HG GLN 110 HG2 GLN 110 8.391 -16.020 0.987 897 2HG GLN 110 HG1 GLN 110 9.517 -14.914 0.203 898 1HE2 GLN 110 HE22 GLN 110 12.136 -15.469 2.569 899 2HE2 GLN 110 HE21 GLN 110 11.542 -14.385 1.406 900 H SER 111 HN SER 111 5.298 -12.649 0.009 901 HA SER 111 HA SER 111 6.059 -13.762 -2.599 902 1HB SER 111 HB2 SER 111 4.041 -12.953 -3.312 903 2HB SER 111 HB1 SER 111 3.707 -12.866 -1.586 904 HG SER 111 HG SER 111 3.669 -10.784 -1.759 905 H THR 112 HN THR 112 5.768 -11.502 -4.216 906 HA THR 112 HA THR 112 8.100 -9.843 -3.353 907 HB THR 112 HB THR 112 8.793 -9.672 -5.649 908 HG1 THR 112 HG1 THR 112 7.094 -9.595 -6.915 909 1HG2 THR 112 HG21 THR 112 8.830 -12.014 -4.234 910 2HG2 THR 112 HG23 THR 112 8.081 -12.535 -5.743 911 3HG2 THR 112 HG22 THR 112 9.669 -11.767 -5.766 912 H LEU 113 HN LEU 113 7.719 -7.679 -3.255 913 HA LEU 113 HA LEU 113 5.108 -6.633 -3.314 914 1HB LEU 113 HB2 LEU 113 7.163 -5.639 -2.213 915 2HB LEU 113 HB1 LEU 113 7.611 -5.010 -3.797 916 HG LEU 113 HG LEU 113 5.330 -3.925 -3.906 917 1HD1 LEU 113 HD13 LEU 113 5.024 -5.476 -1.505 918 2HD1 LEU 113 HD12 LEU 113 4.829 -3.766 -1.115 919 3HD1 LEU 113 HD11 LEU 113 3.816 -4.511 -2.349 920 1HD2 LEU 113 HD22 LEU 113 7.658 -3.036 -2.757 921 2HD2 LEU 113 HD21 LEU 113 6.235 -2.032 -3.035 922 3HD2 LEU 113 HD23 LEU 113 6.495 -2.777 -1.457 923 H GLU 114 HN GLU 114 7.175 -7.266 -6.027 924 HA GLU 114 HA GLU 114 6.202 -5.232 -7.789 925 1HB GLU 114 HB2 GLU 114 8.161 -7.050 -8.002 926 2HB GLU 114 HB1 GLU 114 6.911 -7.899 -8.911 927 1HG GLU 114 HG2 GLU 114 6.950 -5.108 -9.654 928 2HG GLU 114 HG1 GLU 114 8.561 -5.804 -9.835 929 H ASN 115 HN ASN 115 5.258 -8.681 -7.622 930 HA ASN 115 HA ASN 115 3.004 -8.295 -9.388 931 1HB ASN 115 HB2 ASN 115 3.764 -10.549 -7.521 932 2HB ASN 115 HB1 ASN 115 2.364 -10.610 -8.590 933 1HD2 ASN 115 HD22 ASN 115 5.823 -11.694 -10.132 934 2HD2 ASN 115 HD21 ASN 115 5.394 -11.775 -8.491 935 H PHE 116 HN PHE 116 3.201 -8.750 -5.833 936 HA PHE 116 HA PHE 116 0.396 -8.634 -5.367 937 1HB PHE 116 HB2 PHE 116 1.453 -9.275 -3.439 938 2HB PHE 116 HB1 PHE 116 2.855 -8.251 -3.747 939 HD1 PHE 116 HD1 PHE 116 -0.816 -7.923 -2.986 940 HD2 PHE 116 HD2 PHE 116 3.147 -6.361 -2.453 941 HE1 PHE 116 HE1 PHE 116 -1.703 -6.203 -1.435 942 HE2 PHE 116 HE2 PHE 116 2.264 -4.638 -0.906 943 HZ PHE 116 HZ PHE 116 -0.163 -4.559 -0.395 944 H LEU 117 HN LEU 117 2.772 -5.957 -4.987 945 HA LEU 117 HA LEU 117 0.819 -3.941 -4.594 946 1HB LEU 117 HB2 LEU 117 3.446 -3.864 -4.428 947 2HB LEU 117 HB1 LEU 117 3.328 -3.300 -6.095 948 HG LEU 117 HG LEU 117 1.337 -1.895 -4.677 949 1HD1 LEU 117 HD12 LEU 117 3.256 -2.712 -2.822 950 2HD1 LEU 117 HD11 LEU 117 3.736 -1.072 -3.243 951 3HD1 LEU 117 HD13 LEU 117 2.117 -1.385 -2.624 952 1HD2 LEU 117 HD21 LEU 117 4.100 -1.071 -5.604 953 2HD2 LEU 117 HD23 LEU 117 2.631 -1.050 -6.575 954 3HD2 LEU 117 HD22 LEU 117 2.799 0.048 -5.205 955 H GLU 118 HN GLU 118 1.876 -5.544 -7.525 956 HA GLU 118 HA GLU 118 0.935 -3.587 -9.400 957 1HB GLU 118 HB2 GLU 118 2.061 -5.140 -10.624 958 2HB GLU 118 HB1 GLU 118 1.741 -6.423 -9.460 959 1HG GLU 118 HG2 GLU 118 -0.456 -6.802 -10.365 960 2HG GLU 118 HG1 GLU 118 -0.344 -5.362 -11.379 961 NH1 ARG 119 NH2 ARG 119 -5.648 -11.124 -9.675 962 NH2 ARG 119 NH1 ARG 119 -6.264 -9.524 -11.146 963 H ARG 119 HN ARG 119 -0.614 -6.431 -7.927 964 HA ARG 119 HA ARG 119 -3.214 -6.008 -9.097 965 1HB ARG 119 HB2 ARG 119 -2.329 -7.479 -6.592 966 2HB ARG 119 HB1 ARG 119 -3.976 -7.516 -7.221 967 1HG ARG 119 HG2 ARG 119 -2.337 -8.064 -9.435 968 2HG ARG 119 HG1 ARG 119 -1.651 -9.005 -8.108 969 1HD ARG 119 HD2 ARG 119 -3.276 -10.492 -8.800 970 2HD ARG 119 HD1 ARG 119 -4.230 -9.545 -7.661 971 HE ARG 119 HE ARG 119 -4.498 -8.202 -10.084 972 1HH1 ARG 119 HH21 ARG 119 -5.075 -11.442 -8.922 973 2HH1 ARG 119 HH22 ARG 119 -6.345 -11.730 -10.057 974 1HH2 ARG 119 HH11 ARG 119 -6.158 -8.605 -11.526 975 2HH2 ARG 119 HH12 ARG 119 -6.961 -10.139 -11.515 976 H LEU 120 HN LEU 120 -1.510 -4.354 -6.603 977 HA LEU 120 HA LEU 120 -3.795 -3.497 -5.049 978 1HB LEU 120 HB2 LEU 120 -0.946 -3.155 -5.007 979 2HB LEU 120 HB1 LEU 120 -1.693 -1.564 -4.936 980 HG LEU 120 HG LEU 120 -2.227 -3.903 -3.083 981 1HD1 LEU 120 HD12 LEU 120 -0.676 -1.355 -2.945 982 2HD1 LEU 120 HD11 LEU 120 -1.542 -1.854 -1.492 983 3HD1 LEU 120 HD13 LEU 120 -0.330 -2.920 -2.207 984 1HD2 LEU 120 HD22 LEU 120 -3.899 -1.668 -3.832 985 2HD2 LEU 120 HD21 LEU 120 -4.246 -2.972 -2.697 986 3HD2 LEU 120 HD23 LEU 120 -3.424 -1.513 -2.141 987 H LYS 121 HN LYS 121 -1.734 -1.800 -7.435 988 HA LYS 121 HA LYS 121 -3.336 0.553 -7.634 989 1HB LYS 121 HB2 LYS 121 -1.141 0.660 -8.544 990 2HB LYS 121 HB1 LYS 121 -1.393 -0.787 -9.519 991 1HG LYS 121 HG2 LYS 121 -3.287 1.426 -10.045 992 2HG LYS 121 HG1 LYS 121 -1.614 1.741 -10.500 993 1HD LYS 121 HD2 LYS 121 -1.710 -0.637 -11.572 994 2HD LYS 121 HD1 LYS 121 -3.458 -0.419 -11.499 995 1HE LYS 121 HE2 LYS 121 -1.525 1.512 -12.815 996 2HE LYS 121 HE1 LYS 121 -2.515 0.329 -13.671 997 1HZ LYS 121 HZ2 LYS 121 -4.184 1.756 -11.950 998 2HZ LYS 121 HZ1 LYS 121 -3.238 2.892 -12.791 999 3HZ LYS 121 HZ3 LYS 121 -4.176 1.767 -13.648 1000 H THR 122 HN THR 122 -3.445 -2.505 -9.356 1001 HA THR 122 HA THR 122 -5.336 -1.675 -11.351 1002 HB THR 122 HB THR 122 -5.712 -4.416 -11.060 1003 HG1 THR 122 HG1 THR 122 -3.355 -4.956 -10.946 1004 1HG2 THR 122 HG23 THR 122 -3.656 -2.849 -12.637 1005 2HG2 THR 122 HG22 THR 122 -4.074 -4.535 -12.947 1006 3HG2 THR 122 HG21 THR 122 -5.287 -3.273 -13.162 1007 H ILE 123 HN ILE 123 -5.794 -3.522 -8.364 1008 HA ILE 123 HA ILE 123 -8.610 -3.822 -8.602 1009 HB ILE 123 HB ILE 123 -6.791 -3.797 -6.188 1010 1HG1 ILE 123 HG12 ILE 123 -6.449 -5.623 -7.835 1011 2HG1 ILE 123 HG11 ILE 123 -7.080 -6.234 -6.305 1012 1HG2 ILE 123 HG22 ILE 123 -9.744 -4.396 -6.431 1013 2HG2 ILE 123 HG21 ILE 123 -8.761 -4.992 -5.093 1014 3HG2 ILE 123 HG23 ILE 123 -8.956 -3.256 -5.341 1015 1HD1 ILE 123 HD12 ILE 123 -9.325 -5.532 -7.897 1016 2HD1 ILE 123 HD11 ILE 123 -8.232 -6.453 -8.930 1017 3HD1 ILE 123 HD13 ILE 123 -8.809 -7.146 -7.415 1018 H MET 124 HN MET 124 -6.816 -1.531 -6.537 1019 HA MET 124 HA MET 124 -9.079 -0.108 -5.614 1020 1HB MET 124 HB2 MET 124 -6.159 0.362 -5.677 1021 2HB MET 124 HB1 MET 124 -7.166 1.797 -5.488 1022 1HG MET 124 HG2 MET 124 -8.028 1.102 -3.458 1023 2HG MET 124 HG1 MET 124 -7.815 -0.608 -3.834 1024 1HE MET 124 HE2 MET 124 -6.817 2.261 -1.946 1025 2HE MET 124 HE1 MET 124 -5.072 2.258 -1.715 1026 3HE MET 124 HE3 MET 124 -5.763 2.754 -3.270 1027 NH1 ARG 125 NH2 ARG 125 -7.462 1.893 -15.244 1028 NH2 ARG 125 NH1 ARG 125 -5.382 2.666 -15.654 1029 H ARG 125 HN ARG 125 -6.961 0.647 -8.386 1030 HA ARG 125 HA ARG 125 -8.272 3.101 -9.050 1031 1HB ARG 125 HB2 ARG 125 -5.997 2.246 -9.854 1032 2HB ARG 125 HB1 ARG 125 -6.898 1.307 -11.043 1033 1HG ARG 125 HG2 ARG 125 -7.764 4.106 -10.884 1034 2HG ARG 125 HG1 ARG 125 -6.081 3.924 -11.380 1035 1HD ARG 125 HD2 ARG 125 -7.856 1.998 -12.690 1036 2HD ARG 125 HD1 ARG 125 -8.288 3.670 -13.042 1037 HE ARG 125 HE ARG 125 -5.539 3.598 -13.392 1038 1HH1 ARG 125 HH21 ARG 125 -8.255 1.796 -14.646 1039 2HH1 ARG 125 HH22 ARG 125 -7.478 1.483 -16.157 1040 1HH2 ARG 125 HH11 ARG 125 -4.569 3.171 -15.363 1041 2HH2 ARG 125 HH12 ARG 125 -5.411 2.243 -16.560 1042 H GLU 126 HN GLU 126 -8.485 0.004 -10.803 1043 HA GLU 126 HA GLU 126 -10.559 0.712 -12.549 1044 1HB GLU 126 HB2 GLU 126 -9.146 -1.407 -12.553 1045 2HB GLU 126 HB1 GLU 126 -10.276 -2.050 -11.361 1046 1HG GLU 126 HG2 GLU 126 -12.144 -1.710 -12.906 1047 2HG GLU 126 HG1 GLU 126 -11.052 -1.001 -14.097 1048 H LYS 127 HN LYS 127 -11.003 -1.034 -9.436 1049 HA LYS 127 HA LYS 127 -13.862 -1.048 -9.636 1050 1HB LYS 127 HB2 LYS 127 -11.882 -1.560 -7.454 1051 2HB LYS 127 HB1 LYS 127 -13.588 -1.401 -7.036 1052 1HG LYS 127 HG2 LYS 127 -14.169 -3.343 -8.094 1053 2HG LYS 127 HG1 LYS 127 -12.976 -3.123 -9.376 1054 1HD LYS 127 HD2 LYS 127 -11.986 -4.871 -8.235 1055 2HD LYS 127 HD1 LYS 127 -11.274 -3.513 -7.359 1056 1HE LYS 127 HE2 LYS 127 -12.085 -4.752 -5.579 1057 2HE LYS 127 HE1 LYS 127 -13.491 -3.739 -5.909 1058 1HZ LYS 127 HZ3 LYS 127 -13.155 -6.327 -7.278 1059 2HZ LYS 127 HZ2 LYS 127 -13.814 -6.263 -5.713 1060 3HZ LYS 127 HZ1 LYS 127 -14.577 -5.447 -6.993 1061 OH TYR 128 OH TYR 128 -12.380 -0.807 -1.980 1062 H TYR 128 HN TYR 128 -11.751 1.066 -7.629 1063 HA TYR 128 HA TYR 128 -14.056 2.600 -6.749 1064 1HB TYR 128 HB2 TYR 128 -11.093 3.165 -6.486 1065 2HB TYR 128 HB1 TYR 128 -12.372 4.082 -5.686 1066 HD1 TYR 128 HD2 TYR 128 -14.276 2.334 -4.676 1067 HD2 TYR 128 HD1 TYR 128 -10.059 1.610 -5.066 1068 HE1 TYR 128 HE2 TYR 128 -14.404 0.621 -2.890 1069 HE2 TYR 128 HE1 TYR 128 -10.192 -0.108 -3.278 1070 HH TYR 128 HH TYR 128 -13.181 -1.318 -2.121 1071 H SER 129 HN SER 129 -12.679 2.588 -9.749 1072 HA SER 129 HA SER 129 -12.506 5.452 -10.199 1073 1HB SER 129 HB2 SER 129 -11.426 4.637 -12.003 1074 2HB SER 129 HB1 SER 129 -12.061 3.019 -11.712 1075 HG SER 129 HG SER 129 -12.761 4.747 -13.592 1076 H LYS 130 HN LYS 130 -15.137 3.320 -9.762 1077 HA LYS 130 HA LYS 130 -16.973 5.359 -10.920 1078 1HB LYS 130 HB2 LYS 130 -17.498 2.390 -11.159 1079 2HB LYS 130 HB1 LYS 130 -18.316 3.711 -11.994 1080 1HG LYS 130 HG2 LYS 130 -15.833 4.194 -12.861 1081 2HG LYS 130 HG1 LYS 130 -15.666 2.464 -12.559 1082 1HD LYS 130 HD2 LYS 130 -18.052 2.478 -13.840 1083 2HD LYS 130 HD1 LYS 130 -17.293 3.879 -14.599 1084 1HE LYS 130 HE2 LYS 130 -15.460 2.597 -15.388 1085 2HE LYS 130 HE1 LYS 130 -15.834 1.250 -14.314 1086 1HZ LYS 130 HZ1 LYS 130 -18.044 1.205 -15.602 1087 2HZ LYS 130 HZ3 LYS 130 -17.202 2.085 -16.783 1088 3HZ LYS 130 HZ2 LYS 130 -16.658 0.542 -16.328 1089 H CYS 131 HN CYS 131 -16.482 5.466 -8.294 1090 HA CYS 131 HA CYS 131 -18.575 3.824 -6.936 1091 1HB CYS 131 HB2 CYS 131 -16.411 3.657 -5.873 1092 2HB CYS 131 HB1 CYS 131 -16.224 5.409 -5.864 1093 H SER 132 HN SER 132 -17.566 7.148 -7.594 1094 HA SER 132 HA SER 132 -19.719 8.283 -5.953 1095 1HB SER 132 HB2 SER 132 -18.931 10.433 -7.152 1096 2HB SER 132 HB1 SER 132 -17.788 9.648 -6.066 1097 HG SER 132 HG SER 132 -17.160 10.270 -8.367 1098 H SER 133 HN SER 133 -21.675 9.079 -6.729 1099 HA SER 133 HA SER 133 -22.177 9.380 -9.586 1100 1HB SER 133 HB2 SER 133 -22.872 6.884 -8.200 1101 2HB SER 133 HB1 SER 133 -24.239 7.635 -9.016 1102 HG SER 133 HG SER 133 -22.825 6.168 -10.282 Start of MODEL 14 Raw file had 1102 H/Q atoms Start of MODEL 14 1 1H GLU 1 HT1 GLU 1 -13.961 17.184 4.822 2 2H GLU 1 HT3 GLU 1 -14.099 18.583 5.770 3 3H GLU 1 HT2 GLU 1 -14.003 17.061 6.517 4 HA GLU 1 HA GLU 1 -16.239 17.400 6.653 5 1HB GLU 1 HB2 GLU 1 -15.832 18.952 4.098 6 2HB GLU 1 HB1 GLU 1 -17.445 18.473 4.624 7 1HG GLU 1 HG2 GLU 1 -16.579 19.497 6.938 8 2HG GLU 1 HG1 GLU 1 -15.557 20.434 5.845 9 H ALA 2 HN ALA 2 -18.173 16.496 5.229 10 HA ALA 2 HA ALA 2 -17.131 14.321 3.466 11 1HB ALA 2 HB2 ALA 2 -17.918 13.763 5.971 12 2HB ALA 2 HB1 ALA 2 -19.501 13.757 5.192 13 3HB ALA 2 HB3 ALA 2 -18.236 12.664 4.629 14 H GLU 3 HN GLU 3 -18.902 13.418 2.057 15 HA GLU 3 HA GLU 3 -21.352 14.963 1.759 16 1HB GLU 3 HB2 GLU 3 -18.972 15.762 0.305 17 2HB GLU 3 HB1 GLU 3 -20.245 15.257 -0.807 18 1HG GLU 3 HG2 GLU 3 -21.766 16.867 0.010 19 2HG GLU 3 HG1 GLU 3 -20.841 17.115 1.492 20 H ALA 4 HN ALA 4 -19.048 12.828 0.052 21 HA ALA 4 HA ALA 4 -20.976 11.526 -1.591 22 1HB ALA 4 HB1 ALA 4 -18.359 11.396 -1.600 23 2HB ALA 4 HB3 ALA 4 -18.597 10.065 -0.468 24 3HB ALA 4 HB2 ALA 4 -19.287 9.979 -2.089 25 H HIS 5 HN HIS 5 -20.818 8.802 -1.020 26 HA HIS 5 HA HIS 5 -22.193 8.645 1.634 27 1HB HIS 5 HB2 HIS 5 -22.785 7.108 -0.914 28 2HB HIS 5 HB1 HIS 5 -23.570 6.823 0.640 29 HD1 HIS 5 HD1 HIS 5 -23.720 9.929 1.396 30 HD2 HIS 5 HD2 HIS 5 -25.099 8.200 -2.138 31 HE1 HIS 5 HE1 HIS 5 -25.475 11.501 0.467 32 H LYS 6 HN LYS 6 -20.937 6.267 -0.737 33 HA LYS 6 HA LYS 6 -19.643 4.886 1.554 34 1HB LYS 6 HB2 LYS 6 -20.079 3.844 -1.257 35 2HB LYS 6 HB1 LYS 6 -19.613 2.904 0.162 36 1HG LYS 6 HG2 LYS 6 -21.795 2.568 0.600 37 2HG LYS 6 HG1 LYS 6 -21.969 4.301 0.873 38 1HD LYS 6 HD2 LYS 6 -22.642 4.707 -1.353 39 2HD LYS 6 HD1 LYS 6 -22.016 3.156 -1.915 40 1HE LYS 6 HE2 LYS 6 -23.909 2.051 -1.337 41 2HE LYS 6 HE1 LYS 6 -24.036 2.900 0.203 42 1HZ LYS 6 HZ3 LYS 6 -24.619 4.872 -1.460 43 2HZ LYS 6 HZ2 LYS 6 -25.188 3.563 -2.383 44 3HZ LYS 6 HZ1 LYS 6 -25.796 3.832 -0.819 45 H CYS 7 HN CYS 7 -18.560 7.282 0.159 46 HA CYS 7 HA CYS 7 -15.818 6.538 0.115 47 1HB CYS 7 HB2 CYS 7 -15.545 7.001 -2.451 48 2HB CYS 7 HB1 CYS 7 -16.005 5.387 -1.914 49 H ASP 8 HN ASP 8 -16.047 8.545 1.382 50 HA ASP 8 HA ASP 8 -16.846 11.019 0.153 51 1HB ASP 8 HB2 ASP 8 -14.858 10.669 2.417 52 2HB ASP 8 HB1 ASP 8 -15.844 12.091 2.074 53 H ILE 9 HN ILE 9 -14.547 12.672 0.675 54 HA ILE 9 HA ILE 9 -13.105 12.269 -1.804 55 HB ILE 9 HB ILE 9 -12.150 14.060 0.428 56 1HG1 ILE 9 HG12 ILE 9 -14.575 14.381 -1.346 57 2HG1 ILE 9 HG11 ILE 9 -14.447 14.636 0.394 58 1HG2 ILE 9 HG23 ILE 9 -11.028 13.647 -1.915 59 2HG2 ILE 9 HG22 ILE 9 -12.307 14.711 -2.499 60 3HG2 ILE 9 HG21 ILE 9 -11.163 15.289 -1.289 61 1HD1 ILE 9 HD13 ILE 9 -12.621 16.433 -0.416 62 2HD1 ILE 9 HD12 ILE 9 -13.654 16.433 -1.845 63 3HD1 ILE 9 HD11 ILE 9 -14.332 16.834 -0.267 64 H THR 10 HN THR 10 -12.756 10.855 1.276 65 HA THR 10 HA THR 10 -9.890 10.662 1.406 66 HB THR 10 HB THR 10 -11.945 8.767 2.577 67 HG1 THR 10 HG1 THR 10 -12.446 10.345 3.840 68 1HG2 THR 10 HG22 THR 10 -9.187 8.609 2.531 69 2HG2 THR 10 HG21 THR 10 -9.500 9.416 4.067 70 3HG2 THR 10 HG23 THR 10 -10.229 7.845 3.732 71 H LEU 11 HN LEU 11 -12.409 8.529 0.051 72 HA LEU 11 HA LEU 11 -10.532 6.443 -0.628 73 1HB LEU 11 HB2 LEU 11 -13.295 6.668 -0.585 74 2HB LEU 11 HB1 LEU 11 -12.919 6.528 -2.305 75 HG LEU 11 HG LEU 11 -11.493 4.555 -1.787 76 1HD1 LEU 11 HD13 LEU 11 -11.904 5.474 0.891 77 2HD1 LEU 11 HD12 LEU 11 -12.554 3.841 0.751 78 3HD1 LEU 11 HD11 LEU 11 -10.872 4.159 0.330 79 1HD2 LEU 11 HD23 LEU 11 -13.999 4.456 -2.366 80 2HD2 LEU 11 HD22 LEU 11 -13.291 3.017 -1.631 81 3HD2 LEU 11 HD21 LEU 11 -14.254 4.125 -0.652 82 H GLN 12 HN GLN 12 -11.923 9.168 -2.466 83 HA GLN 12 HA GLN 12 -10.820 8.453 -5.004 84 1HB GLN 12 HB2 GLN 12 -11.851 10.934 -3.733 85 2HB GLN 12 HB1 GLN 12 -10.754 11.167 -5.094 86 1HG GLN 12 HG2 GLN 12 -12.904 9.126 -5.413 87 2HG GLN 12 HG1 GLN 12 -13.387 10.823 -5.450 88 1HE2 GLN 12 HE22 GLN 12 -12.062 9.416 -8.829 89 2HE2 GLN 12 HE21 GLN 12 -12.964 8.601 -7.645 90 H GLU 13 HN GLU 13 -9.491 10.464 -2.378 91 HA GLU 13 HA GLU 13 -6.968 10.915 -3.729 92 1HB GLU 13 HB2 GLU 13 -7.712 11.119 -0.793 93 2HB GLU 13 HB1 GLU 13 -6.202 11.703 -1.493 94 1HG GLU 13 HG2 GLU 13 -7.929 12.917 -3.160 95 2HG GLU 13 HG1 GLU 13 -8.955 12.812 -1.729 96 H ILE 14 HN ILE 14 -8.277 8.303 -1.841 97 HA ILE 14 HA ILE 14 -5.767 7.134 -1.004 98 HB ILE 14 HB ILE 14 -8.547 6.605 -0.693 99 1HG1 ILE 14 HG12 ILE 14 -6.477 4.796 0.475 100 2HG1 ILE 14 HG11 ILE 14 -6.371 6.518 0.851 101 1HG2 ILE 14 HG21 ILE 14 -8.333 5.000 -2.566 102 2HG2 ILE 14 HG23 ILE 14 -7.005 4.201 -1.721 103 3HG2 ILE 14 HG22 ILE 14 -8.630 4.170 -1.040 104 1HD1 ILE 14 HD11 ILE 14 -8.962 6.254 1.317 105 2HD1 ILE 14 HD13 ILE 14 -8.531 4.558 1.540 106 3HD1 ILE 14 HD12 ILE 14 -7.785 5.796 2.549 107 H ILE 15 HN ILE 15 -7.782 6.933 -3.879 108 HA ILE 15 HA ILE 15 -6.355 4.694 -5.058 109 HB ILE 15 HB ILE 15 -8.594 6.450 -5.733 110 1HG1 ILE 15 HG12 ILE 15 -7.823 3.693 -6.744 111 2HG1 ILE 15 HG11 ILE 15 -8.672 3.984 -5.225 112 1HG2 ILE 15 HG21 ILE 15 -6.654 5.629 -7.907 113 2HG2 ILE 15 HG23 ILE 15 -8.329 6.082 -8.214 114 3HG2 ILE 15 HG22 ILE 15 -7.215 7.259 -7.529 115 1HD1 ILE 15 HD11 ILE 15 -10.479 5.140 -6.488 116 2HD1 ILE 15 HD13 ILE 15 -9.645 4.751 -7.992 117 3HD1 ILE 15 HD12 ILE 15 -10.291 3.457 -6.982 118 H LYS 16 HN LYS 16 -6.368 8.220 -5.610 119 HA LYS 16 HA LYS 16 -4.419 8.311 -7.652 120 1HB LYS 16 HB2 LYS 16 -5.148 10.248 -5.458 121 2HB LYS 16 HB1 LYS 16 -3.882 10.622 -6.627 122 1HG LYS 16 HG2 LYS 16 -5.823 9.779 -8.314 123 2HG LYS 16 HG1 LYS 16 -6.818 10.441 -7.017 124 1HD LYS 16 HD2 LYS 16 -4.482 12.030 -8.028 125 2HD LYS 16 HD1 LYS 16 -5.984 12.019 -8.952 126 1HE LYS 16 HE2 LYS 16 -6.044 12.540 -5.991 127 2HE LYS 16 HE1 LYS 16 -5.650 13.845 -7.109 128 1HZ LYS 16 HZ2 LYS 16 -7.720 13.351 -8.305 129 2HZ LYS 16 HZ1 LYS 16 -8.108 12.178 -7.138 130 3HZ LYS 16 HZ3 LYS 16 -8.003 13.812 -6.695 131 H THR 17 HN THR 17 -3.954 8.333 -4.124 132 HA THR 17 HA THR 17 -1.089 8.567 -4.238 133 HB THR 17 HB THR 17 -2.813 7.346 -2.063 134 HG1 THR 17 HG1 THR 17 -2.184 9.639 -1.279 135 1HG2 THR 17 HG23 THR 17 0.068 8.147 -2.266 136 2HG2 THR 17 HG22 THR 17 -0.765 8.344 -0.724 137 3HG2 THR 17 HG21 THR 17 -0.648 6.748 -1.465 138 H LEU 18 HN LEU 18 -3.288 5.780 -4.053 139 HA LEU 18 HA LEU 18 -1.362 3.753 -3.703 140 1HB LEU 18 HB2 LEU 18 -3.838 3.410 -3.651 141 2HB LEU 18 HB1 LEU 18 -3.878 3.613 -5.398 142 HG LEU 18 HG LEU 18 -3.821 1.200 -4.437 143 1HD1 LEU 18 HD12 LEU 18 -2.971 2.316 -6.824 144 2HD1 LEU 18 HD11 LEU 18 -1.607 1.306 -6.342 145 3HD1 LEU 18 HD13 LEU 18 -3.210 0.598 -6.513 146 1HD2 LEU 18 HD23 LEU 18 -1.844 1.830 -2.915 147 2HD2 LEU 18 HD22 LEU 18 -1.725 0.305 -3.794 148 3HD2 LEU 18 HD21 LEU 18 -0.850 1.725 -4.368 149 H ASN 19 HN ASN 19 -2.252 5.599 -6.554 150 HA ASN 19 HA ASN 19 -0.673 3.876 -8.339 151 1HB ASN 19 HB2 ASN 19 -2.632 4.779 -9.337 152 2HB ASN 19 HB1 ASN 19 -2.283 6.400 -8.734 153 1HD2 ASN 19 HD22 ASN 19 -0.261 7.250 -11.493 154 2HD2 ASN 19 HD21 ASN 19 -1.024 7.761 -10.066 155 H SER 20 HN SER 20 -0.250 6.858 -6.554 156 HA SER 20 HA SER 20 1.983 7.861 -8.089 157 1HB SER 20 HB2 SER 20 1.127 9.516 -6.720 158 2HB SER 20 HB1 SER 20 0.805 8.402 -5.394 159 HG SER 20 HG SER 20 3.068 9.842 -6.010 160 H LEU 21 HN LEU 21 1.694 5.559 -5.422 161 HA LEU 21 HA LEU 21 4.505 5.458 -4.807 162 1HB LEU 21 HB2 LEU 21 2.128 3.752 -4.222 163 2HB LEU 21 HB1 LEU 21 3.719 3.008 -4.061 164 HG LEU 21 HG LEU 21 4.365 5.097 -2.701 165 1HD1 LEU 21 HD13 LEU 21 1.427 5.463 -3.088 166 2HD1 LEU 21 HD12 LEU 21 2.095 5.859 -1.504 167 3HD1 LEU 21 HD11 LEU 21 2.702 6.674 -2.946 168 1HD2 LEU 21 HD22 LEU 21 2.817 2.722 -1.971 169 2HD2 LEU 21 HD21 LEU 21 4.234 3.419 -1.188 170 3HD2 LEU 21 HD23 LEU 21 2.625 4.037 -0.813 171 H THR 22 HN THR 22 2.758 4.354 -7.551 172 HA THR 22 HA THR 22 4.668 2.191 -8.148 173 HB THR 22 HB THR 22 2.930 2.999 -10.347 174 HG1 THR 22 HG1 THR 22 1.041 2.875 -9.362 175 1HG2 THR 22 HG22 THR 22 4.148 0.787 -9.884 176 2HG2 THR 22 HG21 THR 22 2.872 0.461 -8.712 177 3HG2 THR 22 HG23 THR 22 2.471 0.671 -10.417 178 H GLU 23 HN GLU 23 5.216 5.329 -8.140 179 HA GLU 23 HA GLU 23 6.135 5.694 -10.907 180 1HB GLU 23 HB2 GLU 23 5.472 7.395 -8.716 181 2HB GLU 23 HB1 GLU 23 7.164 7.690 -9.118 182 1HG GLU 23 HG2 GLU 23 5.035 7.560 -11.255 183 2HG GLU 23 HG1 GLU 23 5.392 9.060 -10.399 184 H GLN 24 HN GLN 24 7.623 5.549 -7.668 185 HA GLN 24 HA GLN 24 10.215 4.783 -8.972 186 1HB GLN 24 HB2 GLN 24 9.643 6.732 -7.006 187 2HB GLN 24 HB1 GLN 24 10.431 5.409 -6.147 188 1HG GLN 24 HG2 GLN 24 11.651 6.148 -8.746 189 2HG GLN 24 HG1 GLN 24 11.794 7.353 -7.467 190 1HE2 GLN 24 HE22 GLN 24 13.657 5.051 -5.314 191 2HE2 GLN 24 HE21 GLN 24 12.376 6.159 -5.198 192 H LYS 25 HN LYS 25 8.159 2.902 -8.690 193 HA LYS 25 HA LYS 25 9.212 1.218 -6.460 194 1HB LYS 25 HB2 LYS 25 6.494 1.823 -7.305 195 2HB LYS 25 HB1 LYS 25 6.795 0.085 -7.289 196 1HG LYS 25 HG2 LYS 25 8.009 0.857 -4.956 197 2HG LYS 25 HG1 LYS 25 6.661 1.989 -5.033 198 1HD LYS 25 HD2 LYS 25 5.497 -0.402 -5.772 199 2HD LYS 25 HD1 LYS 25 6.647 -0.896 -4.530 200 1HE LYS 25 HE2 LYS 25 4.406 1.116 -4.297 201 2HE LYS 25 HE1 LYS 25 4.655 -0.346 -3.345 202 1HZ LYS 25 HZ2 LYS 25 6.939 0.970 -2.898 203 2HZ LYS 25 HZ1 LYS 25 5.859 2.271 -3.065 204 3HZ LYS 25 HZ3 LYS 25 5.572 1.077 -1.896 205 H THR 26 HN THR 26 10.806 0.188 -7.554 206 HA THR 26 HA THR 26 10.100 -2.028 -9.257 207 HB THR 26 HB THR 26 10.005 -0.220 -10.956 208 HG1 THR 26 HG1 THR 26 12.398 -1.418 -11.598 209 1HG2 THR 26 HG21 THR 26 11.687 1.225 -9.693 210 2HG2 THR 26 HG23 THR 26 12.944 0.204 -10.392 211 3HG2 THR 26 HG22 THR 26 11.893 1.155 -11.442 212 H LEU 27 HN LEU 27 12.622 0.205 -8.172 213 HA LEU 27 HA LEU 27 14.725 -1.815 -8.224 214 1HB LEU 27 HB2 LEU 27 14.976 0.750 -8.438 215 2HB LEU 27 HB1 LEU 27 14.730 0.799 -6.692 216 HG LEU 27 HG LEU 27 16.784 -1.065 -7.862 217 1HD1 LEU 27 HD12 LEU 27 16.861 1.893 -7.777 218 2HD1 LEU 27 HD11 LEU 27 18.274 1.085 -7.098 219 3HD1 LEU 27 HD13 LEU 27 17.794 0.770 -8.765 220 1HD2 LEU 27 HD23 LEU 27 15.902 -0.186 -5.249 221 2HD2 LEU 27 HD22 LEU 27 17.037 -1.472 -5.657 222 3HD2 LEU 27 HD21 LEU 27 17.612 0.184 -5.465 223 H CYS 28 HN CYS 28 12.553 -0.381 -5.827 224 HA CYS 28 HA CYS 28 13.713 -2.043 -3.680 225 1HB CYS 28 HB2 CYS 28 12.448 0.431 -3.701 226 2HB CYS 28 HB1 CYS 28 11.215 -0.653 -3.058 227 H THR 29 HN THR 29 11.185 -2.235 -6.030 228 HA THR 29 HA THR 29 9.447 -4.028 -4.529 229 HB THR 29 HB THR 29 8.272 -4.320 -6.632 230 HG1 THR 29 HG1 THR 29 9.944 -4.612 -8.036 231 1HG2 THR 29 HG22 THR 29 8.114 -2.099 -5.437 232 2HG2 THR 29 HG21 THR 29 9.325 -1.482 -6.558 233 3HG2 THR 29 HG23 THR 29 7.760 -2.022 -7.163 234 H GLU 30 HN GLU 30 12.534 -4.496 -5.757 235 HA GLU 30 HA GLU 30 12.107 -7.175 -6.837 236 1HB GLU 30 HB2 GLU 30 14.200 -5.202 -6.836 237 2HB GLU 30 HB1 GLU 30 14.854 -6.739 -6.268 238 1HG GLU 30 HG2 GLU 30 13.049 -6.733 -8.661 239 2HG GLU 30 HG1 GLU 30 14.724 -6.215 -8.858 240 H LEU 31 HN LEU 31 11.816 -6.206 -3.742 241 HA LEU 31 HA LEU 31 13.490 -8.317 -2.547 242 1HB LEU 31 HB2 LEU 31 11.540 -6.379 -1.247 243 2HB LEU 31 HB1 LEU 31 12.674 -7.431 -0.401 244 HG LEU 31 HG LEU 31 13.692 -5.505 -2.472 245 1HD1 LEU 31 HD12 LEU 31 12.219 -4.249 -0.865 246 2HD1 LEU 31 HD11 LEU 31 13.234 -4.836 0.452 247 3HD1 LEU 31 HD13 LEU 31 13.915 -3.774 -0.781 248 1HD2 LEU 31 HD23 LEU 31 14.909 -7.441 -1.014 249 2HD2 LEU 31 HD22 LEU 31 15.734 -5.970 -1.528 250 3HD2 LEU 31 HD21 LEU 31 15.069 -6.083 0.101 251 H THR 32 HN THR 32 10.633 -8.138 -0.755 252 HA THR 32 HA THR 32 8.874 -9.719 -2.360 253 HB THR 32 HB THR 32 9.353 -11.752 -0.576 254 HG1 THR 32 HG1 THR 32 11.906 -11.210 -1.514 255 1HG2 THR 32 HG21 THR 32 9.687 -11.199 -3.398 256 2HG2 THR 32 HG23 THR 32 10.941 -12.305 -2.839 257 3HG2 THR 32 HG22 THR 32 9.241 -12.710 -2.611 258 H VAL 33 HN VAL 33 6.887 -10.074 -1.284 259 HA VAL 33 HA VAL 33 6.745 -9.292 1.581 260 HB VAL 33 HB VAL 33 4.892 -7.757 1.135 261 1HG1 VAL 33 HG13 VAL 33 7.503 -7.236 0.622 262 2HG1 VAL 33 HG12 VAL 33 6.793 -6.841 -0.942 263 3HG1 VAL 33 HG11 VAL 33 6.233 -6.018 0.513 264 1HG2 VAL 33 HG23 VAL 33 5.128 -8.973 -1.575 265 2HG2 VAL 33 HG22 VAL 33 3.690 -8.434 -0.708 266 3HG2 VAL 33 HG21 VAL 33 4.728 -7.257 -1.513 267 H THR 34 HN THR 34 3.744 -9.310 1.390 268 HA THR 34 HA THR 34 3.399 -12.245 0.946 269 HB THR 34 HB THR 34 2.927 -10.610 3.268 270 HG1 THR 34 HG1 THR 34 2.969 -12.544 4.175 271 1HG2 THR 34 HG22 THR 34 0.471 -11.975 2.129 272 2HG2 THR 34 HG21 THR 34 0.614 -11.370 3.774 273 3HG2 THR 34 HG23 THR 34 0.668 -10.247 2.416 274 H ASP 35 HN ASP 35 1.481 -12.917 -0.073 275 HA ASP 35 HA ASP 35 0.074 -10.811 -1.605 276 1HB ASP 35 HB2 ASP 35 0.875 -13.042 -2.610 277 2HB ASP 35 HB1 ASP 35 -0.445 -13.793 -1.712 278 H ILE 36 HN ILE 36 -1.655 -9.886 -0.591 279 HA ILE 36 HA ILE 36 -3.081 -11.464 1.472 280 HB ILE 36 HB ILE 36 -3.888 -9.402 2.311 281 1HG1 ILE 36 HG12 ILE 36 -3.177 -8.321 -0.428 282 2HG1 ILE 36 HG11 ILE 36 -4.764 -8.354 0.344 283 1HG2 ILE 36 HG23 ILE 36 -1.323 -9.854 2.344 284 2HG2 ILE 36 HG22 ILE 36 -1.235 -8.550 1.160 285 3HG2 ILE 36 HG21 ILE 36 -1.889 -8.238 2.767 286 1HD1 ILE 36 HD11 ILE 36 -3.628 -6.898 2.190 287 2HD1 ILE 36 HD13 ILE 36 -2.410 -6.582 0.954 288 3HD1 ILE 36 HD12 ILE 36 -4.090 -6.131 0.672 289 H PHE 37 HN PHE 37 -3.415 -11.915 -1.475 290 HA PHE 37 HA PHE 37 -6.368 -11.452 -1.575 291 1HB PHE 37 HB2 PHE 37 -4.546 -11.651 -3.989 292 2HB PHE 37 HB1 PHE 37 -6.245 -11.178 -3.963 293 HD1 PHE 37 HD2 PHE 37 -6.373 -9.331 -1.686 294 HD2 PHE 37 HD1 PHE 37 -3.354 -9.762 -4.710 295 HE1 PHE 37 HE2 PHE 37 -5.713 -6.962 -1.365 296 HE2 PHE 37 HE1 PHE 37 -2.693 -7.393 -4.389 297 HZ PHE 37 HZ PHE 37 -3.872 -5.994 -2.716 298 H ALA 38 HN ALA 38 -4.957 -13.702 -0.430 299 HA ALA 38 HA ALA 38 -4.678 -15.924 -2.155 300 1HB ALA 38 HB3 ALA 38 -5.349 -15.641 0.763 301 2HB ALA 38 HB2 ALA 38 -5.373 -17.231 0.001 302 3HB ALA 38 HB1 ALA 38 -3.885 -16.285 0.018 303 H ALA 39 HN ALA 39 -7.590 -14.515 -0.734 304 HA ALA 39 HA ALA 39 -9.171 -16.618 -2.162 305 1HB ALA 39 HB1 ALA 39 -9.376 -15.501 0.516 306 2HB ALA 39 HB3 ALA 39 -10.889 -15.326 -0.375 307 3HB ALA 39 HB2 ALA 39 -10.167 -16.922 -0.165 308 H SER 40 HN SER 40 -11.582 -15.546 -2.418 309 HA SER 40 HA SER 40 -11.096 -13.202 -4.171 310 1HB SER 40 HB2 SER 40 -12.305 -14.863 -5.329 311 2HB SER 40 HB1 SER 40 -13.310 -15.233 -3.930 312 HG SER 40 HG SER 40 -13.303 -12.771 -5.354 313 H LYS 41 HN LYS 41 -13.002 -14.180 -1.341 314 HA LYS 41 HA LYS 41 -13.344 -11.345 -0.643 315 1HB LYS 41 HB2 LYS 41 -15.261 -12.091 -2.234 316 2HB LYS 41 HB1 LYS 41 -15.851 -13.004 -0.845 317 1HG LYS 41 HG2 LYS 41 -15.603 -10.791 0.468 318 2HG LYS 41 HG1 LYS 41 -15.505 -10.020 -1.116 319 1HD LYS 41 HD2 LYS 41 -17.710 -11.967 -0.810 320 2HD LYS 41 HD1 LYS 41 -17.850 -10.517 0.185 321 1HE LYS 41 HE2 LYS 41 -17.225 -10.399 -2.772 322 2HE LYS 41 HE1 LYS 41 -18.875 -10.365 -2.149 323 1HZ LYS 41 HZ2 LYS 41 -16.845 -8.518 -1.078 324 2HZ LYS 41 HZ1 LYS 41 -17.639 -8.157 -2.537 325 3HZ LYS 41 HZ3 LYS 41 -18.536 -8.351 -1.111 326 H ASP 42 HN ASP 42 -12.131 -13.843 0.507 327 HA ASP 42 HA ASP 42 -13.662 -14.898 2.635 328 1HB ASP 42 HB2 ASP 42 -11.719 -15.901 3.241 329 2HB ASP 42 HB1 ASP 42 -11.045 -15.158 1.792 330 H THR 43 HN THR 43 -11.943 -11.841 2.348 331 HA THR 43 HA THR 43 -12.983 -11.097 5.052 332 HB THR 43 HB THR 43 -11.035 -9.236 4.474 333 HG1 THR 43 HG1 THR 43 -9.268 -10.600 3.798 334 1HG2 THR 43 HG22 THR 43 -11.285 -11.678 6.123 335 2HG2 THR 43 HG21 THR 43 -9.633 -11.112 5.865 336 3HG2 THR 43 HG23 THR 43 -10.828 -10.041 6.594 337 H THR 44 HN THR 44 -12.777 -8.363 4.909 338 HA THR 44 HA THR 44 -14.710 -7.743 2.726 339 HB THR 44 HB THR 44 -14.632 -5.571 4.485 340 HG1 THR 44 HG1 THR 44 -15.156 -7.095 6.414 341 1HG2 THR 44 HG22 THR 44 -16.510 -7.115 3.337 342 2HG2 THR 44 HG21 THR 44 -16.590 -7.756 4.979 343 3HG2 THR 44 HG23 THR 44 -16.869 -6.038 4.687 344 H GLU 45 HN GLU 45 -14.536 -5.169 2.275 345 HA GLU 45 HA GLU 45 -11.974 -4.848 0.958 346 1HB GLU 45 HB2 GLU 45 -12.864 -2.885 -0.013 347 2HB GLU 45 HB1 GLU 45 -14.261 -3.933 0.173 348 1HG GLU 45 HG2 GLU 45 -13.525 -1.811 2.223 349 2HG GLU 45 HG1 GLU 45 -14.602 -1.509 0.871 350 H LYS 46 HN LYS 46 -13.478 -3.498 3.861 351 HA LYS 46 HA LYS 46 -11.309 -1.649 4.380 352 1HB LYS 46 HB2 LYS 46 -12.339 -1.565 6.704 353 2HB LYS 46 HB1 LYS 46 -13.411 -1.116 5.380 354 1HG LYS 46 HG2 LYS 46 -14.578 -3.174 5.483 355 2HG LYS 46 HG1 LYS 46 -13.307 -3.947 6.427 356 1HD LYS 46 HD2 LYS 46 -13.952 -2.934 8.400 357 2HD LYS 46 HD1 LYS 46 -14.646 -1.536 7.578 358 1HE LYS 46 HE2 LYS 46 -16.008 -4.003 6.837 359 2HE LYS 46 HE1 LYS 46 -16.059 -3.729 8.579 360 1HZ LYS 46 HZ1 LYS 46 -16.644 -1.315 7.821 361 2HZ LYS 46 HZ3 LYS 46 -17.156 -2.096 6.405 362 3HZ LYS 46 HZ2 LYS 46 -17.847 -2.511 7.902 363 H GLU 47 HN GLU 47 -12.048 -4.967 5.403 364 HA GLU 47 HA GLU 47 -9.874 -5.127 7.298 365 1HB GLU 47 HB2 GLU 47 -11.901 -6.704 7.101 366 2HB GLU 47 HB1 GLU 47 -11.038 -7.461 5.762 367 1HG GLU 47 HG2 GLU 47 -9.637 -8.545 7.164 368 2HG GLU 47 HG1 GLU 47 -9.313 -7.075 8.082 369 H THR 48 HN THR 48 -10.208 -5.589 3.833 370 HA THR 48 HA THR 48 -7.682 -6.882 3.386 371 HB THR 48 HB THR 48 -9.287 -5.081 1.543 372 HG1 THR 48 HG1 THR 48 -9.685 -7.382 0.732 373 1HG2 THR 48 HG21 THR 48 -6.925 -6.903 1.132 374 2HG2 THR 48 HG23 THR 48 -8.031 -6.533 -0.189 375 3HG2 THR 48 HG22 THR 48 -7.135 -5.234 0.599 376 H PHE 49 HN PHE 49 -8.676 -3.488 3.618 377 HA PHE 49 HA PHE 49 -6.156 -2.384 2.772 378 1HB PHE 49 HB2 PHE 49 -8.245 -1.199 4.626 379 2HB PHE 49 HB1 PHE 49 -6.929 -0.307 3.870 380 HD1 PHE 49 HD2 PHE 49 -6.926 -1.603 1.149 381 HD2 PHE 49 HD1 PHE 49 -10.152 -0.226 3.629 382 HE1 PHE 49 HE2 PHE 49 -8.330 -1.263 -0.864 383 HE2 PHE 49 HE1 PHE 49 -11.556 0.114 1.616 384 HZ PHE 49 HZ PHE 49 -10.645 -0.406 -0.632 385 H CYS 50 HN CYS 50 -7.401 -3.446 5.913 386 HA CYS 50 HA CYS 50 -5.294 -2.366 7.528 387 1HB CYS 50 HB2 CYS 50 -7.396 -3.284 8.463 388 2HB CYS 50 HB1 CYS 50 -6.908 -4.903 7.959 389 NH1 ARG 51 NH2 ARG 51 -7.290 -11.520 4.786 390 NH2 ARG 51 NH1 ARG 51 -5.556 -12.346 3.595 391 H ARG 51 HN ARG 51 -5.635 -5.583 5.981 392 HA ARG 51 HA ARG 51 -3.160 -6.639 6.927 393 1HB ARG 51 HB2 ARG 51 -4.993 -7.252 4.642 394 2HB ARG 51 HB1 ARG 51 -3.381 -7.967 4.633 395 1HG ARG 51 HG2 ARG 51 -3.794 -9.269 6.488 396 2HG ARG 51 HG1 ARG 51 -4.922 -8.105 7.182 397 1HD ARG 51 HD2 ARG 51 -6.342 -9.842 6.503 398 2HD ARG 51 HD1 ARG 51 -6.433 -8.721 5.145 399 HE ARG 51 HE ARG 51 -4.341 -10.410 4.477 400 1HH1 ARG 51 HH21 ARG 51 -7.681 -10.832 5.396 401 2HH1 ARG 51 HH22 ARG 51 -7.857 -12.282 4.473 402 1HH2 ARG 51 HH11 ARG 51 -4.606 -12.288 3.290 403 2HH2 ARG 51 HH12 ARG 51 -6.134 -13.103 3.289 404 H ALA 52 HN ALA 52 -3.940 -4.916 3.905 405 HA ALA 52 HA ALA 52 -1.244 -4.942 2.901 406 1HB ALA 52 HB2 ALA 52 -3.795 -3.589 2.216 407 2HB ALA 52 HB1 ALA 52 -2.323 -2.772 1.689 408 3HB ALA 52 HB3 ALA 52 -2.648 -4.427 1.170 409 H ALA 53 HN ALA 53 -2.796 -3.074 5.362 410 HA ALA 53 HA ALA 53 -1.018 -0.769 5.155 411 1HB ALA 53 HB1 ALA 53 -3.434 -1.168 6.369 412 2HB ALA 53 HB3 ALA 53 -2.343 -1.330 7.745 413 3HB ALA 53 HB2 ALA 53 -2.337 0.148 6.784 414 H THR 54 HN THR 54 -1.146 -3.808 6.935 415 HA THR 54 HA THR 54 1.063 -3.175 8.705 416 HB THR 54 HB THR 54 -0.345 -5.721 7.903 417 HG1 THR 54 HG1 THR 54 -1.268 -4.344 9.472 418 1HG2 THR 54 HG23 THR 54 2.204 -5.397 9.489 419 2HG2 THR 54 HG22 THR 54 1.147 -6.796 9.686 420 3HG2 THR 54 HG21 THR 54 1.901 -6.471 8.124 421 H VAL 55 HN VAL 55 0.728 -4.963 5.643 422 HA VAL 55 HA VAL 55 3.477 -5.712 5.403 423 HB VAL 55 HB VAL 55 1.337 -5.202 3.314 424 1HG1 VAL 55 HG13 VAL 55 4.225 -5.879 3.076 425 2HG1 VAL 55 HG12 VAL 55 3.114 -6.800 2.062 426 3HG1 VAL 55 HG11 VAL 55 3.168 -5.042 1.940 427 1HG2 VAL 55 HG23 VAL 55 1.349 -7.164 5.107 428 2HG2 VAL 55 HG22 VAL 55 0.903 -7.483 3.431 429 3HG2 VAL 55 HG21 VAL 55 2.527 -7.868 3.999 430 H LEU 56 HN LEU 56 1.682 -2.810 4.482 431 HA LEU 56 HA LEU 56 3.805 -1.516 3.053 432 1HB LEU 56 HB2 LEU 56 1.142 -0.891 3.849 433 2HB LEU 56 HB1 LEU 56 2.178 0.398 4.460 434 HG LEU 56 HG LEU 56 3.229 0.163 1.998 435 1HD1 LEU 56 HD12 LEU 56 0.323 -0.670 1.734 436 2HD1 LEU 56 HD11 LEU 56 1.344 -0.164 0.388 437 3HD1 LEU 56 HD13 LEU 56 1.733 -1.630 1.287 438 1HD2 LEU 56 HD23 LEU 56 0.715 1.678 2.776 439 2HD2 LEU 56 HD22 LEU 56 2.378 2.245 2.924 440 3HD2 LEU 56 HD21 LEU 56 1.664 2.017 1.328 441 NH1 ARG 57 NH2 ARG 57 6.775 -1.730 12.879 442 NH2 ARG 57 NH1 ARG 57 5.583 -0.511 14.359 443 H ARG 57 HN ARG 57 2.943 -1.757 6.461 444 HA ARG 57 HA ARG 57 4.690 0.254 7.479 445 1HB ARG 57 HB2 ARG 57 2.878 -1.410 8.615 446 2HB ARG 57 HB1 ARG 57 4.367 -2.240 9.067 447 1HG ARG 57 HG2 ARG 57 4.408 0.698 9.422 448 2HG ARG 57 HG1 ARG 57 3.305 -0.172 10.487 449 1HD ARG 57 HD2 ARG 57 5.480 -1.776 10.657 450 2HD ARG 57 HD1 ARG 57 6.268 -0.222 10.385 451 HE ARG 57 HE ARG 57 4.421 0.324 12.366 452 1HH1 ARG 57 HH21 ARG 57 6.980 -2.009 11.942 453 2HH1 ARG 57 HH22 ARG 57 7.298 -2.120 13.636 454 1HH2 ARG 57 HH11 ARG 57 4.863 0.155 14.557 455 2HH2 ARG 57 HH12 ARG 57 6.115 -0.909 15.105 456 H GLN 58 HN GLN 58 5.209 -3.200 6.793 457 HA GLN 58 HA GLN 58 7.951 -3.224 7.678 458 1HB GLN 58 HB2 GLN 58 6.193 -5.168 6.952 459 2HB GLN 58 HB1 GLN 58 7.173 -5.068 5.489 460 1HG GLN 58 HG2 GLN 58 8.195 -6.696 6.963 461 2HG GLN 58 HG1 GLN 58 9.226 -5.265 6.933 462 1HE2 GLN 58 HE22 GLN 58 6.874 -5.688 10.290 463 2HE2 GLN 58 HE21 GLN 58 6.212 -6.050 8.769 464 H PHE 59 HN PHE 59 6.360 -2.181 4.748 465 HA PHE 59 HA PHE 59 8.608 -2.310 2.978 466 1HB PHE 59 HB2 PHE 59 6.139 -1.917 2.386 467 2HB PHE 59 HB1 PHE 59 6.416 -0.234 2.839 468 HD1 PHE 59 HD2 PHE 59 8.428 0.973 1.721 469 HD2 PHE 59 HD1 PHE 59 6.697 -2.662 0.222 470 HE1 PHE 59 HE2 PHE 59 9.439 1.409 -0.499 471 HE2 PHE 59 HE1 PHE 59 7.707 -2.224 -2.000 472 HZ PHE 59 HZ PHE 59 9.079 -0.189 -2.360 473 OH TYR 60 OH TYR 60 5.588 3.465 10.135 474 H TYR 60 HN TYR 60 7.280 0.488 4.802 475 HA TYR 60 HA TYR 60 9.768 1.971 4.240 476 1HB TYR 60 HB2 TYR 60 8.616 3.893 4.819 477 2HB TYR 60 HB1 TYR 60 7.285 2.879 4.275 478 HD1 TYR 60 HD1 TYR 60 8.988 4.312 7.221 479 HD2 TYR 60 HD2 TYR 60 5.682 1.940 5.841 480 HE1 TYR 60 HE1 TYR 60 7.908 4.521 9.444 481 HE2 TYR 60 HE2 TYR 60 4.606 2.149 8.065 482 HH TYR 60 HH TYR 60 6.116 2.975 10.768 483 H SER 61 HN SER 61 8.971 -0.290 6.525 484 HA SER 61 HA SER 61 10.002 1.075 8.883 485 1HB SER 61 HB2 SER 61 8.979 -1.621 8.222 486 2HB SER 61 HB1 SER 61 10.188 -1.568 9.501 487 HG SER 61 HG SER 61 8.885 -0.303 10.691 488 H HIS 62 HN HIS 62 11.267 -1.688 6.962 489 HA HIS 62 HA HIS 62 13.946 -1.152 8.080 490 1HB HIS 62 HB2 HIS 62 12.693 -3.482 7.447 491 2HB HIS 62 HB1 HIS 62 13.646 -3.218 5.986 492 HD1 HIS 62 HD1 HIS 62 14.103 -5.262 8.584 493 HD2 HIS 62 HD2 HIS 62 16.349 -1.940 7.443 494 HE1 HIS 62 HE1 HIS 62 16.399 -5.562 9.610 495 H HIS 63 HN HIS 63 12.397 -1.224 4.855 496 HA HIS 63 HA HIS 63 14.657 -0.645 3.287 497 1HB HIS 63 HB2 HIS 63 11.908 0.545 2.834 498 2HB HIS 63 HB1 HIS 63 13.141 0.219 1.617 499 HD1 HIS 63 HD1 HIS 63 13.637 -2.601 3.481 500 HD2 HIS 63 HD2 HIS 63 10.367 -1.418 1.180 501 HE1 HIS 63 HE1 HIS 63 12.352 -4.709 2.925 502 H GLU 64 HN GLU 64 12.684 1.570 5.225 503 HA GLU 64 HA GLU 64 13.875 3.989 4.235 504 1HB GLU 64 HB2 GLU 64 11.765 3.936 5.539 505 2HB GLU 64 HB1 GLU 64 12.676 3.436 6.964 506 1HG GLU 64 HG2 GLU 64 14.096 5.567 6.558 507 2HG GLU 64 HG1 GLU 64 12.772 6.076 5.511 508 H LYS 65 HN LYS 65 14.718 1.799 6.911 509 HA LYS 65 HA LYS 65 17.167 3.423 7.406 510 1HB LYS 65 HB2 LYS 65 15.601 1.448 9.033 511 2HB LYS 65 HB1 LYS 65 17.307 1.709 9.396 512 1HG LYS 65 HG2 LYS 65 16.934 4.080 9.728 513 2HG LYS 65 HG1 LYS 65 15.261 3.935 9.190 514 1HD LYS 65 HD2 LYS 65 15.523 2.027 11.226 515 2HD LYS 65 HD1 LYS 65 16.385 3.445 11.823 516 1HE LYS 65 HE2 LYS 65 14.320 4.173 12.440 517 2HE LYS 65 HE1 LYS 65 14.147 4.594 10.735 518 1HZ LYS 65 HZ3 LYS 65 13.379 2.169 10.493 519 2HZ LYS 65 HZ2 LYS 65 13.128 2.231 12.173 520 3HZ LYS 65 HZ1 LYS 65 12.296 3.300 11.146 521 H ASP 66 HN ASP 66 17.069 1.813 5.034 522 HA ASP 66 HA ASP 66 19.236 -0.124 5.713 523 1HB ASP 66 HB2 ASP 66 16.880 -1.161 5.181 524 2HB ASP 66 HB1 ASP 66 17.286 -0.760 3.513 525 H THR 67 HN THR 67 20.836 -0.344 4.075 526 HA THR 67 HA THR 67 20.956 1.966 2.245 527 HB THR 67 HB THR 67 23.112 -0.103 2.342 528 HG1 THR 67 HG1 THR 67 23.217 0.087 4.418 529 1HG2 THR 67 HG21 THR 67 22.952 2.913 2.191 530 2HG2 THR 67 HG23 THR 67 24.474 2.038 2.357 531 3HG2 THR 67 HG22 THR 67 23.471 1.801 0.925 532 NH1 ARG 68 NH2 ARG 68 21.265 -6.500 -1.908 533 NH2 ARG 68 NH1 ARG 68 19.543 -7.771 -2.623 534 H ARG 68 HN ARG 68 20.305 -1.451 2.111 535 HA ARG 68 HA ARG 68 21.067 -2.103 -0.511 536 1HB ARG 68 HB2 ARG 68 19.619 -3.352 1.473 537 2HB ARG 68 HB1 ARG 68 18.404 -3.110 0.218 538 1HG ARG 68 HG2 ARG 68 21.130 -4.324 -0.298 539 2HG ARG 68 HG1 ARG 68 19.677 -5.276 0.005 540 1HD ARG 68 HD2 ARG 68 18.809 -3.544 -1.933 541 2HD ARG 68 HD1 ARG 68 20.485 -3.788 -2.416 542 HE ARG 68 HE ARG 68 18.351 -5.645 -2.782 543 1HH1 ARG 68 HH21 ARG 68 21.665 -5.610 -1.704 544 2HH1 ARG 68 HH22 ARG 68 21.825 -7.325 -1.824 545 1HH2 ARG 68 HH11 ARG 68 18.606 -7.854 -2.961 546 2HH2 ARG 68 HH12 ARG 68 20.120 -8.584 -2.546 547 H CYS 69 HN CYS 69 17.954 -0.667 0.540 548 HA CYS 69 HA CYS 69 17.093 -0.310 -2.225 549 1HB CYS 69 HB2 CYS 69 15.578 -0.630 -0.171 550 2HB CYS 69 HB1 CYS 69 15.905 1.065 0.188 551 H LEU 70 HN LEU 70 18.808 1.618 0.150 552 HA LEU 70 HA LEU 70 18.351 4.166 -1.149 553 1HB LEU 70 HB2 LEU 70 20.475 3.229 0.793 554 2HB LEU 70 HB1 LEU 70 20.355 4.890 0.218 555 HG LEU 70 HG LEU 70 18.126 3.386 1.618 556 1HD1 LEU 70 HD12 LEU 70 20.404 4.296 2.807 557 2HD1 LEU 70 HD11 LEU 70 19.399 5.743 2.879 558 3HD1 LEU 70 HD13 LEU 70 18.835 4.240 3.610 559 1HD2 LEU 70 HD22 LEU 70 18.449 6.182 0.528 560 2HD2 LEU 70 HD21 LEU 70 17.129 5.043 0.259 561 3HD2 LEU 70 HD23 LEU 70 17.302 5.838 1.823 562 H GLY 71 HN GLY 71 21.575 2.703 -0.770 563 1HA GLY 71 HA2 GLY 71 22.701 1.894 -2.909 564 2HA GLY 71 HA1 GLY 71 22.078 3.376 -3.640 565 H ALA 72 HN ALA 72 24.245 4.104 -4.104 566 HA ALA 72 HA ALA 72 25.647 5.136 -1.674 567 1HB ALA 72 HB1 ALA 72 26.767 3.119 -2.807 568 2HB ALA 72 HB3 ALA 72 27.098 4.206 -4.156 569 3HB ALA 72 HB2 ALA 72 27.772 4.547 -2.562 570 H THR 73 HN THR 73 23.820 6.698 -3.064 571 HA THR 73 HA THR 73 25.641 8.707 -4.284 572 HB THR 73 HB THR 73 22.995 7.872 -5.513 573 HG1 THR 73 HG1 THR 73 24.244 6.943 -7.084 574 1HG2 THR 73 HG23 THR 73 24.880 10.121 -5.912 575 2HG2 THR 73 HG22 THR 73 24.312 9.333 -7.384 576 3HG2 THR 73 HG21 THR 73 23.152 10.026 -6.250 577 H ALA 74 HN ALA 74 24.903 10.869 -4.003 578 HA ALA 74 HA ALA 74 23.146 11.249 -1.710 579 1HB ALA 74 HB3 ALA 74 25.171 12.675 -2.256 580 2HB ALA 74 HB2 ALA 74 24.233 13.372 -3.578 581 3HB ALA 74 HB1 ALA 74 23.700 13.585 -1.910 582 H GLN 75 HN GLN 75 22.953 12.009 -5.192 583 HA GLN 75 HA GLN 75 20.442 13.301 -5.190 584 1HB GLN 75 HB2 GLN 75 22.153 12.793 -7.136 585 2HB GLN 75 HB1 GLN 75 21.136 11.373 -7.385 586 1HG GLN 75 HG2 GLN 75 19.537 12.618 -8.367 587 2HG GLN 75 HG1 GLN 75 19.496 13.724 -6.994 588 1HE2 GLN 75 HE22 GLN 75 22.164 14.605 -10.011 589 2HE2 GLN 75 HE21 GLN 75 21.868 12.979 -9.628 590 H GLN 76 HN GLN 76 21.193 9.825 -5.408 591 HA GLN 76 HA GLN 76 18.562 8.855 -5.743 592 1HB GLN 76 HB2 GLN 76 21.125 7.781 -4.746 593 2HB GLN 76 HB1 GLN 76 19.696 6.961 -4.120 594 1HG GLN 76 HG2 GLN 76 19.541 7.531 -6.998 595 2HG GLN 76 HG1 GLN 76 20.875 6.461 -6.571 596 1HE2 GLN 76 HE22 GLN 76 17.813 4.367 -7.093 597 2HE2 GLN 76 HE21 GLN 76 18.693 5.447 -8.062 598 H PHE 77 HN PHE 77 20.283 9.832 -2.807 599 HA PHE 77 HA PHE 77 18.398 8.943 -0.886 600 1HB PHE 77 HB2 PHE 77 20.712 10.602 -0.917 601 2HB PHE 77 HB1 PHE 77 19.434 11.503 -0.100 602 HD1 PHE 77 HD1 PHE 77 20.951 8.074 -0.217 603 HD2 PHE 77 HD2 PHE 77 18.991 11.073 2.150 604 HE1 PHE 77 HE1 PHE 77 21.243 6.668 1.805 605 HE2 PHE 77 HE2 PHE 77 19.284 9.669 4.173 606 HZ PHE 77 HZ PHE 77 20.409 7.466 4.000 607 H HIS 78 HN HIS 78 18.495 11.929 -2.808 608 HA HIS 78 HA HIS 78 16.298 13.247 -1.569 609 1HB HIS 78 HB2 HIS 78 17.904 14.265 -3.234 610 2HB HIS 78 HB1 HIS 78 17.040 13.394 -4.502 611 HD1 HIS 78 HD1 HIS 78 15.709 15.190 -5.655 612 HD2 HIS 78 HD2 HIS 78 15.384 15.428 -1.505 613 HE1 HIS 78 HE1 HIS 78 13.976 16.973 -5.172 614 NH1 ARG 79 NH2 ARG 79 11.084 10.226 -9.540 615 NH2 ARG 79 NH1 ARG 79 9.961 11.400 -7.974 616 H ARG 79 HN ARG 79 16.319 11.308 -4.574 617 HA ARG 79 HA ARG 79 13.497 11.288 -4.936 618 1HB ARG 79 HB2 ARG 79 15.770 9.581 -5.873 619 2HB ARG 79 HB1 ARG 79 14.127 8.980 -6.104 620 1HG ARG 79 HG2 ARG 79 14.328 11.789 -6.828 621 2HG ARG 79 HG1 ARG 79 15.476 10.810 -7.743 622 1HD ARG 79 HD2 ARG 79 13.622 10.530 -9.084 623 2HD ARG 79 HD1 ARG 79 13.349 9.202 -7.957 624 HE ARG 79 HE ARG 79 12.095 11.376 -6.768 625 1HH1 ARG 79 HH21 ARG 79 11.919 9.792 -9.874 626 2HH1 ARG 79 HH22 ARG 79 10.252 10.189 -10.094 627 1HH2 ARG 79 HH11 ARG 79 9.936 11.873 -7.093 628 2HH2 ARG 79 HH12 ARG 79 9.138 11.355 -8.540 629 H HIS 80 HN HIS 80 15.470 9.537 -2.664 630 HA HIS 80 HA HIS 80 13.488 7.438 -2.214 631 1HB HIS 80 HB2 HIS 80 16.174 7.709 -1.635 632 2HB HIS 80 HB1 HIS 80 15.415 7.923 -0.057 633 HD1 HIS 80 HD1 HIS 80 14.041 5.919 0.897 634 HD2 HIS 80 HD2 HIS 80 15.880 5.115 -2.757 635 HE1 HIS 80 HE1 HIS 80 13.881 3.415 0.552 636 H LYS 81 HN LYS 81 14.287 10.566 -0.817 637 HA LYS 81 HA LYS 81 12.838 10.358 1.614 638 1HB LYS 81 HB2 LYS 81 13.379 12.727 -0.194 639 2HB LYS 81 HB1 LYS 81 12.615 12.876 1.389 640 1HG LYS 81 HG2 LYS 81 14.768 11.351 2.038 641 2HG LYS 81 HG1 LYS 81 15.438 12.283 0.699 642 1HD LYS 81 HD2 LYS 81 15.486 14.190 1.915 643 2HD LYS 81 HD1 LYS 81 13.854 13.929 2.530 644 1HE LYS 81 HE2 LYS 81 15.749 13.899 4.262 645 2HE LYS 81 HE1 LYS 81 14.630 12.536 4.297 646 1HZ LYS 81 HZ2 LYS 81 16.939 12.270 2.551 647 2HZ LYS 81 HZ1 LYS 81 17.259 12.248 4.220 648 3HZ LYS 81 HZ3 LYS 81 16.190 11.116 3.548 649 H GLN 82 HN GLN 82 11.763 11.154 -1.665 650 HA GLN 82 HA GLN 82 9.088 11.914 -0.977 651 1HB GLN 82 HB2 GLN 82 10.387 10.871 -3.490 652 2HB GLN 82 HB1 GLN 82 8.647 11.153 -3.422 653 1HG GLN 82 HG2 GLN 82 9.722 13.455 -2.293 654 2HG GLN 82 HG1 GLN 82 10.830 13.085 -3.614 655 1HE2 GLN 82 HE22 GLN 82 6.880 13.678 -4.633 656 2HE2 GLN 82 HE21 GLN 82 7.240 12.909 -3.162 657 H LEU 83 HN LEU 83 10.598 8.788 -1.593 658 HA LEU 83 HA LEU 83 8.147 7.272 -1.737 659 1HB LEU 83 HB2 LEU 83 10.186 6.322 -2.623 660 2HB LEU 83 HB1 LEU 83 11.005 6.496 -1.074 661 HG LEU 83 HG LEU 83 9.332 4.889 -0.082 662 1HD1 LEU 83 HD11 LEU 83 8.304 5.099 -2.855 663 2HD1 LEU 83 HD13 LEU 83 8.355 3.471 -2.179 664 3HD1 LEU 83 HD12 LEU 83 7.443 4.739 -1.358 665 1HD2 LEU 83 HD23 LEU 83 11.637 4.369 -1.408 666 2HD2 LEU 83 HD22 LEU 83 10.665 3.115 -0.638 667 3HD2 LEU 83 HD21 LEU 83 10.511 3.410 -2.370 668 H ILE 84 HN ILE 84 10.400 7.968 0.944 669 HA ILE 84 HA ILE 84 9.051 6.347 2.875 670 HB ILE 84 HB ILE 84 10.573 8.871 3.537 671 1HG1 ILE 84 HG12 ILE 84 12.081 7.847 2.050 672 2HG1 ILE 84 HG11 ILE 84 12.559 7.174 3.606 673 1HG2 ILE 84 HG22 ILE 84 10.179 6.190 4.896 674 2HG2 ILE 84 HG21 ILE 84 11.285 7.436 5.473 675 3HG2 ILE 84 HG23 ILE 84 9.550 7.750 5.428 676 1HD1 ILE 84 HD13 ILE 84 10.768 5.319 2.978 677 2HD1 ILE 84 HD12 ILE 84 11.119 5.856 1.335 678 3HD1 ILE 84 HD11 ILE 84 12.415 5.233 2.354 679 NH1 ARG 85 NH2 ARG 85 7.095 15.032 1.792 680 NH2 ARG 85 NH1 ARG 85 7.978 16.733 2.986 681 H ARG 85 HN ARG 85 8.582 9.718 1.889 682 HA ARG 85 HA ARG 85 6.748 10.369 4.017 683 1HB ARG 85 HB2 ARG 85 7.673 11.604 1.504 684 2HB ARG 85 HB1 ARG 85 6.028 12.035 1.965 685 1HG ARG 85 HG2 ARG 85 6.825 13.452 3.517 686 2HG ARG 85 HG1 ARG 85 7.643 12.116 4.322 687 1HD ARG 85 HD2 ARG 85 9.655 12.764 3.542 688 2HD ARG 85 HD1 ARG 85 9.053 12.934 1.898 689 HE ARG 85 HE ARG 85 9.613 15.068 3.705 690 1HH1 ARG 85 HH21 ARG 85 7.112 14.084 1.482 691 2HH1 ARG 85 HH22 ARG 85 6.394 15.655 1.443 692 1HH2 ARG 85 HH11 ARG 85 8.677 17.088 3.606 693 2HH2 ARG 85 HH12 ARG 85 7.278 17.346 2.619 694 H PHE 86 HN PHE 86 6.264 9.293 0.660 695 HA PHE 86 HA PHE 86 3.404 9.357 0.713 696 1HB PHE 86 HB2 PHE 86 5.495 8.432 -1.071 697 2HB PHE 86 HB1 PHE 86 4.153 7.290 -1.030 698 HD1 PHE 86 HD2 PHE 86 1.769 8.772 -0.731 699 HD2 PHE 86 HD1 PHE 86 5.321 9.896 -2.867 700 HE1 PHE 86 HE2 PHE 86 0.431 10.288 -2.161 701 HE2 PHE 86 HE1 PHE 86 3.983 11.413 -4.299 702 HZ PHE 86 HZ PHE 86 1.534 11.611 -3.946 703 H LEU 87 HN LEU 87 5.714 6.983 1.865 704 HA LEU 87 HA LEU 87 3.781 4.827 2.059 705 1HB LEU 87 HB2 LEU 87 6.580 5.289 3.029 706 2HB LEU 87 HB1 LEU 87 5.644 3.950 3.700 707 HG LEU 87 HG LEU 87 5.791 4.373 0.723 708 1HD1 LEU 87 HD12 LEU 87 8.119 4.267 1.644 709 2HD1 LEU 87 HD11 LEU 87 7.719 2.709 2.366 710 3HD1 LEU 87 HD13 LEU 87 7.714 2.894 0.614 711 1HD2 LEU 87 HD22 LEU 87 4.697 2.430 2.594 712 2HD2 LEU 87 HD21 LEU 87 4.387 2.612 0.867 713 3HD2 LEU 87 HD23 LEU 87 5.766 1.662 1.419 714 H LYS 88 HN LYS 88 5.323 6.900 4.568 715 HA LYS 88 HA LYS 88 3.798 5.925 6.741 716 1HB LYS 88 HB2 LYS 88 4.819 8.747 6.289 717 2HB LYS 88 HB1 LYS 88 4.288 8.091 7.838 718 1HG LYS 88 HG2 LYS 88 6.048 6.197 7.294 719 2HG LYS 88 HG1 LYS 88 6.745 7.433 6.246 720 1HD LYS 88 HD2 LYS 88 7.850 7.913 8.225 721 2HD LYS 88 HD1 LYS 88 6.437 8.954 8.399 722 1HE LYS 88 HE2 LYS 88 5.316 6.970 9.583 723 2HE LYS 88 HE1 LYS 88 6.925 6.251 9.663 724 1HZ LYS 88 HZ3 LYS 88 7.231 8.855 10.497 725 2HZ LYS 88 HZ2 LYS 88 5.805 8.321 11.250 726 3HZ LYS 88 HZ1 LYS 88 7.257 7.466 11.470 727 NH1 ARG 89 NH2 ARG 89 -1.291 13.901 1.462 728 NH2 ARG 89 NH1 ARG 89 -2.879 12.930 0.183 729 H ARG 89 HN ARG 89 2.945 8.206 4.204 730 HA ARG 89 HA ARG 89 0.551 9.190 5.501 731 1HB ARG 89 HB2 ARG 89 1.493 10.536 3.756 732 2HB ARG 89 HB1 ARG 89 1.484 9.187 2.621 733 1HG ARG 89 HG2 ARG 89 -0.782 9.354 2.225 734 2HG ARG 89 HG1 ARG 89 -1.123 9.985 3.836 735 1HD ARG 89 HD2 ARG 89 -0.572 12.162 3.253 736 2HD ARG 89 HD1 ARG 89 0.519 11.652 1.965 737 HE ARG 89 HE ARG 89 -1.997 10.834 1.107 738 1HH1 ARG 89 HH21 ARG 89 -0.535 13.840 2.110 739 2HH1 ARG 89 HH22 ARG 89 -1.590 14.797 1.134 740 1HH2 ARG 89 HH11 ARG 89 -3.345 12.112 -0.153 741 2HH2 ARG 89 HH12 ARG 89 -3.165 13.835 -0.136 742 H LEU 90 HN LEU 90 1.177 6.653 3.085 743 HA LEU 90 HA LEU 90 -1.586 5.906 2.768 744 1HB LEU 90 HB2 LEU 90 0.885 5.164 1.627 745 2HB LEU 90 HB1 LEU 90 0.224 3.689 2.334 746 HG LEU 90 HG LEU 90 -1.269 5.548 0.461 747 1HD1 LEU 90 HD13 LEU 90 0.704 3.777 -0.220 748 2HD1 LEU 90 HD12 LEU 90 -0.730 2.755 -0.317 749 3HD1 LEU 90 HD11 LEU 90 -0.631 4.230 -1.279 750 1HD2 LEU 90 HD22 LEU 90 -2.690 4.360 2.125 751 2HD2 LEU 90 HD21 LEU 90 -2.987 3.801 0.479 752 3HD2 LEU 90 HD23 LEU 90 -2.010 2.827 1.578 753 H ASP 91 HN ASP 91 0.741 5.238 5.260 754 HA ASP 91 HA ASP 91 -0.237 2.720 6.159 755 1HB ASP 91 HB2 ASP 91 1.707 3.208 7.265 756 2HB ASP 91 HB1 ASP 91 1.353 4.936 7.343 757 NH1 ARG 92 NH2 ARG 92 -6.534 9.858 8.614 758 NH2 ARG 92 NH1 ARG 92 -5.126 11.494 9.279 759 H ARG 92 HN ARG 92 -1.049 5.992 7.401 760 HA ARG 92 HA ARG 92 -3.221 4.910 9.008 761 1HB ARG 92 HB2 ARG 92 -1.777 7.084 9.360 762 2HB ARG 92 HB1 ARG 92 -3.004 7.823 8.332 763 1HG ARG 92 HG2 ARG 92 -4.053 6.084 10.483 764 2HG ARG 92 HG1 ARG 92 -3.257 7.559 11.034 765 1HD ARG 92 HD2 ARG 92 -5.314 7.605 8.826 766 2HD ARG 92 HD1 ARG 92 -5.781 7.708 10.524 767 HE ARG 92 HE ARG 92 -3.840 9.656 10.272 768 1HH1 ARG 92 HH21 ARG 92 -6.793 8.896 8.568 769 2HH1 ARG 92 HH22 ARG 92 -7.112 10.548 8.179 770 1HH2 ARG 92 HH11 ARG 92 -4.294 11.788 9.750 771 2HH2 ARG 92 HH12 ARG 92 -5.717 12.170 8.840 772 H ASN 93 HN ASN 93 -2.938 6.136 5.747 773 HA ASN 93 HA ASN 93 -5.795 6.715 5.511 774 1HB ASN 93 HB2 ASN 93 -3.438 6.733 3.675 775 2HB ASN 93 HB1 ASN 93 -5.048 6.630 2.960 776 1HD2 ASN 93 HD22 ASN 93 -4.784 10.212 3.165 777 2HD2 ASN 93 HD21 ASN 93 -4.511 8.895 2.130 778 H LEU 94 HN LEU 94 -3.875 3.848 5.284 779 HA LEU 94 HA LEU 94 -5.778 2.484 3.502 780 1HB LEU 94 HB2 LEU 94 -3.127 2.088 4.019 781 2HB LEU 94 HB1 LEU 94 -3.852 0.852 5.043 782 HG LEU 94 HG LEU 94 -5.177 0.071 3.071 783 1HD1 LEU 94 HD13 LEU 94 -4.264 2.529 1.992 784 2HD1 LEU 94 HD12 LEU 94 -3.525 1.246 1.034 785 3HD1 LEU 94 HD11 LEU 94 -5.278 1.321 1.205 786 1HD2 LEU 94 HD21 LEU 94 -2.252 -0.051 3.374 787 2HD2 LEU 94 HD23 LEU 94 -3.412 -1.358 3.136 788 3HD2 LEU 94 HD22 LEU 94 -2.814 -0.444 1.750 789 CH2 TRP 95 CH2 TRP 95 -6.987 2.242 13.657 790 H TRP 95 HN TRP 95 -4.693 1.954 6.890 791 HA TRP 95 HA TRP 95 -7.129 0.353 7.357 792 1HB TRP 95 HB2 TRP 95 -6.033 -0.564 9.128 793 2HB TRP 95 HB1 TRP 95 -4.615 0.044 8.274 794 HD1 TRP 95 HD1 TRP 95 -3.345 2.049 9.272 795 HE1 TRP 95 HE1 TRP 95 -3.467 3.296 11.534 796 HE3 TRP 95 HE3 TRP 95 -7.745 0.205 11.028 797 HZ2 TRP 95 HZ2 TRP 95 -5.226 3.475 13.794 798 HZ3 TRP 95 HZ3 TRP 95 -8.632 0.917 13.232 799 HH2 TRP 95 HH2 TRP 95 -7.378 2.549 14.615 800 H GLY 96 HN GLY 96 -5.982 3.570 7.950 801 1HA GLY 96 HA2 GLY 96 -7.440 4.319 10.239 802 2HA GLY 96 HA1 GLY 96 -7.117 5.416 8.898 803 H LEU 97 HN LEU 97 -8.535 4.270 6.843 804 HA LEU 97 HA LEU 97 -11.287 4.925 7.588 805 1HB LEU 97 HB2 LEU 97 -10.173 5.473 5.353 806 2HB LEU 97 HB1 LEU 97 -10.329 3.761 4.962 807 HG LEU 97 HG LEU 97 -12.854 4.459 5.911 808 1HD1 LEU 97 HD13 LEU 97 -11.809 6.870 5.534 809 2HD1 LEU 97 HD12 LEU 97 -12.190 6.524 3.847 810 3HD1 LEU 97 HD11 LEU 97 -13.471 6.526 5.058 811 1HD2 LEU 97 HD21 LEU 97 -11.571 3.898 3.278 812 2HD2 LEU 97 HD23 LEU 97 -12.880 3.043 4.093 813 3HD2 LEU 97 HD22 LEU 97 -13.208 4.554 3.243 814 H ALA 98 HN ALA 98 -9.372 2.038 7.298 815 HA ALA 98 HA ALA 98 -11.339 0.109 6.703 816 1HB ALA 98 HB3 ALA 98 -8.898 -0.361 6.845 817 2HB ALA 98 HB2 ALA 98 -8.978 -0.167 8.595 818 3HB ALA 98 HB1 ALA 98 -9.840 -1.492 7.815 819 H GLY 99 HN GLY 99 -10.070 0.739 9.988 820 1HA GLY 99 HA2 GLY 99 -11.991 1.472 11.599 821 2HA GLY 99 HA1 GLY 99 -12.768 -0.005 11.037 822 H LEU 100 HN LEU 100 -10.754 -1.856 11.051 823 HA LEU 100 HA LEU 100 -10.226 -2.105 13.950 824 1HB LEU 100 HB2 LEU 100 -9.592 -4.115 11.777 825 2HB LEU 100 HB1 LEU 100 -9.767 -4.417 13.507 826 HG LEU 100 HG LEU 100 -12.169 -3.249 12.940 827 1HD1 LEU 100 HD12 LEU 100 -11.053 -4.389 10.442 828 2HD1 LEU 100 HD11 LEU 100 -12.710 -4.859 10.820 829 3HD1 LEU 100 HD13 LEU 100 -12.292 -3.154 10.663 830 1HD2 LEU 100 HD23 LEU 100 -11.437 -5.525 14.048 831 2HD2 LEU 100 HD22 LEU 100 -13.069 -5.357 13.398 832 3HD2 LEU 100 HD21 LEU 100 -11.829 -6.198 12.465 833 H ASN 101 HN ASN 101 -8.176 -2.085 14.850 834 HA ASN 101 HA ASN 101 -6.062 -0.846 13.292 835 1HB ASN 101 HB2 ASN 101 -6.603 -1.444 16.092 836 2HB ASN 101 HB1 ASN 101 -4.921 -1.765 15.667 837 1HD2 ASN 101 HD22 ASN 101 -6.059 2.026 16.157 838 2HD2 ASN 101 HD21 ASN 101 -6.951 0.690 16.705 839 H SER 102 HN SER 102 -5.620 -3.718 15.351 840 HA SER 102 HA SER 102 -3.618 -4.751 13.488 841 1HB SER 102 HB2 SER 102 -3.180 -6.401 15.146 842 2HB SER 102 HB1 SER 102 -3.561 -4.934 16.043 843 HG SER 102 HG SER 102 -5.522 -5.738 16.538 844 H CYS 103 HN CYS 103 -3.807 -6.581 12.178 845 HA CYS 103 HA CYS 103 -6.396 -8.022 12.182 846 1HB CYS 103 HB2 CYS 103 -6.201 -7.865 9.558 847 2HB CYS 103 HB1 CYS 103 -6.937 -6.541 10.460 848 HA PRO 104 HA PRO 104 -3.860 -11.549 11.613 849 1HB PRO 104 HB2 PRO 104 -5.608 -12.875 9.768 850 2HB PRO 104 HB1 PRO 104 -5.478 -13.132 11.514 851 1HG PRO 104 HG2 PRO 104 -7.626 -11.848 10.077 852 2HG PRO 104 HG1 PRO 104 -7.490 -12.112 11.822 853 1HD PRO 104 HD2 PRO 104 -7.205 -9.625 10.377 854 2HD PRO 104 HD1 PRO 104 -7.101 -9.891 12.129 855 H VAL 105 HN VAL 105 -2.057 -10.916 10.387 856 HA VAL 105 HA VAL 105 -2.400 -10.817 7.422 857 HB VAL 105 HB VAL 105 -0.158 -9.681 7.442 858 1HG1 VAL 105 HG12 VAL 105 -2.655 -8.649 8.638 859 2HG1 VAL 105 HG11 VAL 105 -1.217 -7.697 9.008 860 3HG1 VAL 105 HG13 VAL 105 -1.675 -7.989 7.330 861 1HG2 VAL 105 HG23 VAL 105 0.397 -10.747 9.745 862 2HG2 VAL 105 HG22 VAL 105 0.895 -9.076 9.477 863 3HG2 VAL 105 HG21 VAL 105 -0.548 -9.424 10.429 864 H LYS 106 HN LYS 106 -2.488 -13.347 8.198 865 HA LYS 106 HA LYS 106 0.257 -14.374 7.620 866 1HB LYS 106 HB2 LYS 106 -1.689 -15.416 9.698 867 2HB LYS 106 HB1 LYS 106 -0.247 -16.287 9.173 868 1HG LYS 106 HG2 LYS 106 0.572 -13.635 9.770 869 2HG LYS 106 HG1 LYS 106 -0.449 -14.170 11.106 870 1HD LYS 106 HD2 LYS 106 0.973 -15.904 11.685 871 2HD LYS 106 HD1 LYS 106 1.600 -16.073 10.045 872 1HE LYS 106 HE2 LYS 106 2.145 -13.560 11.603 873 2HE LYS 106 HE1 LYS 106 3.127 -14.999 11.881 874 1HZ LYS 106 HZ2 LYS 106 3.266 -15.015 9.308 875 2HZ LYS 106 HZ1 LYS 106 2.866 -13.371 9.450 876 3HZ LYS 106 HZ3 LYS 106 4.266 -13.967 10.197 877 H GLU 107 HN GLU 107 -1.752 -13.986 5.682 878 HA GLU 107 HA GLU 107 -2.539 -16.818 5.115 879 1HB GLU 107 HB2 GLU 107 -4.399 -15.020 5.566 880 2HB GLU 107 HB1 GLU 107 -4.005 -14.469 3.937 881 1HG GLU 107 HG2 GLU 107 -5.520 -16.045 3.295 882 2HG GLU 107 HG1 GLU 107 -4.178 -17.164 3.539 883 H ALA 108 HN ALA 108 -0.072 -16.106 4.387 884 HA ALA 108 HA ALA 108 -0.090 -16.495 1.559 885 1HB ALA 108 HB2 ALA 108 -0.366 -13.784 2.346 886 2HB ALA 108 HB1 ALA 108 1.286 -13.981 1.764 887 3HB ALA 108 HB3 ALA 108 -0.071 -14.410 0.724 888 H ASP 109 HN ASP 109 2.031 -16.905 0.794 889 HA ASP 109 HA ASP 109 3.971 -17.421 2.965 890 1HB ASP 109 HB2 ASP 109 3.865 -18.255 0.055 891 2HB ASP 109 HB1 ASP 109 5.225 -18.625 1.118 892 H GLN 110 HN GLN 110 4.735 -16.507 -0.392 893 HA GLN 110 HA GLN 110 5.810 -13.918 0.456 894 1HB GLN 110 HB2 GLN 110 7.495 -16.127 0.693 895 2HB GLN 110 HB1 GLN 110 7.953 -15.406 -0.849 896 1HG GLN 110 HG2 GLN 110 8.757 -13.503 0.127 897 2HG GLN 110 HG1 GLN 110 7.518 -13.499 1.380 898 1HE2 GLN 110 HE22 GLN 110 9.458 -15.382 3.685 899 2HE2 GLN 110 HE21 GLN 110 7.908 -14.798 3.319 900 H SER 111 HN SER 111 4.632 -12.946 -1.194 901 HA SER 111 HA SER 111 5.158 -13.897 -3.978 902 1HB SER 111 HB2 SER 111 2.864 -12.600 -2.634 903 2HB SER 111 HB1 SER 111 3.247 -11.952 -4.226 904 HG SER 111 HG SER 111 2.406 -13.690 -5.030 905 H THR 112 HN THR 112 6.376 -12.600 -5.321 906 HA THR 112 HA THR 112 8.016 -10.544 -4.380 907 HB THR 112 HB THR 112 8.164 -9.829 -6.816 908 HG1 THR 112 HG1 THR 112 5.872 -10.726 -7.053 909 1HG2 THR 112 HG21 THR 112 8.568 -12.621 -5.802 910 2HG2 THR 112 HG23 THR 112 8.881 -12.277 -7.505 911 3HG2 THR 112 HG22 THR 112 9.771 -11.411 -6.251 912 H LEU 113 HN LEU 113 7.831 -8.316 -4.186 913 HA LEU 113 HA LEU 113 5.229 -7.221 -3.750 914 1HB LEU 113 HB2 LEU 113 7.413 -6.393 -2.758 915 2HB LEU 113 HB1 LEU 113 7.728 -5.619 -4.311 916 HG LEU 113 HG LEU 113 5.028 -5.061 -3.425 917 1HD1 LEU 113 HD12 LEU 113 7.273 -4.683 -1.481 918 2HD1 LEU 113 HD11 LEU 113 6.048 -3.419 -1.602 919 3HD1 LEU 113 HD13 LEU 113 5.578 -5.064 -1.174 920 1HD2 LEU 113 HD22 LEU 113 7.497 -3.536 -4.221 921 2HD2 LEU 113 HD21 LEU 113 5.949 -3.653 -5.058 922 3HD2 LEU 113 HD23 LEU 113 6.088 -2.678 -3.595 923 H GLU 114 HN GLU 114 6.952 -7.688 -6.696 924 HA GLU 114 HA GLU 114 5.907 -5.413 -8.122 925 1HB GLU 114 HB2 GLU 114 7.693 -7.496 -8.662 926 2HB GLU 114 HB1 GLU 114 6.359 -7.754 -9.787 927 1HG GLU 114 HG2 GLU 114 6.653 -5.680 -10.822 928 2HG GLU 114 HG1 GLU 114 7.475 -4.990 -9.421 929 H ASN 115 HN ASN 115 4.806 -8.769 -7.702 930 HA ASN 115 HA ASN 115 2.425 -8.336 -9.356 931 1HB ASN 115 HB2 ASN 115 2.238 -10.590 -9.282 932 2HB ASN 115 HB1 ASN 115 3.810 -10.581 -8.481 933 1HD2 ASN 115 HD22 ASN 115 0.566 -11.740 -6.408 934 2HD2 ASN 115 HD21 ASN 115 0.541 -11.484 -8.085 935 H PHE 116 HN PHE 116 3.283 -7.780 -6.041 936 HA PHE 116 HA PHE 116 0.552 -7.951 -5.019 937 1HB PHE 116 HB2 PHE 116 2.162 -8.273 -3.336 938 2HB PHE 116 HB1 PHE 116 3.184 -6.966 -3.934 939 HD1 PHE 116 HD1 PHE 116 -0.426 -7.288 -2.932 940 HD2 PHE 116 HD2 PHE 116 3.271 -5.148 -2.492 941 HE1 PHE 116 HE1 PHE 116 -1.525 -5.713 -1.360 942 HE2 PHE 116 HE2 PHE 116 2.175 -3.573 -0.925 943 HZ PHE 116 HZ PHE 116 -0.222 -3.853 -0.356 944 H LEU 117 HN LEU 117 2.715 -5.428 -6.212 945 HA LEU 117 HA LEU 117 0.906 -3.241 -5.588 946 1HB LEU 117 HB2 LEU 117 3.559 -3.547 -6.665 947 2HB LEU 117 HB1 LEU 117 2.613 -2.518 -7.742 948 HG LEU 117 HG LEU 117 3.721 -1.181 -5.995 949 1HD1 LEU 117 HD11 LEU 117 0.958 -1.186 -6.639 950 2HD1 LEU 117 HD13 LEU 117 1.081 -0.831 -4.916 951 3HD1 LEU 117 HD12 LEU 117 1.934 0.175 -6.087 952 1HD2 LEU 117 HD22 LEU 117 2.740 -3.349 -4.324 953 2HD2 LEU 117 HD21 LEU 117 3.945 -2.118 -3.952 954 3HD2 LEU 117 HD23 LEU 117 2.234 -1.783 -3.690 955 H GLU 118 HN GLU 118 1.522 -5.349 -8.350 956 HA GLU 118 HA GLU 118 -0.078 -3.934 -10.256 957 1HB GLU 118 HB2 GLU 118 1.131 -5.576 -11.330 958 2HB GLU 118 HB1 GLU 118 1.007 -6.696 -9.974 959 1HG GLU 118 HG2 GLU 118 -1.124 -7.434 -10.612 960 2HG GLU 118 HG1 GLU 118 -1.437 -5.995 -11.585 961 NH1 ARG 119 NH2 ARG 119 -5.691 -11.904 -7.994 962 NH2 ARG 119 NH1 ARG 119 -4.126 -13.423 -8.581 963 H ARG 119 HN ARG 119 -0.845 -6.642 -8.081 964 HA ARG 119 HA ARG 119 -3.665 -6.698 -8.705 965 1HB ARG 119 HB2 ARG 119 -2.053 -7.731 -6.353 966 2HB ARG 119 HB1 ARG 119 -3.788 -7.996 -6.520 967 1HG ARG 119 HG2 ARG 119 -2.267 -8.642 -8.948 968 2HG ARG 119 HG1 ARG 119 -1.836 -9.639 -7.558 969 1HD ARG 119 HD2 ARG 119 -4.476 -9.753 -7.262 970 2HD ARG 119 HD1 ARG 119 -4.451 -9.416 -8.993 971 HE ARG 119 HE ARG 119 -2.631 -11.480 -8.695 972 1HH1 ARG 119 HH21 ARG 119 -5.966 -10.963 -7.805 973 2HH1 ARG 119 HH22 ARG 119 -6.363 -12.640 -7.922 974 1HH2 ARG 119 HH11 ARG 119 -3.187 -13.648 -8.843 975 2HH2 ARG 119 HH12 ARG 119 -4.811 -14.148 -8.506 976 H LEU 120 HN LEU 120 -1.748 -4.573 -6.740 977 HA LEU 120 HA LEU 120 -3.881 -3.860 -4.900 978 1HB LEU 120 HB2 LEU 120 -1.129 -3.331 -5.115 979 2HB LEU 120 HB1 LEU 120 -1.915 -1.762 -5.294 980 HG LEU 120 HG LEU 120 -2.602 -3.710 -3.079 981 1HD1 LEU 120 HD11 LEU 120 -0.236 -2.996 -2.906 982 2HD1 LEU 120 HD13 LEU 120 -0.744 -1.312 -3.001 983 3HD1 LEU 120 HD12 LEU 120 -1.216 -2.297 -1.618 984 1HD2 LEU 120 HD22 LEU 120 -3.933 -1.483 -4.046 985 2HD2 LEU 120 HD21 LEU 120 -4.114 -2.150 -2.423 986 3HD2 LEU 120 HD23 LEU 120 -2.989 -0.822 -2.711 987 H LYS 121 HN LYS 121 -2.519 -2.362 -7.843 988 HA LYS 121 HA LYS 121 -4.336 -0.129 -7.893 989 1HB LYS 121 HB2 LYS 121 -2.096 -0.675 -9.252 990 2HB LYS 121 HB1 LYS 121 -3.262 -1.266 -10.435 991 1HG LYS 121 HG2 LYS 121 -4.417 1.099 -9.745 992 2HG LYS 121 HG1 LYS 121 -2.710 1.507 -9.557 993 1HD LYS 121 HD2 LYS 121 -3.088 1.975 -11.823 994 2HD LYS 121 HD1 LYS 121 -2.432 0.339 -11.877 995 1HE LYS 121 HE2 LYS 121 -5.213 0.047 -11.480 996 2HE LYS 121 HE1 LYS 121 -5.026 1.274 -12.732 997 1HZ LYS 121 HZ2 LYS 121 -3.208 -0.537 -13.484 998 2HZ LYS 121 HZ1 LYS 121 -4.389 -1.547 -12.797 999 3HZ LYS 121 HZ3 LYS 121 -4.805 -0.498 -14.064 1000 H THR 122 HN THR 122 -4.462 -3.391 -9.163 1001 HA THR 122 HA THR 122 -6.786 -2.971 -10.820 1002 HB THR 122 HB THR 122 -6.771 -5.677 -9.984 1003 HG1 THR 122 HG1 THR 122 -4.323 -5.688 -10.778 1004 1HG2 THR 122 HG22 THR 122 -7.118 -4.595 -12.271 1005 2HG2 THR 122 HG21 THR 122 -5.361 -4.510 -12.389 1006 3HG2 THR 122 HG23 THR 122 -6.160 -6.076 -12.260 1007 H ILE 123 HN ILE 123 -6.394 -4.319 -7.560 1008 HA ILE 123 HA ILE 123 -9.121 -4.843 -7.029 1009 HB ILE 123 HB ILE 123 -6.843 -4.066 -5.198 1010 1HG1 ILE 123 HG12 ILE 123 -7.106 -6.322 -6.590 1011 2HG1 ILE 123 HG11 ILE 123 -6.519 -6.346 -4.926 1012 1HG2 ILE 123 HG21 ILE 123 -9.711 -4.795 -4.588 1013 2HG2 ILE 123 HG23 ILE 123 -8.418 -5.079 -3.424 1014 3HG2 ILE 123 HG22 ILE 123 -8.769 -3.439 -3.966 1015 1HD1 ILE 123 HD13 ILE 123 -9.465 -6.551 -5.530 1016 2HD1 ILE 123 HD12 ILE 123 -8.432 -7.981 -5.556 1017 3HD1 ILE 123 HD11 ILE 123 -8.604 -7.043 -4.073 1018 H MET 124 HN MET 124 -7.239 -1.855 -6.549 1019 HA MET 124 HA MET 124 -9.307 -0.350 -5.296 1020 1HB MET 124 HB2 MET 124 -7.117 0.641 -7.148 1021 2HB MET 124 HB1 MET 124 -8.088 1.652 -6.078 1022 1HG MET 124 HG2 MET 124 -6.473 -0.678 -5.037 1023 2HG MET 124 HG1 MET 124 -5.785 0.937 -5.196 1024 1HE MET 124 HE3 MET 124 -5.396 2.061 -3.567 1025 2HE MET 124 HE2 MET 124 -6.775 3.150 -3.446 1026 3HE MET 124 HE1 MET 124 -6.222 2.281 -2.018 1027 NH1 ARG 125 NH2 ARG 125 -9.201 0.505 -15.973 1028 NH2 ARG 125 NH1 ARG 125 -8.066 2.448 -16.145 1029 H ARG 125 HN ARG 125 -8.371 -0.426 -8.745 1030 HA ARG 125 HA ARG 125 -10.629 1.111 -9.615 1031 1HB ARG 125 HB2 ARG 125 -8.324 0.078 -10.787 1032 2HB ARG 125 HB1 ARG 125 -9.636 -0.765 -11.613 1033 1HG ARG 125 HG2 ARG 125 -10.585 1.821 -11.491 1034 2HG ARG 125 HG1 ARG 125 -8.857 2.064 -11.751 1035 1HD ARG 125 HD2 ARG 125 -9.491 -0.031 -13.467 1036 2HD ARG 125 HD1 ARG 125 -10.878 1.050 -13.598 1037 HE ARG 125 HE ARG 125 -8.698 2.745 -13.791 1038 1HH1 ARG 125 HH21 ARG 125 -9.740 -0.148 -15.443 1039 2HH1 ARG 125 HH22 ARG 125 -8.990 0.308 -16.931 1040 1HH2 ARG 125 HH11 ARG 125 -7.730 3.299 -15.740 1041 2HH2 ARG 125 HH12 ARG 125 -7.861 2.235 -17.101 1042 H GLU 126 HN GLU 126 -10.537 -2.119 -8.486 1043 HA GLU 126 HA GLU 126 -12.665 -3.095 -10.236 1044 1HB GLU 126 HB2 GLU 126 -10.946 -4.200 -8.129 1045 2HB GLU 126 HB1 GLU 126 -12.596 -4.823 -8.092 1046 1HG GLU 126 HG2 GLU 126 -12.379 -5.236 -10.589 1047 2HG GLU 126 HG1 GLU 126 -10.660 -4.882 -10.416 1048 H LYS 127 HN LYS 127 -12.529 -2.514 -6.685 1049 HA LYS 127 HA LYS 127 -15.483 -2.459 -6.649 1050 1HB LYS 127 HB2 LYS 127 -13.323 -2.646 -4.603 1051 2HB LYS 127 HB1 LYS 127 -14.870 -1.964 -4.100 1052 1HG LYS 127 HG2 LYS 127 -15.234 -4.235 -3.723 1053 2HG LYS 127 HG1 LYS 127 -15.870 -4.049 -5.359 1054 1HD LYS 127 HD2 LYS 127 -13.451 -4.609 -6.126 1055 2HD LYS 127 HD1 LYS 127 -13.240 -5.233 -4.488 1056 1HE LYS 127 HE2 LYS 127 -15.594 -6.067 -6.179 1057 2HE LYS 127 HE1 LYS 127 -14.041 -6.894 -6.305 1058 1HZ LYS 127 HZ3 LYS 127 -14.116 -7.318 -3.928 1059 2HZ LYS 127 HZ2 LYS 127 -15.615 -6.527 -3.813 1060 3HZ LYS 127 HZ1 LYS 127 -15.478 -7.973 -4.697 1061 OH TYR 128 OH TYR 128 -9.769 1.423 -1.696 1062 H TYR 128 HN TYR 128 -13.082 -0.124 -7.136 1063 HA TYR 128 HA TYR 128 -14.531 1.994 -5.673 1064 1HB TYR 128 HB2 TYR 128 -12.029 2.055 -7.380 1065 2HB TYR 128 HB1 TYR 128 -12.740 3.480 -6.649 1066 HD1 TYR 128 HD1 TYR 128 -12.256 -0.004 -5.218 1067 HD2 TYR 128 HD2 TYR 128 -11.310 4.181 -4.974 1068 HE1 TYR 128 HE1 TYR 128 -11.022 -0.409 -3.126 1069 HE2 TYR 128 HE2 TYR 128 -10.064 3.763 -2.877 1070 HH TYR 128 HH TYR 128 -9.803 2.224 -1.169 1071 H SER 129 HN SER 129 -15.248 0.453 -8.447 1072 HA SER 129 HA SER 129 -15.541 2.699 -10.275 1073 1HB SER 129 HB2 SER 129 -16.141 1.117 -11.804 1074 2HB SER 129 HB1 SER 129 -15.503 -0.006 -10.606 1075 HG SER 129 HG SER 129 -17.639 -0.138 -9.754 1076 H LYS 130 HN LYS 130 -17.469 1.308 -7.728 1077 HA LYS 130 HA LYS 130 -20.037 2.237 -8.595 1078 1HB LYS 130 HB2 LYS 130 -19.145 0.694 -6.531 1079 2HB LYS 130 HB1 LYS 130 -19.531 2.194 -5.685 1080 1HG LYS 130 HG2 LYS 130 -21.689 1.908 -7.377 1081 2HG LYS 130 HG1 LYS 130 -21.331 0.236 -6.942 1082 1HD LYS 130 HD2 LYS 130 -21.193 2.048 -4.646 1083 2HD LYS 130 HD1 LYS 130 -22.786 2.023 -5.400 1084 1HE LYS 130 HE2 LYS 130 -22.782 0.267 -3.769 1085 2HE LYS 130 HE1 LYS 130 -22.645 -0.515 -5.343 1086 1HZ LYS 130 HZ2 LYS 130 -20.070 0.106 -4.477 1087 2HZ LYS 130 HZ1 LYS 130 -20.869 -0.634 -3.174 1088 3HZ LYS 130 HZ3 LYS 130 -20.765 -1.432 -4.666 1089 H CYS 131 HN CYS 131 -17.300 3.991 -7.437 1090 HA CYS 131 HA CYS 131 -19.058 6.280 -6.676 1091 1HB CYS 131 HB2 CYS 131 -16.103 5.853 -6.146 1092 2HB CYS 131 HB1 CYS 131 -17.068 7.210 -5.566 1093 H SER 132 HN SER 132 -15.808 5.962 -8.157 1094 HA SER 132 HA SER 132 -15.845 8.394 -9.562 1095 1HB SER 132 HB2 SER 132 -13.815 7.063 -9.396 1096 2HB SER 132 HB1 SER 132 -14.551 5.761 -10.327 1097 HG SER 132 HG SER 132 -13.403 8.101 -11.156 1098 H SER 133 HN SER 133 -16.278 8.847 -11.836 1099 HA SER 133 HA SER 133 -17.939 6.889 -13.302 1100 1HB SER 133 HB2 SER 133 -19.314 8.536 -11.713 1101 2HB SER 133 HB1 SER 133 -19.075 9.645 -13.059 1102 HG SER 133 HG SER 133 -20.480 8.540 -14.157 Start of MODEL 15 Raw file had 1102 H/Q atoms Start of MODEL 15 1 1H GLU 1 HT3 GLU 1 -16.394 15.312 11.023 2 2H GLU 1 HT2 GLU 1 -17.677 15.414 9.917 3 3H GLU 1 HT1 GLU 1 -16.257 16.311 9.660 4 HA GLU 1 HA GLU 1 -16.757 17.870 11.236 5 1HB GLU 1 HB2 GLU 1 -18.843 17.095 9.488 6 2HB GLU 1 HB1 GLU 1 -19.603 17.429 11.044 7 1HG GLU 1 HG2 GLU 1 -18.395 19.610 11.126 8 2HG GLU 1 HG1 GLU 1 -17.756 19.282 9.514 9 H ALA 2 HN ALA 2 -19.376 15.509 11.850 10 HA ALA 2 HA ALA 2 -18.467 15.276 14.656 11 1HB ALA 2 HB2 ALA 2 -21.060 16.532 13.776 12 2HB ALA 2 HB1 ALA 2 -20.956 15.690 15.324 13 3HB ALA 2 HB3 ALA 2 -19.926 17.084 15.008 14 H GLU 3 HN GLU 3 -21.069 14.401 12.351 15 HA GLU 3 HA GLU 3 -20.705 11.572 13.202 16 1HB GLU 3 HB2 GLU 3 -23.176 11.265 13.238 17 2HB GLU 3 HB1 GLU 3 -22.628 12.389 14.481 18 1HG GLU 3 HG2 GLU 3 -23.977 13.977 13.636 19 2HG GLU 3 HG1 GLU 3 -23.104 13.893 12.104 20 H ALA 4 HN ALA 4 -19.543 11.767 11.021 21 HA ALA 4 HA ALA 4 -21.374 10.827 8.934 22 1HB ALA 4 HB1 ALA 4 -21.116 13.485 8.946 23 2HB ALA 4 HB3 ALA 4 -19.645 13.092 8.054 24 3HB ALA 4 HB2 ALA 4 -21.215 12.572 7.441 25 H HIS 5 HN HIS 5 -19.719 10.913 6.738 26 HA HIS 5 HA HIS 5 -17.022 10.039 7.495 27 1HB HIS 5 HB2 HIS 5 -17.917 7.897 5.907 28 2HB HIS 5 HB1 HIS 5 -17.525 7.841 7.626 29 HD1 HIS 5 HD1 HIS 5 -19.487 7.959 9.314 30 HD2 HIS 5 HD2 HIS 5 -20.712 8.019 5.330 31 HE1 HIS 5 HE1 HIS 5 -21.992 7.599 9.332 32 H LYS 6 HN LYS 6 -15.631 10.394 5.789 33 HA LYS 6 HA LYS 6 -16.881 11.338 3.261 34 1HB LYS 6 HB2 LYS 6 -14.421 11.979 4.741 35 2HB LYS 6 HB1 LYS 6 -14.179 11.797 3.003 36 1HG LYS 6 HG2 LYS 6 -14.753 14.088 3.315 37 2HG LYS 6 HG1 LYS 6 -16.223 13.320 2.715 38 1HD LYS 6 HD2 LYS 6 -15.903 13.263 5.653 39 2HD LYS 6 HD1 LYS 6 -16.120 14.872 4.964 40 1HE LYS 6 HE2 LYS 6 -17.975 13.198 3.638 41 2HE LYS 6 HE1 LYS 6 -18.085 12.790 5.350 42 1HZ LYS 6 HZ2 LYS 6 -17.938 15.622 4.675 43 2HZ LYS 6 HZ1 LYS 6 -19.384 14.821 4.289 44 3HZ LYS 6 HZ3 LYS 6 -18.828 14.838 5.890 45 H CYS 7 HN CYS 7 -17.377 9.150 2.576 46 HA CYS 7 HA CYS 7 -15.116 7.325 2.070 47 1HB CYS 7 HB2 CYS 7 -17.173 6.341 2.872 48 2HB CYS 7 HB1 CYS 7 -18.096 7.106 1.583 49 H ASP 8 HN ASP 8 -16.851 9.764 0.324 50 HA ASP 8 HA ASP 8 -16.201 8.582 -2.298 51 1HB ASP 8 HB2 ASP 8 -18.323 9.719 -2.127 52 2HB ASP 8 HB1 ASP 8 -17.543 11.176 -1.511 53 H ILE 9 HN ILE 9 -15.105 11.309 -0.300 54 HA ILE 9 HA ILE 9 -13.226 12.133 -2.420 55 HB ILE 9 HB ILE 9 -13.309 13.236 0.380 56 1HG1 ILE 9 HG12 ILE 9 -15.635 13.204 -0.478 57 2HG1 ILE 9 HG11 ILE 9 -15.012 14.846 -0.370 58 1HG2 ILE 9 HG21 ILE 9 -11.531 13.813 -1.405 59 2HG2 ILE 9 HG23 ILE 9 -12.822 14.695 -2.217 60 3HG2 ILE 9 HG22 ILE 9 -12.333 15.152 -0.586 61 1HD1 ILE 9 HD11 ILE 9 -14.496 13.547 -2.963 62 2HD1 ILE 9 HD13 ILE 9 -16.205 13.774 -2.598 63 3HD1 ILE 9 HD12 ILE 9 -15.118 15.161 -2.614 64 H THR 10 HN THR 10 -12.899 11.136 1.020 65 HA THR 10 HA THR 10 -10.108 11.021 1.136 66 HB THR 10 HB THR 10 -12.132 9.196 2.453 67 HG1 THR 10 HG1 THR 10 -11.798 11.655 2.791 68 1HG2 THR 10 HG23 THR 10 -9.201 9.178 2.439 69 2HG2 THR 10 HG22 THR 10 -9.889 9.282 4.060 70 3HG2 THR 10 HG21 THR 10 -10.329 7.943 2.999 71 H LEU 11 HN LEU 11 -12.314 8.526 -0.143 72 HA LEU 11 HA LEU 11 -10.189 6.603 -0.549 73 1HB LEU 11 HB2 LEU 11 -13.001 6.596 -0.700 74 2HB LEU 11 HB1 LEU 11 -12.439 6.200 -2.324 75 HG LEU 11 HG LEU 11 -11.043 4.393 -1.440 76 1HD1 LEU 11 HD12 LEU 11 -11.372 5.827 1.011 77 2HD1 LEU 11 HD11 LEU 11 -12.031 4.206 1.238 78 3HD1 LEU 11 HD13 LEU 11 -10.363 4.412 0.703 79 1HD2 LEU 11 HD23 LEU 11 -13.734 4.312 -1.683 80 2HD2 LEU 11 HD22 LEU 11 -12.777 2.909 -1.209 81 3HD2 LEU 11 HD21 LEU 11 -13.583 3.883 0.021 82 H GLN 12 HN GLN 12 -11.559 9.177 -2.539 83 HA GLN 12 HA GLN 12 -10.432 8.295 -5.038 84 1HB GLN 12 HB2 GLN 12 -11.814 10.621 -4.030 85 2HB GLN 12 HB1 GLN 12 -10.417 11.136 -4.970 86 1HG GLN 12 HG2 GLN 12 -12.605 9.247 -5.889 87 2HG GLN 12 HG1 GLN 12 -12.347 10.898 -6.445 88 1HE2 GLN 12 HE22 GLN 12 -9.052 9.663 -7.902 89 2HE2 GLN 12 HE21 GLN 12 -9.395 10.680 -6.590 90 H GLU 13 HN GLU 13 -9.288 10.735 -2.705 91 HA GLU 13 HA GLU 13 -6.757 11.194 -3.912 92 1HB GLU 13 HB2 GLU 13 -8.028 11.685 -1.294 93 2HB GLU 13 HB1 GLU 13 -6.271 11.542 -1.233 94 1HG GLU 13 HG2 GLU 13 -6.474 13.798 -1.713 95 2HG GLU 13 HG1 GLU 13 -6.405 13.140 -3.349 96 H ILE 14 HN ILE 14 -7.915 8.644 -1.786 97 HA ILE 14 HA ILE 14 -5.360 7.579 -1.022 98 HB ILE 14 HB ILE 14 -8.179 6.765 -0.876 99 1HG1 ILE 14 HG12 ILE 14 -6.031 5.750 0.936 100 2HG1 ILE 14 HG11 ILE 14 -6.323 7.491 0.905 101 1HG2 ILE 14 HG22 ILE 14 -6.012 4.671 -1.266 102 2HG2 ILE 14 HG21 ILE 14 -7.574 4.332 -0.520 103 3HG2 ILE 14 HG23 ILE 14 -7.499 4.863 -2.198 104 1HD1 ILE 14 HD13 ILE 14 -8.880 6.381 0.971 105 2HD1 ILE 14 HD12 ILE 14 -7.950 5.369 2.073 106 3HD1 ILE 14 HD11 ILE 14 -8.032 7.111 2.334 107 H ILE 15 HN ILE 15 -7.492 6.986 -3.778 108 HA ILE 15 HA ILE 15 -6.062 4.750 -4.840 109 HB ILE 15 HB ILE 15 -8.170 6.607 -5.725 110 1HG1 ILE 15 HG12 ILE 15 -8.054 3.851 -6.756 111 2HG1 ILE 15 HG11 ILE 15 -7.949 3.951 -4.998 112 1HG2 ILE 15 HG21 ILE 15 -6.258 5.326 -7.682 113 2HG2 ILE 15 HG23 ILE 15 -7.903 5.791 -8.120 114 3HG2 ILE 15 HG22 ILE 15 -6.750 7.017 -7.594 115 1HD1 ILE 15 HD11 ILE 15 -9.961 5.782 -5.756 116 2HD1 ILE 15 HD13 ILE 15 -10.253 4.320 -6.698 117 3HD1 ILE 15 HD12 ILE 15 -10.177 4.235 -4.939 118 H LYS 16 HN LYS 16 -5.919 8.231 -5.646 119 HA LYS 16 HA LYS 16 -3.910 8.066 -7.628 120 1HB LYS 16 HB2 LYS 16 -4.851 10.169 -5.739 121 2HB LYS 16 HB1 LYS 16 -3.279 10.422 -6.494 122 1HG LYS 16 HG2 LYS 16 -4.228 10.938 -8.467 123 2HG LYS 16 HG1 LYS 16 -5.199 9.468 -8.442 124 1HD LYS 16 HD2 LYS 16 -6.985 10.834 -8.173 125 2HD LYS 16 HD1 LYS 16 -6.421 11.045 -6.517 126 1HE LYS 16 HE2 LYS 16 -5.985 13.214 -6.918 127 2HE LYS 16 HE1 LYS 16 -4.895 12.770 -8.232 128 1HZ LYS 16 HZ1 LYS 16 -7.847 12.995 -8.468 129 2HZ LYS 16 HZ3 LYS 16 -6.736 14.172 -8.979 130 3HZ LYS 16 HZ2 LYS 16 -6.761 12.646 -9.728 131 H THR 17 HN THR 17 -3.633 8.218 -4.102 132 HA THR 17 HA THR 17 -0.779 8.440 -4.010 133 HB THR 17 HB THR 17 -2.543 7.069 -1.960 134 HG1 THR 17 HG1 THR 17 -2.571 9.244 -1.060 135 1HG2 THR 17 HG21 THR 17 0.134 8.460 -1.867 136 2HG2 THR 17 HG23 THR 17 -0.791 8.063 -0.422 137 3HG2 THR 17 HG22 THR 17 -0.211 6.777 -1.482 138 H LEU 18 HN LEU 18 -2.956 5.641 -4.144 139 HA LEU 18 HA LEU 18 -0.953 3.657 -3.735 140 1HB LEU 18 HB2 LEU 18 -3.514 3.353 -3.721 141 2HB LEU 18 HB1 LEU 18 -3.405 3.295 -5.474 142 HG LEU 18 HG LEU 18 -3.400 1.039 -4.295 143 1HD1 LEU 18 HD11 LEU 18 -2.166 1.861 -6.587 144 2HD1 LEU 18 HD13 LEU 18 -0.826 1.113 -5.720 145 3HD1 LEU 18 HD12 LEU 18 -2.279 0.181 -6.064 146 1HD2 LEU 18 HD21 LEU 18 -1.702 2.036 -2.545 147 2HD2 LEU 18 HD23 LEU 18 -1.603 0.339 -3.008 148 3HD2 LEU 18 HD22 LEU 18 -0.499 1.517 -3.723 149 H ASN 19 HN ASN 19 -1.985 5.468 -6.565 150 HA ASN 19 HA ASN 19 -0.428 3.822 -8.415 151 1HB ASN 19 HB2 ASN 19 -2.415 4.933 -9.260 152 2HB ASN 19 HB1 ASN 19 -1.797 6.504 -8.751 153 1HD2 ASN 19 HD22 ASN 19 0.075 6.950 -11.704 154 2HD2 ASN 19 HD21 ASN 19 -0.577 7.639 -10.296 155 H SER 20 HN SER 20 0.212 6.518 -6.326 156 HA SER 20 HA SER 20 2.474 7.536 -7.863 157 1HB SER 20 HB2 SER 20 2.910 8.926 -5.911 158 2HB SER 20 HB1 SER 20 1.177 8.931 -6.236 159 HG SER 20 HG SER 20 1.996 8.510 -3.985 160 H LEU 21 HN LEU 21 1.998 5.138 -5.323 161 HA LEU 21 HA LEU 21 4.794 4.882 -4.630 162 1HB LEU 21 HB2 LEU 21 2.533 2.873 -4.358 163 2HB LEU 21 HB1 LEU 21 4.125 2.725 -3.606 164 HG LEU 21 HG LEU 21 2.648 5.270 -3.147 165 1HD1 LEU 21 HD12 LEU 21 1.681 2.581 -2.336 166 2HD1 LEU 21 HD11 LEU 21 1.713 3.806 -1.067 167 3HD1 LEU 21 HD13 LEU 21 0.784 4.086 -2.541 168 1HD2 LEU 21 HD22 LEU 21 4.987 4.430 -2.258 169 2HD2 LEU 21 HD21 LEU 21 3.901 5.299 -1.175 170 3HD2 LEU 21 HD23 LEU 21 4.004 3.541 -1.094 171 H THR 22 HN THR 22 3.070 3.938 -7.452 172 HA THR 22 HA THR 22 4.842 1.653 -7.996 173 HB THR 22 HB THR 22 2.420 1.674 -8.673 174 HG1 THR 22 HG1 THR 22 2.880 0.683 -10.617 175 1HG2 THR 22 HG21 THR 22 3.156 4.168 -9.788 176 2HG2 THR 22 HG23 THR 22 2.812 3.098 -11.146 177 3HG2 THR 22 HG22 THR 22 1.592 3.362 -9.900 178 H GLU 23 HN GLU 23 5.302 4.955 -8.227 179 HA GLU 23 HA GLU 23 6.398 5.283 -10.834 180 1HB GLU 23 HB2 GLU 23 6.063 7.182 -9.287 181 2HB GLU 23 HB1 GLU 23 7.312 6.539 -8.221 182 1HG GLU 23 HG2 GLU 23 8.694 7.909 -9.413 183 2HG GLU 23 HG1 GLU 23 8.654 6.615 -10.610 184 H GLN 24 HN GLN 24 7.737 3.977 -7.845 185 HA GLN 24 HA GLN 24 10.189 3.128 -9.323 186 1HB GLN 24 HB2 GLN 24 9.624 3.936 -6.548 187 2HB GLN 24 HB1 GLN 24 10.568 2.453 -6.665 188 1HG GLN 24 HG2 GLN 24 11.389 4.647 -8.482 189 2HG GLN 24 HG1 GLN 24 11.681 4.919 -6.763 190 1HE2 GLN 24 HE22 GLN 24 14.546 2.892 -6.854 191 2HE2 GLN 24 HE21 GLN 24 13.765 4.264 -6.228 192 H LYS 25 HN LYS 25 8.368 1.647 -10.264 193 HA LYS 25 HA LYS 25 7.525 -0.574 -8.553 194 1HB LYS 25 HB2 LYS 25 6.174 -1.230 -10.350 195 2HB LYS 25 HB1 LYS 25 6.255 0.522 -10.555 196 1HG LYS 25 HG2 LYS 25 8.402 -0.050 -11.985 197 2HG LYS 25 HG1 LYS 25 7.639 -1.632 -12.120 198 1HD LYS 25 HD2 LYS 25 5.704 0.479 -12.579 199 2HD LYS 25 HD1 LYS 25 7.079 0.640 -13.673 200 1HE LYS 25 HE2 LYS 25 5.231 -0.851 -14.536 201 2HE LYS 25 HE1 LYS 25 6.816 -1.624 -14.455 202 1HZ LYS 25 HZ2 LYS 25 5.196 -1.816 -12.057 203 2HZ LYS 25 HZ1 LYS 25 4.608 -2.673 -13.402 204 3HZ LYS 25 HZ3 LYS 25 6.167 -2.986 -12.815 205 H THR 26 HN THR 26 10.526 -0.102 -9.576 206 HA THR 26 HA THR 26 10.842 -2.983 -10.292 207 HB THR 26 HB THR 26 12.810 -2.138 -11.765 208 HG1 THR 26 HG1 THR 26 11.180 0.133 -11.998 209 1HG2 THR 26 HG23 THR 26 10.024 -2.580 -12.245 210 2HG2 THR 26 HG22 THR 26 10.576 -1.285 -13.309 211 3HG2 THR 26 HG21 THR 26 11.380 -2.854 -13.338 212 H LEU 27 HN LEU 27 12.999 -0.195 -9.679 213 HA LEU 27 HA LEU 27 15.004 -1.773 -8.412 214 1HB LEU 27 HB2 LEU 27 14.798 0.839 -9.232 215 2HB LEU 27 HB1 LEU 27 14.807 1.009 -7.477 216 HG LEU 27 HG LEU 27 16.836 -0.622 -9.026 217 1HD1 LEU 27 HD11 LEU 27 16.620 2.138 -8.991 218 2HD1 LEU 27 HD13 LEU 27 17.748 1.813 -7.674 219 3HD1 LEU 27 HD12 LEU 27 18.101 1.234 -9.302 220 1HD2 LEU 27 HD21 LEU 27 16.338 0.037 -6.149 221 2HD2 LEU 27 HD23 LEU 27 16.915 -1.467 -6.867 222 3HD2 LEU 27 HD22 LEU 27 18.010 -0.097 -6.690 223 H CYS 28 HN CYS 28 12.490 0.294 -6.870 224 HA CYS 28 HA CYS 28 13.284 -0.718 -4.244 225 1HB CYS 28 HB2 CYS 28 11.989 1.561 -5.069 226 2HB CYS 28 HB1 CYS 28 10.669 0.603 -4.397 227 H THR 29 HN THR 29 11.328 -1.989 -6.712 228 HA THR 29 HA THR 29 9.515 -3.358 -4.821 229 HB THR 29 HB THR 29 8.576 -4.388 -6.897 230 HG1 THR 29 HG1 THR 29 10.413 -4.359 -8.178 231 1HG2 THR 29 HG21 THR 29 7.834 -2.175 -5.937 232 2HG2 THR 29 HG23 THR 29 8.895 -1.389 -7.105 233 3HG2 THR 29 HG22 THR 29 7.532 -2.358 -7.665 234 H GLU 30 HN GLU 30 12.647 -3.785 -5.498 235 HA GLU 30 HA GLU 30 12.711 -6.631 -6.110 236 1HB GLU 30 HB2 GLU 30 15.113 -6.392 -5.822 237 2HB GLU 30 HB1 GLU 30 14.520 -4.995 -6.725 238 1HG GLU 30 HG2 GLU 30 14.413 -3.700 -4.605 239 2HG GLU 30 HG1 GLU 30 15.090 -5.079 -3.745 240 H LEU 31 HN LEU 31 11.841 -4.970 -3.340 241 HA LEU 31 HA LEU 31 13.084 -6.889 -1.473 242 1HB LEU 31 HB2 LEU 31 11.282 -4.558 -0.776 243 2HB LEU 31 HB1 LEU 31 12.421 -5.398 0.276 244 HG LEU 31 HG LEU 31 13.910 -4.482 -1.961 245 1HD1 LEU 31 HD13 LEU 31 11.653 -2.815 -1.578 246 2HD1 LEU 31 HD12 LEU 31 13.016 -1.965 -0.856 247 3HD1 LEU 31 HD11 LEU 31 13.084 -2.467 -2.544 248 1HD2 LEU 31 HD22 LEU 31 13.715 -3.946 0.974 249 2HD2 LEU 31 HD21 LEU 31 15.070 -4.570 0.034 250 3HD2 LEU 31 HD23 LEU 31 14.694 -2.848 -0.001 251 H THR 32 HN THR 32 11.839 -8.659 -2.192 252 HA THR 32 HA THR 32 9.190 -9.086 -2.637 253 HB THR 32 HB THR 32 9.489 -11.292 -1.327 254 HG1 THR 32 HG1 THR 32 11.075 -10.637 0.090 255 1HG2 THR 32 HG22 THR 32 10.912 -10.258 -3.703 256 2HG2 THR 32 HG21 THR 32 11.591 -11.732 -3.011 257 3HG2 THR 32 HG23 THR 32 9.905 -11.697 -3.530 258 H VAL 33 HN VAL 33 7.273 -9.304 -1.475 259 HA VAL 33 HA VAL 33 7.322 -8.712 1.450 260 HB VAL 33 HB VAL 33 5.365 -7.246 1.166 261 1HG1 VAL 33 HG11 VAL 33 7.943 -6.678 -0.171 262 2HG1 VAL 33 HG13 VAL 33 6.619 -5.585 -0.564 263 3HG1 VAL 33 HG12 VAL 33 7.121 -5.801 1.113 264 1HG2 VAL 33 HG23 VAL 33 5.736 -7.917 -1.764 265 2HG2 VAL 33 HG22 VAL 33 4.317 -8.234 -0.767 266 3HG2 VAL 33 HG21 VAL 33 4.741 -6.577 -1.197 267 H THR 34 HN THR 34 4.304 -8.825 1.425 268 HA THR 34 HA THR 34 4.067 -11.765 0.965 269 HB THR 34 HB THR 34 3.403 -10.070 3.215 270 HG1 THR 34 HG1 THR 34 3.764 -11.920 4.163 271 1HG2 THR 34 HG22 THR 34 1.133 -11.704 2.037 272 2HG2 THR 34 HG21 THR 34 1.153 -11.054 3.671 273 3HG2 THR 34 HG23 THR 34 1.150 -9.958 2.291 274 H ASP 35 HN ASP 35 2.348 -12.522 -0.221 275 HA ASP 35 HA ASP 35 0.732 -10.501 -1.669 276 1HB ASP 35 HB2 ASP 35 1.892 -12.847 -2.512 277 2HB ASP 35 HB1 ASP 35 0.248 -13.380 -2.167 278 H ILE 36 HN ILE 36 -1.576 -10.426 -1.390 279 HA ILE 36 HA ILE 36 -2.621 -12.226 0.753 280 HB ILE 36 HB ILE 36 -3.623 -10.440 1.917 281 1HG1 ILE 36 HG12 ILE 36 -2.956 -8.652 -0.450 282 2HG1 ILE 36 HG11 ILE 36 -4.565 -9.258 -0.067 283 1HG2 ILE 36 HG22 ILE 36 -1.075 -10.580 1.992 284 2HG2 ILE 36 HG21 ILE 36 -1.059 -9.211 0.881 285 3HG2 ILE 36 HG23 ILE 36 -1.770 -9.034 2.485 286 1HD1 ILE 36 HD11 ILE 36 -2.895 -7.552 1.794 287 2HD1 ILE 36 HD13 ILE 36 -4.204 -6.946 0.778 288 3HD1 ILE 36 HD12 ILE 36 -4.549 -8.096 2.070 289 H PHE 37 HN PHE 37 -2.910 -12.110 -2.285 290 HA PHE 37 HA PHE 37 -5.900 -11.974 -2.310 291 1HB PHE 37 HB2 PHE 37 -4.190 -11.694 -4.778 292 2HB PHE 37 HB1 PHE 37 -5.869 -11.208 -4.541 293 HD1 PHE 37 HD2 PHE 37 -6.066 -9.600 -2.273 294 HD2 PHE 37 HD1 PHE 37 -2.717 -9.906 -4.942 295 HE1 PHE 37 HE2 PHE 37 -5.318 -7.335 -1.594 296 HE2 PHE 37 HE1 PHE 37 -1.972 -7.641 -4.266 297 HZ PHE 37 HZ PHE 37 -3.271 -6.353 -2.592 298 H ALA 38 HN ALA 38 -3.817 -14.250 -1.830 299 HA ALA 38 HA ALA 38 -4.316 -16.042 -4.102 300 1HB ALA 38 HB1 ALA 38 -2.257 -15.930 -2.404 301 2HB ALA 38 HB3 ALA 38 -3.267 -17.052 -1.493 302 3HB ALA 38 HB2 ALA 38 -2.762 -17.455 -3.134 303 H ALA 39 HN ALA 39 -5.790 -15.340 -1.019 304 HA ALA 39 HA ALA 39 -7.662 -17.616 -1.498 305 1HB ALA 39 HB2 ALA 39 -5.889 -17.526 0.595 306 2HB ALA 39 HB1 ALA 39 -7.321 -16.798 1.317 307 3HB ALA 39 HB3 ALA 39 -7.410 -18.415 0.615 308 H SER 40 HN SER 40 -8.561 -15.499 -2.621 309 HA SER 40 HA SER 40 -9.930 -13.678 -0.756 310 1HB SER 40 HB2 SER 40 -10.164 -13.916 -3.772 311 2HB SER 40 HB1 SER 40 -10.782 -12.594 -2.786 312 HG SER 40 HG SER 40 -8.058 -13.393 -2.953 313 H LYS 41 HN LYS 41 -11.596 -14.705 0.324 314 HA LYS 41 HA LYS 41 -13.505 -16.281 -1.354 315 1HB LYS 41 HB2 LYS 41 -12.158 -17.370 0.615 316 2HB LYS 41 HB1 LYS 41 -13.336 -16.543 1.636 317 1HG LYS 41 HG2 LYS 41 -14.515 -17.960 -0.661 318 2HG LYS 41 HG1 LYS 41 -13.722 -19.014 0.509 319 1HD LYS 41 HD2 LYS 41 -15.436 -18.773 1.941 320 2HD LYS 41 HD1 LYS 41 -15.236 -17.020 1.921 321 1HE LYS 41 HE2 LYS 41 -16.832 -16.715 0.278 322 2HE LYS 41 HE1 LYS 41 -16.551 -18.304 -0.435 323 1HZ LYS 41 HZ3 LYS 41 -17.787 -17.917 2.232 324 2HZ LYS 41 HZ2 LYS 41 -18.691 -18.054 0.802 325 3HZ LYS 41 HZ1 LYS 41 -17.717 -19.346 1.321 326 H ASP 42 HN ASP 42 -13.237 -13.949 1.316 327 HA ASP 42 HA ASP 42 -15.758 -12.696 0.487 328 1HB ASP 42 HB2 ASP 42 -16.209 -14.686 2.178 329 2HB ASP 42 HB1 ASP 42 -15.633 -13.523 3.372 330 H THR 43 HN THR 43 -13.675 -11.288 0.196 331 HA THR 43 HA THR 43 -13.130 -9.837 2.751 332 HB THR 43 HB THR 43 -11.011 -9.115 1.674 333 HG1 THR 43 HG1 THR 43 -11.813 -10.910 -0.369 334 1HG2 THR 43 HG21 THR 43 -11.749 -11.954 2.144 335 2HG2 THR 43 HG23 THR 43 -10.200 -11.660 1.356 336 3HG2 THR 43 HG22 THR 43 -10.527 -10.960 2.941 337 H THR 44 HN THR 44 -14.018 -7.854 2.874 338 HA THR 44 HA THR 44 -14.982 -6.544 0.408 339 HB THR 44 HB THR 44 -16.418 -6.652 2.469 340 HG1 THR 44 HG1 THR 44 -17.181 -4.661 2.145 341 1HG2 THR 44 HG21 THR 44 -14.304 -4.786 3.572 342 2HG2 THR 44 HG23 THR 44 -15.856 -5.121 4.335 343 3HG2 THR 44 HG22 THR 44 -14.668 -6.411 4.153 344 H GLU 45 HN GLU 45 -14.550 -3.898 0.673 345 HA GLU 45 HA GLU 45 -11.719 -3.686 0.206 346 1HB GLU 45 HB2 GLU 45 -12.094 -1.446 -0.338 347 2HB GLU 45 HB1 GLU 45 -13.649 -2.192 -0.696 348 1HG GLU 45 HG2 GLU 45 -14.299 -1.570 1.725 349 2HG GLU 45 HG1 GLU 45 -12.886 -0.514 1.693 350 H LYS 46 HN LYS 46 -13.729 -2.950 3.033 351 HA LYS 46 HA LYS 46 -11.741 -1.527 4.509 352 1HB LYS 46 HB2 LYS 46 -13.522 -1.322 5.859 353 2HB LYS 46 HB1 LYS 46 -14.374 -2.587 4.980 354 1HG LYS 46 HG2 LYS 46 -13.184 -4.294 6.381 355 2HG LYS 46 HG1 LYS 46 -12.460 -2.978 7.306 356 1HD LYS 46 HD2 LYS 46 -15.405 -3.668 7.072 357 2HD LYS 46 HD1 LYS 46 -14.404 -3.744 8.519 358 1HE LYS 46 HE2 LYS 46 -14.124 -1.302 8.479 359 2HE LYS 46 HE1 LYS 46 -15.089 -1.200 7.007 360 1HZ LYS 46 HZ2 LYS 46 -16.257 -2.589 9.295 361 2HZ LYS 46 HZ1 LYS 46 -16.148 -0.894 9.380 362 3HZ LYS 46 HZ3 LYS 46 -17.004 -1.626 8.110 363 H GLU 47 HN GLU 47 -12.450 -4.984 4.248 364 HA GLU 47 HA GLU 47 -10.543 -5.843 6.222 365 1HB GLU 47 HB2 GLU 47 -12.465 -7.028 4.533 366 2HB GLU 47 HB1 GLU 47 -10.926 -7.775 4.107 367 1HG GLU 47 HG2 GLU 47 -10.554 -8.076 6.628 368 2HG GLU 47 HG1 GLU 47 -12.263 -7.680 6.813 369 H THR 48 HN THR 48 -10.369 -5.736 2.648 370 HA THR 48 HA THR 48 -7.681 -6.658 2.461 371 HB THR 48 HB THR 48 -9.052 -4.747 0.562 372 HG1 THR 48 HG1 THR 48 -9.759 -6.688 -0.437 373 1HG2 THR 48 HG23 THR 48 -6.548 -6.240 0.574 374 2HG2 THR 48 HG22 THR 48 -7.551 -6.637 -0.822 375 3HG2 THR 48 HG21 THR 48 -7.087 -4.964 -0.518 376 H PHE 49 HN PHE 49 -8.936 -3.501 3.305 377 HA PHE 49 HA PHE 49 -6.461 -2.102 2.672 378 1HB PHE 49 HB2 PHE 49 -8.909 -1.334 4.267 379 2HB PHE 49 HB1 PHE 49 -7.510 -0.276 4.136 380 HD1 PHE 49 HD2 PHE 49 -6.716 -0.873 1.250 381 HD2 PHE 49 HD1 PHE 49 -10.547 -0.121 3.057 382 HE1 PHE 49 HE2 PHE 49 -7.588 -0.067 -0.908 383 HE2 PHE 49 HE1 PHE 49 -11.404 0.696 0.881 384 HZ PHE 49 HZ PHE 49 -9.923 0.723 -1.102 385 H CYS 50 HN CYS 50 -7.886 -3.503 5.621 386 HA CYS 50 HA CYS 50 -5.828 -2.501 7.373 387 1HB CYS 50 HB2 CYS 50 -7.329 -3.337 8.837 388 2HB CYS 50 HB1 CYS 50 -8.118 -4.269 7.568 389 NH1 ARG 51 NH2 ARG 51 -7.758 -11.506 3.547 390 NH2 ARG 51 NH1 ARG 51 -7.664 -12.691 5.468 391 H ARG 51 HN ARG 51 -6.143 -5.559 5.545 392 HA ARG 51 HA ARG 51 -3.792 -6.798 6.614 393 1HB ARG 51 HB2 ARG 51 -5.199 -7.100 3.946 394 2HB ARG 51 HB1 ARG 51 -3.798 -8.069 4.394 395 1HG ARG 51 HG2 ARG 51 -4.974 -8.983 6.313 396 2HG ARG 51 HG1 ARG 51 -6.344 -7.908 6.031 397 1HD ARG 51 HD2 ARG 51 -7.039 -9.068 4.128 398 2HD ARG 51 HD1 ARG 51 -5.438 -9.736 3.827 399 HE ARG 51 HE ARG 51 -6.217 -10.867 6.245 400 1HH1 ARG 51 HH21 ARG 51 -7.502 -10.714 2.997 401 2HH1 ARG 51 HH22 ARG 51 -8.354 -12.210 3.156 402 1HH2 ARG 51 HH11 ARG 51 -7.330 -12.806 6.404 403 2HH2 ARG 51 HH12 ARG 51 -8.259 -13.386 5.061 404 H ALA 52 HN ALA 52 -4.174 -5.170 3.443 405 HA ALA 52 HA ALA 52 -1.408 -5.072 2.846 406 1HB ALA 52 HB2 ALA 52 -3.829 -4.069 1.719 407 2HB ALA 52 HB1 ALA 52 -2.663 -2.748 1.775 408 3HB ALA 52 HB3 ALA 52 -2.255 -4.249 0.943 409 H ALA 53 HN ALA 53 -3.229 -3.189 5.140 410 HA ALA 53 HA ALA 53 -1.430 -0.908 5.131 411 1HB ALA 53 HB3 ALA 53 -3.822 -1.725 6.559 412 2HB ALA 53 HB2 ALA 53 -2.618 -1.083 7.675 413 3HB ALA 53 HB1 ALA 53 -3.175 -0.102 6.320 414 H THR 54 HN THR 54 -1.680 -3.911 7.007 415 HA THR 54 HA THR 54 0.453 -3.248 8.836 416 HB THR 54 HB THR 54 -0.775 -5.887 7.994 417 HG1 THR 54 HG1 THR 54 -1.636 -3.986 9.482 418 1HG2 THR 54 HG23 THR 54 1.589 -5.273 9.682 419 2HG2 THR 54 HG22 THR 54 0.424 -6.394 10.383 420 3HG2 THR 54 HG21 THR 54 1.169 -6.758 8.828 421 H VAL 55 HN VAL 55 0.319 -5.030 5.754 422 HA VAL 55 HA VAL 55 3.105 -5.764 5.764 423 HB VAL 55 HB VAL 55 1.236 -5.366 3.402 424 1HG1 VAL 55 HG11 VAL 55 4.023 -6.332 3.728 425 2HG1 VAL 55 HG13 VAL 55 2.987 -7.337 2.713 426 3HG1 VAL 55 HG12 VAL 55 3.232 -5.637 2.314 427 1HG2 VAL 55 HG23 VAL 55 1.329 -7.341 5.523 428 2HG2 VAL 55 HG22 VAL 55 0.171 -7.192 4.201 429 3HG2 VAL 55 HG21 VAL 55 1.665 -8.100 3.966 430 H LEU 56 HN LEU 56 1.343 -2.885 4.798 431 HA LEU 56 HA LEU 56 3.564 -1.673 3.356 432 1HB LEU 56 HB2 LEU 56 0.807 -0.999 4.001 433 2HB LEU 56 HB1 LEU 56 1.877 0.383 4.247 434 HG LEU 56 HG LEU 56 2.822 0.008 1.971 435 1HD1 LEU 56 HD13 LEU 56 1.113 -2.370 2.215 436 2HD1 LEU 56 HD12 LEU 56 0.908 -1.510 0.690 437 3HD1 LEU 56 HD11 LEU 56 2.504 -2.088 1.167 438 1HD2 LEU 56 HD23 LEU 56 -0.128 0.497 2.369 439 2HD2 LEU 56 HD22 LEU 56 1.146 1.669 2.033 440 3HD2 LEU 56 HD21 LEU 56 0.590 0.583 0.761 441 NH1 ARG 57 NH2 ARG 57 2.170 -0.631 14.063 442 NH2 ARG 57 NH1 ARG 57 4.222 -1.437 14.544 443 H ARG 57 HN ARG 57 2.486 -1.794 6.695 444 HA ARG 57 HA ARG 57 4.046 0.457 7.612 445 1HB ARG 57 HB2 ARG 57 2.102 -0.775 8.813 446 2HB ARG 57 HB1 ARG 57 3.338 -1.930 9.315 447 1HG ARG 57 HG2 ARG 57 4.655 -0.080 10.302 448 2HG ARG 57 HG1 ARG 57 3.391 1.059 9.826 449 1HD ARG 57 HD2 ARG 57 2.333 0.601 11.761 450 2HD ARG 57 HD1 ARG 57 2.063 -1.034 11.165 451 HE ARG 57 HE ARG 57 4.665 -1.064 12.163 452 1HH1 ARG 57 HH21 ARG 57 1.507 -0.262 13.415 453 2HH1 ARG 57 HH22 ARG 57 1.911 -0.751 15.022 454 1HH2 ARG 57 HH11 ARG 57 5.146 -1.690 14.258 455 2HH2 ARG 57 HH12 ARG 57 3.945 -1.551 15.498 456 H GLN 58 HN GLN 58 4.620 -3.036 7.351 457 HA GLN 58 HA GLN 58 7.235 -2.970 8.578 458 1HB GLN 58 HB2 GLN 58 6.067 -4.953 6.598 459 2HB GLN 58 HB1 GLN 58 7.499 -5.218 7.594 460 1HG GLN 58 HG2 GLN 58 5.508 -4.384 9.392 461 2HG GLN 58 HG1 GLN 58 4.701 -5.515 8.305 462 1HE2 GLN 58 HE22 GLN 58 7.962 -6.937 10.388 463 2HE2 GLN 58 HE21 GLN 58 7.960 -5.322 9.864 464 H PHE 59 HN PHE 59 6.015 -2.489 5.318 465 HA PHE 59 HA PHE 59 8.510 -2.630 3.924 466 1HB PHE 59 HB2 PHE 59 6.321 -2.635 2.781 467 2HB PHE 59 HB1 PHE 59 6.036 -0.978 3.311 468 HD1 PHE 59 HD1 PHE 59 8.121 -3.144 1.154 469 HD2 PHE 59 HD2 PHE 59 7.136 0.892 2.248 470 HE1 PHE 59 HE1 PHE 59 9.373 -2.306 -0.814 471 HE2 PHE 59 HE2 PHE 59 8.388 1.731 0.281 472 HZ PHE 59 HZ PHE 59 9.507 0.133 -1.250 473 OH TYR 60 OH TYR 60 6.579 5.371 10.496 474 H TYR 60 HN TYR 60 6.781 0.098 5.437 475 HA TYR 60 HA TYR 60 9.069 1.875 4.873 476 1HB TYR 60 HB2 TYR 60 7.423 3.406 4.754 477 2HB TYR 60 HB1 TYR 60 6.251 2.198 5.264 478 HD1 TYR 60 HD1 TYR 60 8.452 4.936 6.374 479 HD2 TYR 60 HD2 TYR 60 5.561 2.007 7.598 480 HE1 TYR 60 HE1 TYR 60 8.184 6.111 8.537 481 HE2 TYR 60 HE2 TYR 60 5.296 3.178 9.765 482 HH TYR 60 HH TYR 60 7.456 5.509 10.862 483 H SER 61 HN SER 61 8.434 -0.364 7.233 484 HA SER 61 HA SER 61 9.344 1.260 9.502 485 1HB SER 61 HB2 SER 61 7.718 -0.521 9.895 486 2HB SER 61 HB1 SER 61 8.829 -1.712 9.222 487 HG SER 61 HG SER 61 9.183 -1.805 11.366 488 H HIS 62 HN HIS 62 10.590 -1.795 8.090 489 HA HIS 62 HA HIS 62 13.282 -1.062 9.062 490 1HB HIS 62 HB2 HIS 62 11.891 -3.548 8.325 491 2HB HIS 62 HB1 HIS 62 13.577 -3.481 7.808 492 HD1 HIS 62 HD1 HIS 62 15.265 -4.058 9.557 493 HD2 HIS 62 HD2 HIS 62 11.647 -2.858 11.253 494 HE1 HIS 62 HE1 HIS 62 15.515 -4.351 12.062 495 H HIS 63 HN HIS 63 11.703 -1.775 5.932 496 HA HIS 63 HA HIS 63 14.186 -1.481 4.456 497 1HB HIS 63 HB2 HIS 63 11.313 -1.546 3.516 498 2HB HIS 63 HB1 HIS 63 12.714 -1.568 2.448 499 HD1 HIS 63 HD1 HIS 63 14.469 -3.613 2.961 500 HD2 HIS 63 HD2 HIS 63 10.585 -4.068 4.408 501 HE1 HIS 63 HE1 HIS 63 14.185 -6.071 3.493 502 H GLU 64 HN GLU 64 12.463 0.927 5.953 503 HA GLU 64 HA GLU 64 12.608 2.844 3.723 504 1HB GLU 64 HB2 GLU 64 11.220 4.114 4.966 505 2HB GLU 64 HB1 GLU 64 11.086 2.716 6.027 506 1HG GLU 64 HG2 GLU 64 13.123 3.577 7.265 507 2HG GLU 64 HG1 GLU 64 12.985 5.056 6.309 508 H LYS 65 HN LYS 65 14.799 1.596 6.015 509 HA LYS 65 HA LYS 65 16.643 3.863 5.452 510 1HB LYS 65 HB2 LYS 65 15.515 3.962 7.779 511 2HB LYS 65 HB1 LYS 65 16.515 2.561 8.172 512 1HG LYS 65 HG2 LYS 65 18.257 4.381 6.928 513 2HG LYS 65 HG1 LYS 65 17.269 5.356 8.019 514 1HD LYS 65 HD2 LYS 65 17.787 3.839 9.876 515 2HD LYS 65 HD1 LYS 65 18.736 2.819 8.793 516 1HE LYS 65 HE2 LYS 65 20.534 4.122 9.133 517 2HE LYS 65 HE1 LYS 65 19.649 5.512 8.501 518 1HZ LYS 65 HZ3 LYS 65 18.683 5.835 10.701 519 2HZ LYS 65 HZ2 LYS 65 19.586 4.526 11.300 520 3HZ LYS 65 HZ1 LYS 65 20.376 5.925 10.751 521 H ASP 66 HN ASP 66 16.902 1.646 3.962 522 HA ASP 66 HA ASP 66 19.269 0.297 5.183 523 1HB ASP 66 HB2 ASP 66 16.803 -0.956 4.078 524 2HB ASP 66 HB1 ASP 66 18.337 -1.712 3.644 525 H THR 67 HN THR 67 20.611 -0.787 3.435 526 HA THR 67 HA THR 67 21.026 1.103 1.235 527 HB THR 67 HB THR 67 22.462 -1.526 1.503 528 HG1 THR 67 HG1 THR 67 23.701 -0.674 3.106 529 1HG2 THR 67 HG22 THR 67 23.110 1.259 0.533 530 2HG2 THR 67 HG21 THR 67 24.368 0.065 0.850 531 3HG2 THR 67 HG23 THR 67 23.142 -0.251 -0.379 532 NH1 ARG 68 NH2 ARG 68 17.708 -7.507 1.407 533 NH2 ARG 68 NH1 ARG 68 19.235 -8.687 0.234 534 H ARG 68 HN ARG 68 19.231 -1.801 1.676 535 HA ARG 68 HA ARG 68 19.436 -3.118 -0.777 536 1HB ARG 68 HB2 ARG 68 17.573 -3.027 1.410 537 2HB ARG 68 HB1 ARG 68 16.677 -3.051 -0.109 538 1HG ARG 68 HG2 ARG 68 17.068 -5.341 0.520 539 2HG ARG 68 HG1 ARG 68 18.134 -4.983 -0.835 540 1HD ARG 68 HD2 ARG 68 19.941 -4.447 0.845 541 2HD ARG 68 HD1 ARG 68 18.881 -5.072 2.104 542 HE ARG 68 HE ARG 68 20.509 -6.604 0.269 543 1HH1 ARG 68 HH21 ARG 68 17.420 -6.666 1.860 544 2HH1 ARG 68 HH22 ARG 68 17.128 -8.321 1.457 545 1HH2 ARG 68 HH11 ARG 68 20.124 -8.745 -0.224 546 2HH2 ARG 68 HH12 ARG 68 18.650 -9.494 0.295 547 H CYS 69 HN CYS 69 16.872 -0.697 -0.059 548 HA CYS 69 HA CYS 69 16.563 -0.298 -2.974 549 1HB CYS 69 HB2 CYS 69 14.538 -0.503 -1.548 550 2HB CYS 69 HB1 CYS 69 15.010 0.970 -0.699 551 H LEU 70 HN LEU 70 18.019 1.345 -0.271 552 HA LEU 70 HA LEU 70 17.935 4.018 -1.143 553 1HB LEU 70 HB2 LEU 70 18.881 3.774 0.961 554 2HB LEU 70 HB1 LEU 70 19.891 2.425 0.462 555 HG LEU 70 HG LEU 70 21.376 3.899 -0.752 556 1HD1 LEU 70 HD13 LEU 70 19.072 5.654 -0.654 557 2HD1 LEU 70 HD12 LEU 70 20.497 6.490 -0.038 558 3HD1 LEU 70 HD11 LEU 70 20.519 5.787 -1.655 559 1HD2 LEU 70 HD23 LEU 70 20.659 5.026 1.968 560 2HD2 LEU 70 HD22 LEU 70 21.791 3.711 1.652 561 3HD2 LEU 70 HD21 LEU 70 22.164 5.347 1.109 562 H GLY 71 HN GLY 71 20.778 1.873 -1.729 563 1HA GLY 71 HA2 GLY 71 21.490 1.602 -4.127 564 2HA GLY 71 HA1 GLY 71 21.065 3.300 -4.347 565 H ALA 72 HN ALA 72 23.029 4.262 -4.761 566 HA ALA 72 HA ALA 72 24.958 4.357 -2.550 567 1HB ALA 72 HB3 ALA 72 25.336 2.441 -4.558 568 2HB ALA 72 HB2 ALA 72 26.426 3.761 -4.984 569 3HB ALA 72 HB1 ALA 72 26.541 3.000 -3.398 570 H THR 73 HN THR 73 23.223 6.186 -4.239 571 HA THR 73 HA THR 73 25.395 8.119 -4.876 572 HB THR 73 HB THR 73 24.952 7.679 -7.079 573 HG1 THR 73 HG1 THR 73 22.521 9.025 -6.706 574 1HG2 THR 73 HG21 THR 73 22.183 6.810 -6.211 575 2HG2 THR 73 HG23 THR 73 22.783 6.739 -7.868 576 3HG2 THR 73 HG22 THR 73 23.533 5.749 -6.616 577 H ALA 74 HN ALA 74 24.556 10.379 -4.950 578 HA ALA 74 HA ALA 74 22.771 10.872 -2.728 579 1HB ALA 74 HB3 ALA 74 24.712 12.328 -4.107 580 2HB ALA 74 HB2 ALA 74 23.203 13.157 -4.490 581 3HB ALA 74 HB1 ALA 74 23.685 12.938 -2.807 582 H GLN 75 HN GLN 75 22.454 10.984 -6.250 583 HA GLN 75 HA GLN 75 19.950 12.299 -6.427 584 1HB GLN 75 HB2 GLN 75 21.345 10.250 -8.140 585 2HB GLN 75 HB1 GLN 75 19.705 10.765 -8.536 586 1HG GLN 75 HG2 GLN 75 21.355 13.065 -7.919 587 2HG GLN 75 HG1 GLN 75 22.105 12.098 -9.190 588 1HE2 GLN 75 HE22 GLN 75 19.960 13.713 -11.486 589 2HE2 GLN 75 HE21 GLN 75 21.558 13.379 -11.025 590 H GLN 76 HN GLN 76 20.568 8.759 -6.298 591 HA GLN 76 HA GLN 76 17.788 8.065 -6.070 592 1HB GLN 76 HB2 GLN 76 20.000 6.623 -6.566 593 2HB GLN 76 HB1 GLN 76 19.843 6.289 -4.841 594 1HG GLN 76 HG2 GLN 76 18.556 4.587 -5.842 595 2HG GLN 76 HG1 GLN 76 17.352 5.790 -5.380 596 1HE2 GLN 76 HE22 GLN 76 16.202 5.730 -8.718 597 2HE2 GLN 76 HE21 GLN 76 15.828 5.507 -7.078 598 H PHE 77 HN PHE 77 20.142 9.153 -3.728 599 HA PHE 77 HA PHE 77 19.031 8.091 -1.345 600 1HB PHE 77 HB2 PHE 77 21.121 9.745 -1.900 601 2HB PHE 77 HB1 PHE 77 19.974 10.900 -1.229 602 HD1 PHE 77 HD2 PHE 77 18.520 9.087 0.684 603 HD2 PHE 77 HD1 PHE 77 22.708 9.556 -0.141 604 HE1 PHE 77 HE2 PHE 77 19.060 8.305 2.976 605 HE2 PHE 77 HE1 PHE 77 23.249 8.775 2.149 606 HZ PHE 77 HZ PHE 77 21.425 8.151 3.708 607 H HIS 78 HN HIS 78 18.340 11.239 -2.901 608 HA HIS 78 HA HIS 78 16.158 11.832 -1.088 609 1HB HIS 78 HB2 HIS 78 17.414 13.609 -2.237 610 2HB HIS 78 HB1 HIS 78 16.858 13.004 -3.796 611 HD1 HIS 78 HD1 HIS 78 15.717 14.885 -0.765 612 HD2 HIS 78 HD2 HIS 78 14.109 13.549 -4.373 613 HE1 HIS 78 HE1 HIS 78 13.479 16.045 -1.025 614 NH1 ARG 79 NH2 ARG 79 16.334 11.810 -9.504 615 NH2 ARG 79 NH1 ARG 79 15.175 13.438 -8.457 616 H ARG 79 HN ARG 79 16.416 10.377 -4.291 617 HA ARG 79 HA ARG 79 13.717 10.408 -5.090 618 1HB ARG 79 HB2 ARG 79 16.033 9.315 -6.060 619 2HB ARG 79 HB1 ARG 79 15.142 7.870 -5.587 620 1HG ARG 79 HG2 ARG 79 13.935 8.058 -7.475 621 2HG ARG 79 HG1 ARG 79 13.275 9.571 -6.858 622 1HD ARG 79 HD2 ARG 79 16.000 9.619 -8.086 623 2HD ARG 79 HD1 ARG 79 14.606 9.506 -9.156 624 HE ARG 79 HE ARG 79 14.007 11.577 -7.369 625 1HH1 ARG 79 HH21 ARG 79 16.528 10.846 -9.670 626 2HH1 ARG 79 HH22 ARG 79 16.849 12.510 -9.998 627 1HH2 ARG 79 HH11 ARG 79 14.467 13.724 -7.812 628 2HH2 ARG 79 HH12 ARG 79 15.708 14.123 -8.953 629 H HIS 80 HN HIS 80 15.344 8.299 -2.773 630 HA HIS 80 HA HIS 80 12.898 6.684 -2.404 631 1HB HIS 80 HB2 HIS 80 14.970 5.465 -2.353 632 2HB HIS 80 HB1 HIS 80 15.678 6.594 -1.203 633 HD1 HIS 80 HD1 HIS 80 12.591 4.322 -1.295 634 HD2 HIS 80 HD2 HIS 80 15.565 5.587 1.347 635 HE1 HIS 80 HE1 HIS 80 12.203 3.073 0.880 636 H LYS 81 HN LYS 81 14.679 9.271 -0.828 637 HA LYS 81 HA LYS 81 13.581 9.194 1.770 638 1HB LYS 81 HB2 LYS 81 15.277 10.865 0.459 639 2HB LYS 81 HB1 LYS 81 13.836 11.878 0.536 640 1HG LYS 81 HG2 LYS 81 13.719 11.592 2.959 641 2HG LYS 81 HG1 LYS 81 15.089 10.483 2.920 642 1HD LYS 81 HD2 LYS 81 15.999 12.750 1.554 643 2HD LYS 81 HD1 LYS 81 15.082 13.397 2.914 644 1HE LYS 81 HE2 LYS 81 16.388 12.074 4.488 645 2HE LYS 81 HE1 LYS 81 17.235 11.277 3.162 646 1HZ LYS 81 HZ2 LYS 81 17.276 14.215 3.551 647 2HZ LYS 81 HZ1 LYS 81 18.435 13.184 4.244 648 3HZ LYS 81 HZ3 LYS 81 18.287 13.279 2.556 649 H GLN 82 HN GLN 82 12.102 10.205 -1.250 650 HA GLN 82 HA GLN 82 9.821 11.481 0.102 651 1HB GLN 82 HB2 GLN 82 10.677 11.025 -2.728 652 2HB GLN 82 HB1 GLN 82 8.960 11.282 -2.418 653 1HG GLN 82 HG2 GLN 82 9.323 13.425 -1.495 654 2HG GLN 82 HG1 GLN 82 11.049 13.125 -1.263 655 1HE2 GLN 82 HE22 GLN 82 10.084 15.020 -4.545 656 2HE2 GLN 82 HE21 GLN 82 9.284 15.091 -3.049 657 H LEU 83 HN LEU 83 10.479 8.483 -1.695 658 HA LEU 83 HA LEU 83 7.906 7.377 -1.838 659 1HB LEU 83 HB2 LEU 83 10.288 6.442 -2.541 660 2HB LEU 83 HB1 LEU 83 10.192 5.629 -0.979 661 HG LEU 83 HG LEU 83 7.755 5.458 -2.664 662 1HD1 LEU 83 HD13 LEU 83 9.864 5.193 -4.184 663 2HD1 LEU 83 HD12 LEU 83 10.082 3.662 -3.335 664 3HD1 LEU 83 HD11 LEU 83 8.610 3.956 -4.261 665 1HD2 LEU 83 HD22 LEU 83 8.481 4.303 -0.372 666 2HD2 LEU 83 HD21 LEU 83 7.490 3.442 -1.551 667 3HD2 LEU 83 HD23 LEU 83 9.226 3.141 -1.469 668 H ILE 84 HN ILE 84 10.071 7.626 0.930 669 HA ILE 84 HA ILE 84 8.615 5.865 2.664 670 HB ILE 84 HB ILE 84 10.276 8.257 3.512 671 1HG1 ILE 84 HG12 ILE 84 11.620 6.973 1.972 672 2HG1 ILE 84 HG11 ILE 84 12.127 6.518 3.598 673 1HG2 ILE 84 HG23 ILE 84 9.127 5.837 4.798 674 2HG2 ILE 84 HG22 ILE 84 10.757 6.292 5.291 675 3HG2 ILE 84 HG21 ILE 84 9.425 7.433 5.485 676 1HD1 ILE 84 HD13 ILE 84 10.141 4.729 3.238 677 2HD1 ILE 84 HD12 ILE 84 10.655 4.931 1.563 678 3HD1 ILE 84 HD11 ILE 84 11.812 4.402 2.783 679 NH1 ARG 85 NH2 ARG 85 11.224 12.874 4.462 680 NH2 ARG 85 NH1 ARG 85 11.231 11.224 6.001 681 H ARG 85 HN ARG 85 8.519 9.442 2.374 682 HA ARG 85 HA ARG 85 6.542 9.859 4.354 683 1HB ARG 85 HB2 ARG 85 7.798 11.417 2.292 684 2HB ARG 85 HB1 ARG 85 6.064 11.735 2.281 685 1HG ARG 85 HG2 ARG 85 6.354 13.078 4.065 686 2HG ARG 85 HG1 ARG 85 6.823 11.664 5.007 687 1HD ARG 85 HD2 ARG 85 8.925 12.762 3.233 688 2HD ARG 85 HD1 ARG 85 8.458 13.792 4.586 689 HE ARG 85 HE ARG 85 8.797 11.261 5.699 690 1HH1 ARG 85 HH21 ARG 85 10.738 13.486 3.842 691 2HH1 ARG 85 HH22 ARG 85 12.220 12.923 4.526 692 1HH2 ARG 85 HH11 ARG 85 10.741 10.562 6.568 693 2HH2 ARG 85 HH12 ARG 85 12.228 11.287 6.054 694 H PHE 86 HN PHE 86 6.180 8.969 0.946 695 HA PHE 86 HA PHE 86 3.327 9.306 0.889 696 1HB PHE 86 HB2 PHE 86 5.394 8.291 -0.878 697 2HB PHE 86 HB1 PHE 86 3.974 7.248 -0.914 698 HD1 PHE 86 HD2 PHE 86 1.743 9.063 -0.492 699 HD2 PHE 86 HD1 PHE 86 5.328 9.640 -2.783 700 HE1 PHE 86 HE2 PHE 86 0.564 10.711 -1.916 701 HE2 PHE 86 HE1 PHE 86 4.149 11.287 -4.211 702 HZ PHE 86 HZ PHE 86 1.767 11.827 -3.776 703 H LEU 87 HN LEU 87 5.429 6.673 1.902 704 HA LEU 87 HA LEU 87 3.419 4.634 1.981 705 1HB LEU 87 HB2 LEU 87 6.093 4.629 2.347 706 2HB LEU 87 HB1 LEU 87 5.569 4.570 4.031 707 HG LEU 87 HG LEU 87 5.755 2.293 3.276 708 1HD1 LEU 87 HD11 LEU 87 3.639 3.129 4.541 709 2HD1 LEU 87 HD13 LEU 87 2.810 2.876 3.006 710 3HD1 LEU 87 HD12 LEU 87 3.594 1.522 3.819 711 1HD2 LEU 87 HD21 LEU 87 5.371 3.224 0.784 712 2HD2 LEU 87 HD23 LEU 87 5.092 1.534 1.199 713 3HD2 LEU 87 HD22 LEU 87 3.733 2.653 1.106 714 H LYS 88 HN LYS 88 4.575 6.887 4.506 715 HA LYS 88 HA LYS 88 2.885 5.874 6.584 716 1HB LYS 88 HB2 LYS 88 3.984 8.671 6.189 717 2HB LYS 88 HB1 LYS 88 3.295 8.049 7.689 718 1HG LYS 88 HG2 LYS 88 5.013 6.259 7.717 719 2HG LYS 88 HG1 LYS 88 5.731 6.946 6.259 720 1HD LYS 88 HD2 LYS 88 5.295 8.862 8.475 721 2HD LYS 88 HD1 LYS 88 6.511 7.620 8.779 722 1HE LYS 88 HE2 LYS 88 7.866 8.322 7.014 723 2HE LYS 88 HE1 LYS 88 6.526 9.091 6.164 724 1HZ LYS 88 HZ3 LYS 88 7.079 10.177 8.781 725 2HZ LYS 88 HZ2 LYS 88 8.327 10.402 7.650 726 3HZ LYS 88 HZ1 LYS 88 6.763 10.975 7.319 727 NH1 ARG 89 NH2 ARG 89 -0.039 13.015 -0.492 728 NH2 ARG 89 NH1 ARG 89 -1.686 14.283 0.391 729 H ARG 89 HN ARG 89 2.361 8.486 4.212 730 HA ARG 89 HA ARG 89 -0.132 9.404 5.202 731 1HB ARG 89 HB2 ARG 89 0.933 10.679 3.491 732 2HB ARG 89 HB1 ARG 89 1.061 9.284 2.426 733 1HG ARG 89 HG2 ARG 89 -1.472 9.266 2.289 734 2HG ARG 89 HG1 ARG 89 -1.461 10.794 3.174 735 1HD ARG 89 HD2 ARG 89 0.449 11.090 1.129 736 2HD ARG 89 HD1 ARG 89 -0.943 10.313 0.368 737 HE ARG 89 HE ARG 89 -2.082 12.345 1.836 738 1HH1 ARG 89 HH21 ARG 89 0.485 12.168 -0.528 739 2HH1 ARG 89 HH22 ARG 89 0.185 13.764 -1.116 740 1HH2 ARG 89 HH11 ARG 89 -2.435 14.405 1.041 741 2HH2 ARG 89 HH12 ARG 89 -1.449 15.019 -0.242 742 H LEU 90 HN LEU 90 0.569 6.875 2.811 743 HA LEU 90 HA LEU 90 -2.196 6.099 2.500 744 1HB LEU 90 HB2 LEU 90 -0.153 5.711 0.930 745 2HB LEU 90 HB1 LEU 90 0.129 4.284 1.930 746 HG LEU 90 HG LEU 90 -2.475 3.928 1.519 747 1HD1 LEU 90 HD13 LEU 90 -2.725 6.028 0.232 748 2HD1 LEU 90 HD12 LEU 90 -1.547 5.439 -0.939 749 3HD1 LEU 90 HD11 LEU 90 -3.095 4.617 -0.760 750 1HD2 LEU 90 HD22 LEU 90 -0.086 3.223 -0.143 751 2HD2 LEU 90 HD21 LEU 90 -1.106 2.176 0.846 752 3HD2 LEU 90 HD23 LEU 90 -1.686 2.753 -0.714 753 H ASP 91 HN ASP 91 0.167 5.387 4.922 754 HA ASP 91 HA ASP 91 -0.728 2.758 5.644 755 1HB ASP 91 HB2 ASP 91 1.262 4.544 6.505 756 2HB ASP 91 HB1 ASP 91 0.246 4.259 7.916 757 NH1 ARG 92 NH2 ARG 92 -6.101 4.604 12.799 758 NH2 ARG 92 NH1 ARG 92 -5.404 6.057 14.381 759 H ARG 92 HN ARG 92 -1.471 5.935 7.149 760 HA ARG 92 HA ARG 92 -3.605 4.655 8.735 761 1HB ARG 92 HB2 ARG 92 -2.203 6.288 9.859 762 2HB ARG 92 HB1 ARG 92 -2.560 7.498 8.630 763 1HG ARG 92 HG2 ARG 92 -3.916 7.916 10.619 764 2HG ARG 92 HG1 ARG 92 -4.960 7.427 9.288 765 1HD ARG 92 HD2 ARG 92 -5.716 5.689 10.495 766 2HD ARG 92 HD1 ARG 92 -4.069 5.079 10.689 767 HE ARG 92 HE ARG 92 -4.223 7.137 12.527 768 1HH1 ARG 92 HH21 ARG 92 -6.122 4.289 11.852 769 2HH1 ARG 92 HH22 ARG 92 -6.613 4.104 13.498 770 1HH2 ARG 92 HH11 ARG 92 -4.881 6.868 14.649 771 2HH2 ARG 92 HH12 ARG 92 -5.919 5.544 15.066 772 H ASN 93 HN ASN 93 -3.353 6.526 5.798 773 HA ASN 93 HA ASN 93 -6.139 7.431 5.927 774 1HB ASN 93 HB2 ASN 93 -4.187 7.490 3.610 775 2HB ASN 93 HB1 ASN 93 -5.711 8.367 3.702 776 1HD2 ASN 93 HD22 ASN 93 -4.119 10.234 6.655 777 2HD2 ASN 93 HD21 ASN 93 -5.317 9.038 6.632 778 H LEU 94 HN LEU 94 -4.382 4.793 4.349 779 HA LEU 94 HA LEU 94 -6.591 4.017 2.648 780 1HB LEU 94 HB2 LEU 94 -4.093 3.374 2.455 781 2HB LEU 94 HB1 LEU 94 -4.466 2.126 3.643 782 HG LEU 94 HG LEU 94 -6.461 1.568 2.044 783 1HD1 LEU 94 HD11 LEU 94 -5.328 3.713 0.658 784 2HD1 LEU 94 HD13 LEU 94 -4.784 2.289 -0.230 785 3HD1 LEU 94 HD12 LEU 94 -6.508 2.568 0.019 786 1HD2 LEU 94 HD22 LEU 94 -3.566 0.881 1.862 787 2HD2 LEU 94 HD21 LEU 94 -4.950 -0.164 2.185 788 3HD2 LEU 94 HD23 LEU 94 -4.594 0.347 0.534 789 CH2 TRP 95 CH2 TRP 95 -4.963 1.418 12.365 790 H TRP 95 HN TRP 95 -5.293 2.546 5.642 791 HA TRP 95 HA TRP 95 -7.738 0.927 5.920 792 1HB TRP 95 HB2 TRP 95 -5.982 -0.381 6.561 793 2HB TRP 95 HB1 TRP 95 -5.019 0.992 7.092 794 HD1 TRP 95 HD1 TRP 95 -8.062 -1.076 8.277 795 HE1 TRP 95 HE1 TRP 95 -8.077 -1.045 10.858 796 HE3 TRP 95 HE3 TRP 95 -4.144 2.023 9.113 797 HZ2 TRP 95 HZ2 TRP 95 -6.586 0.159 13.003 798 HZ3 TRP 95 HZ3 TRP 95 -3.436 2.606 11.421 799 HH2 TRP 95 HH2 TRP 95 -4.655 1.669 13.370 800 H GLY 96 HN GLY 96 -6.695 4.008 6.981 801 1HA GLY 96 HA2 GLY 96 -7.776 4.199 9.584 802 2HA GLY 96 HA1 GLY 96 -7.721 5.542 8.443 803 H LEU 97 HN LEU 97 -9.391 4.107 6.459 804 HA LEU 97 HA LEU 97 -11.984 4.950 7.433 805 1HB LEU 97 HB2 LEU 97 -10.824 4.115 4.937 806 2HB LEU 97 HB1 LEU 97 -12.285 3.170 5.228 807 HG LEU 97 HG LEU 97 -13.467 5.355 5.745 808 1HD1 LEU 97 HD11 LEU 97 -10.872 6.434 4.608 809 2HD1 LEU 97 HD13 LEU 97 -12.345 7.387 4.788 810 3HD1 LEU 97 HD12 LEU 97 -11.534 6.741 6.214 811 1HD2 LEU 97 HD23 LEU 97 -12.609 4.256 3.195 812 2HD2 LEU 97 HD22 LEU 97 -14.171 4.945 3.639 813 3HD2 LEU 97 HD21 LEU 97 -12.874 5.996 3.070 814 H ALA 98 HN ALA 98 -10.358 1.847 6.997 815 HA ALA 98 HA ALA 98 -12.450 0.058 7.505 816 1HB ALA 98 HB2 ALA 98 -9.581 0.001 7.500 817 2HB ALA 98 HB1 ALA 98 -10.162 -0.877 8.915 818 3HB ALA 98 HB3 ALA 98 -10.701 -1.348 7.301 819 H GLY 99 HN GLY 99 -10.145 1.252 9.950 820 1HA GLY 99 HA2 GLY 99 -10.560 1.871 12.199 821 2HA GLY 99 HA1 GLY 99 -12.287 1.680 11.887 822 H LEU 100 HN LEU 100 -9.323 -0.286 12.276 823 HA LEU 100 HA LEU 100 -10.910 -2.215 13.891 824 1HB LEU 100 HB2 LEU 100 -9.882 -2.702 11.209 825 2HB LEU 100 HB1 LEU 100 -9.153 -3.804 12.372 826 HG LEU 100 HG LEU 100 -11.928 -3.631 12.996 827 1HD1 LEU 100 HD13 LEU 100 -11.310 -4.070 10.062 828 2HD1 LEU 100 HD12 LEU 100 -12.827 -4.548 10.826 829 3HD1 LEU 100 HD11 LEU 100 -12.374 -2.845 10.753 830 1HD2 LEU 100 HD22 LEU 100 -10.409 -5.554 13.388 831 2HD2 LEU 100 HD21 LEU 100 -11.846 -6.039 12.488 832 3HD2 LEU 100 HD23 LEU 100 -10.313 -5.819 11.645 833 H ASN 101 HN ASN 101 -9.624 -3.298 15.464 834 HA ASN 101 HA ASN 101 -6.964 -2.047 15.887 835 1HB ASN 101 HB2 ASN 101 -9.065 -2.896 17.610 836 2HB ASN 101 HB1 ASN 101 -7.664 -3.908 17.957 837 1HD2 ASN 101 HD22 ASN 101 -6.102 -1.330 19.765 838 2HD2 ASN 101 HD21 ASN 101 -6.325 -2.995 19.518 839 H SER 102 HN SER 102 -8.419 -5.318 15.807 840 HA SER 102 HA SER 102 -5.727 -6.518 15.680 841 1HB SER 102 HB2 SER 102 -8.525 -7.642 15.825 842 2HB SER 102 HB1 SER 102 -7.128 -8.672 15.517 843 HG SER 102 HG SER 102 -6.751 -6.909 17.571 844 H CYS 103 HN CYS 103 -4.892 -7.590 13.864 845 HA CYS 103 HA CYS 103 -6.500 -7.682 11.381 846 1HB CYS 103 HB2 CYS 103 -4.175 -5.870 11.862 847 2HB CYS 103 HB1 CYS 103 -4.293 -6.649 10.286 848 HA PRO 104 HA PRO 104 -3.794 -11.342 11.929 849 1HB PRO 104 HB2 PRO 104 -5.553 -12.930 10.402 850 2HB PRO 104 HB1 PRO 104 -5.476 -12.850 12.168 851 1HG PRO 104 HG2 PRO 104 -7.531 -11.780 10.387 852 2HG PRO 104 HG1 PRO 104 -7.556 -11.912 12.152 853 1HD PRO 104 HD2 PRO 104 -7.179 -9.535 10.588 854 2HD PRO 104 HD1 PRO 104 -7.121 -9.686 12.356 855 H VAL 105 HN VAL 105 -2.285 -10.218 10.374 856 HA VAL 105 HA VAL 105 -2.826 -10.952 7.532 857 HB VAL 105 HB VAL 105 -0.474 -9.275 8.337 858 1HG1 VAL 105 HG11 VAL 105 -2.390 -9.360 5.988 859 2HG1 VAL 105 HG13 VAL 105 -1.070 -8.201 6.151 860 3HG1 VAL 105 HG12 VAL 105 -0.719 -9.923 6.002 861 1HG2 VAL 105 HG22 VAL 105 -3.372 -8.572 8.556 862 2HG2 VAL 105 HG21 VAL 105 -2.005 -7.985 9.502 863 3HG2 VAL 105 HG23 VAL 105 -2.287 -7.356 7.879 864 H LYS 106 HN LYS 106 -2.098 -12.984 7.164 865 HA LYS 106 HA LYS 106 0.710 -13.598 7.274 866 1HB LYS 106 HB2 LYS 106 -0.211 -13.775 9.750 867 2HB LYS 106 HB1 LYS 106 -0.860 -15.312 9.180 868 1HG LYS 106 HG2 LYS 106 1.329 -15.748 10.104 869 2HG LYS 106 HG1 LYS 106 1.453 -15.888 8.350 870 1HD LYS 106 HD2 LYS 106 2.719 -13.989 8.145 871 2HD LYS 106 HD1 LYS 106 1.931 -13.188 9.506 872 1HE LYS 106 HE2 LYS 106 3.667 -13.765 10.821 873 2HE LYS 106 HE1 LYS 106 3.277 -15.463 10.552 874 1HZ LYS 106 HZ3 LYS 106 4.767 -13.979 8.501 875 2HZ LYS 106 HZ2 LYS 106 5.588 -14.545 9.875 876 3HZ LYS 106 HZ1 LYS 106 4.785 -15.637 8.851 877 H GLU 107 HN GLU 107 -0.616 -13.854 5.078 878 HA GLU 107 HA GLU 107 -1.330 -16.747 4.853 879 1HB GLU 107 HB2 GLU 107 -2.729 -14.518 3.356 880 2HB GLU 107 HB1 GLU 107 -3.174 -16.224 3.388 881 1HG GLU 107 HG2 GLU 107 -3.750 -16.081 5.746 882 2HG GLU 107 HG1 GLU 107 -3.170 -14.416 5.824 883 H ALA 108 HN ALA 108 1.219 -15.507 4.227 884 HA ALA 108 HA ALA 108 1.464 -16.534 1.529 885 1HB ALA 108 HB1 ALA 108 1.179 -13.633 1.964 886 2HB ALA 108 HB3 ALA 108 2.546 -14.100 0.955 887 3HB ALA 108 HB2 ALA 108 0.910 -14.584 0.504 888 H ASP 109 HN ASP 109 3.619 -16.803 0.921 889 HA ASP 109 HA ASP 109 5.520 -16.778 3.173 890 1HB ASP 109 HB2 ASP 109 5.388 -18.821 1.858 891 2HB ASP 109 HB1 ASP 109 5.699 -17.925 0.372 892 H GLN 110 HN GLN 110 5.838 -15.889 -0.295 893 HA GLN 110 HA GLN 110 6.843 -13.254 0.347 894 1HB GLN 110 HB2 GLN 110 8.735 -15.174 0.762 895 2HB GLN 110 HB1 GLN 110 9.028 -14.773 -0.929 896 1HG GLN 110 HG2 GLN 110 10.177 -12.977 -0.198 897 2HG GLN 110 HG1 GLN 110 8.630 -12.301 0.320 898 1HE2 GLN 110 HE22 GLN 110 11.250 -13.714 3.098 899 2HE2 GLN 110 HE21 GLN 110 11.581 -13.862 1.438 900 H SER 111 HN SER 111 5.479 -12.547 -1.289 901 HA SER 111 HA SER 111 5.953 -13.587 -4.035 902 1HB SER 111 HB2 SER 111 3.764 -12.073 -2.678 903 2HB SER 111 HB1 SER 111 4.072 -11.655 -4.365 904 HG SER 111 HG SER 111 4.121 -14.175 -4.466 905 H THR 112 HN THR 112 6.185 -11.658 -5.722 906 HA THR 112 HA THR 112 8.340 -9.977 -4.635 907 HB THR 112 HB THR 112 8.517 -9.170 -7.024 908 HG1 THR 112 HG1 THR 112 6.726 -11.257 -7.618 909 1HG2 THR 112 HG22 THR 112 8.808 -11.963 -6.064 910 2HG2 THR 112 HG21 THR 112 8.924 -11.727 -7.808 911 3HG2 THR 112 HG23 THR 112 10.022 -10.868 -6.724 912 H LEU 113 HN LEU 113 8.294 -7.656 -4.658 913 HA LEU 113 HA LEU 113 5.698 -6.548 -3.993 914 1HB LEU 113 HB2 LEU 113 7.698 -5.723 -2.883 915 2HB LEU 113 HB1 LEU 113 8.407 -5.251 -4.427 916 HG LEU 113 HG LEU 113 6.672 -3.590 -4.767 917 1HD1 LEU 113 HD13 LEU 113 5.389 -5.090 -2.566 918 2HD1 LEU 113 HD12 LEU 113 5.238 -3.337 -2.447 919 3HD1 LEU 113 HD11 LEU 113 4.648 -4.177 -3.882 920 1HD2 LEU 113 HD23 LEU 113 8.663 -3.422 -2.906 921 2HD2 LEU 113 HD22 LEU 113 7.633 -2.069 -3.373 922 3HD2 LEU 113 HD21 LEU 113 7.253 -3.012 -1.930 923 H GLU 114 HN GLU 114 7.205 -7.147 -6.983 924 HA GLU 114 HA GLU 114 6.314 -4.805 -8.429 925 1HB GLU 114 HB2 GLU 114 6.905 -7.562 -9.539 926 2HB GLU 114 HB1 GLU 114 6.936 -6.035 -10.418 927 1HG GLU 114 HG2 GLU 114 8.913 -5.326 -9.365 928 2HG GLU 114 HG1 GLU 114 8.717 -6.449 -8.022 929 H ASN 115 HN ASN 115 5.182 -8.195 -8.602 930 HA ASN 115 HA ASN 115 2.755 -7.517 -9.986 931 1HB ASN 115 HB2 ASN 115 2.052 -9.838 -9.414 932 2HB ASN 115 HB1 ASN 115 3.686 -9.785 -10.077 933 1HD2 ASN 115 HD22 ASN 115 3.986 -11.903 -7.080 934 2HD2 ASN 115 HD21 ASN 115 3.318 -12.018 -8.636 935 H PHE 116 HN PHE 116 3.602 -7.332 -6.616 936 HA PHE 116 HA PHE 116 0.796 -7.467 -5.736 937 1HB PHE 116 HB2 PHE 116 2.448 -8.249 -4.158 938 2HB PHE 116 HB1 PHE 116 3.384 -6.762 -4.312 939 HD1 PHE 116 HD1 PHE 116 -0.115 -7.857 -3.476 940 HD2 PHE 116 HD2 PHE 116 3.096 -5.112 -2.690 941 HE1 PHE 116 HE1 PHE 116 -1.441 -6.823 -1.659 942 HE2 PHE 116 HE2 PHE 116 1.771 -4.083 -0.871 943 HZ PHE 116 HZ PHE 116 -0.499 -4.935 -0.355 944 H LEU 117 HN LEU 117 3.117 -5.016 -6.720 945 HA LEU 117 HA LEU 117 1.572 -2.796 -5.609 946 1HB LEU 117 HB2 LEU 117 4.130 -3.126 -6.835 947 2HB LEU 117 HB1 LEU 117 3.231 -1.945 -7.791 948 HG LEU 117 HG LEU 117 3.068 -1.680 -4.829 949 1HD1 LEU 117 HD13 LEU 117 5.478 -2.155 -5.271 950 2HD1 LEU 117 HD12 LEU 117 5.509 -0.803 -6.400 951 3HD1 LEU 117 HD11 LEU 117 5.203 -0.516 -4.687 952 1HD2 LEU 117 HD23 LEU 117 1.924 -0.165 -6.494 953 2HD2 LEU 117 HD22 LEU 117 2.996 0.675 -5.373 954 3HD2 LEU 117 HD21 LEU 117 3.523 0.359 -7.025 955 H GLU 118 HN GLU 118 1.937 -4.345 -8.779 956 HA GLU 118 HA GLU 118 0.095 -2.533 -10.110 957 1HB GLU 118 HB2 GLU 118 1.304 -3.489 -11.781 958 2HB GLU 118 HB1 GLU 118 1.699 -4.901 -10.806 959 1HG GLU 118 HG2 GLU 118 -0.294 -6.020 -11.398 960 2HG GLU 118 HG1 GLU 118 -1.073 -4.531 -11.944 961 NH1 ARG 119 NH2 ARG 119 -3.673 -10.782 -10.955 962 NH2 ARG 119 NH1 ARG 119 -5.818 -10.068 -10.972 963 H ARG 119 HN ARG 119 -0.130 -5.599 -8.424 964 HA ARG 119 HA ARG 119 -2.900 -6.122 -9.186 965 1HB ARG 119 HB2 ARG 119 -1.183 -7.856 -8.490 966 2HB ARG 119 HB1 ARG 119 -1.334 -7.249 -6.842 967 1HG ARG 119 HG2 ARG 119 -3.035 -8.691 -6.601 968 2HG ARG 119 HG1 ARG 119 -3.962 -7.640 -7.672 969 1HD ARG 119 HD2 ARG 119 -2.340 -9.168 -9.385 970 2HD ARG 119 HD1 ARG 119 -2.915 -10.307 -8.174 971 HE ARG 119 HE ARG 119 -5.177 -8.857 -8.935 972 1HH1 ARG 119 HH21 ARG 119 -2.763 -10.802 -10.543 973 2HH1 ARG 119 HH22 ARG 119 -3.851 -11.307 -11.787 974 1HH2 ARG 119 HH11 ARG 119 -6.560 -9.533 -10.567 975 2HH2 ARG 119 HH12 ARG 119 -5.981 -10.599 -11.804 976 H LEU 120 HN LEU 120 -1.290 -4.275 -6.666 977 HA LEU 120 HA LEU 120 -3.637 -4.137 -4.934 978 1HB LEU 120 HB2 LEU 120 -0.969 -3.401 -4.628 979 2HB LEU 120 HB1 LEU 120 -1.807 -1.857 -4.748 980 HG LEU 120 HG LEU 120 -2.652 -4.099 -2.892 981 1HD1 LEU 120 HD12 LEU 120 -0.383 -2.544 -2.637 982 2HD1 LEU 120 HD11 LEU 120 -1.582 -1.617 -1.733 983 3HD1 LEU 120 HD13 LEU 120 -1.251 -3.293 -1.298 984 1HD2 LEU 120 HD21 LEU 120 -4.022 -1.839 -3.832 985 2HD2 LEU 120 HD23 LEU 120 -4.448 -2.805 -2.421 986 3HD2 LEU 120 HD22 LEU 120 -3.440 -1.369 -2.239 987 H LYS 121 HN LYS 121 -2.107 -2.017 -7.342 988 HA LYS 121 HA LYS 121 -3.893 0.165 -7.270 989 1HB LYS 121 HB2 LYS 121 -1.746 -0.454 -8.782 990 2HB LYS 121 HB1 LYS 121 -3.020 -0.831 -9.941 991 1HG LYS 121 HG2 LYS 121 -3.663 1.647 -8.654 992 2HG LYS 121 HG1 LYS 121 -2.003 1.732 -9.246 993 1HD LYS 121 HD2 LYS 121 -3.193 2.375 -11.145 994 2HD LYS 121 HD1 LYS 121 -3.031 0.637 -11.411 995 1HE LYS 121 HE2 LYS 121 -5.253 0.207 -10.724 996 2HE LYS 121 HE1 LYS 121 -5.409 1.781 -9.945 997 1HZ LYS 121 HZ2 LYS 121 -4.765 1.942 -12.740 998 2HZ LYS 121 HZ1 LYS 121 -6.256 1.180 -12.441 999 3HZ LYS 121 HZ3 LYS 121 -5.972 2.747 -11.856 1000 H THR 122 HN THR 122 -4.051 -2.833 -9.116 1001 HA THR 122 HA THR 122 -6.491 -2.378 -10.477 1002 HB THR 122 HB THR 122 -6.364 -5.146 -9.766 1003 HG1 THR 122 HG1 THR 122 -4.090 -5.265 -10.700 1004 1HG2 THR 122 HG22 THR 122 -7.035 -4.114 -11.940 1005 2HG2 THR 122 HG21 THR 122 -5.342 -3.717 -12.227 1006 3HG2 THR 122 HG23 THR 122 -5.846 -5.404 -12.126 1007 H ILE 123 HN ILE 123 -5.895 -3.878 -7.327 1008 HA ILE 123 HA ILE 123 -8.565 -4.538 -6.642 1009 HB ILE 123 HB ILE 123 -6.167 -3.780 -4.968 1010 1HG1 ILE 123 HG12 ILE 123 -6.671 -6.018 -6.477 1011 2HG1 ILE 123 HG11 ILE 123 -5.620 -5.989 -5.062 1012 1HG2 ILE 123 HG23 ILE 123 -8.896 -4.772 -4.110 1013 2HG2 ILE 123 HG22 ILE 123 -7.464 -4.880 -3.087 1014 3HG2 ILE 123 HG21 ILE 123 -8.072 -3.303 -3.590 1015 1HD1 ILE 123 HD12 ILE 123 -8.597 -6.519 -4.887 1016 2HD1 ILE 123 HD11 ILE 123 -7.399 -7.804 -5.046 1017 3HD1 ILE 123 HD13 ILE 123 -7.387 -6.757 -3.627 1018 H MET 124 HN MET 124 -6.865 -1.459 -6.412 1019 HA MET 124 HA MET 124 -8.815 -0.203 -4.675 1020 1HB MET 124 HB2 MET 124 -6.883 1.180 -6.542 1021 2HB MET 124 HB1 MET 124 -7.631 1.848 -5.094 1022 1HG MET 124 HG2 MET 124 -6.042 -0.653 -4.762 1023 2HG MET 124 HG1 MET 124 -5.156 0.833 -5.080 1024 1HE MET 124 HE1 MET 124 -5.685 2.867 -4.232 1025 2HE MET 124 HE3 MET 124 -6.994 3.204 -3.092 1026 3HE MET 124 HE2 MET 124 -5.337 3.061 -2.516 1027 NH1 ARG 125 NH2 ARG 125 -12.498 0.979 -14.468 1028 NH2 ARG 125 NH1 ARG 125 -13.868 2.646 -13.798 1029 H ARG 125 HN ARG 125 -8.239 -0.035 -8.188 1030 HA ARG 125 HA ARG 125 -10.377 1.834 -8.643 1031 1HB ARG 125 HB2 ARG 125 -8.340 1.108 -10.158 1032 2HB ARG 125 HB1 ARG 125 -9.493 -0.076 -10.773 1033 1HG ARG 125 HG2 ARG 125 -10.690 2.569 -10.537 1034 2HG ARG 125 HG1 ARG 125 -9.276 2.585 -11.591 1035 1HD ARG 125 HD2 ARG 125 -10.267 1.249 -13.162 1036 2HD ARG 125 HD1 ARG 125 -11.140 0.304 -11.957 1037 HE ARG 125 HE ARG 125 -12.349 2.804 -11.883 1038 1HH1 ARG 125 HH21 ARG 125 -11.694 0.403 -14.330 1039 2HH1 ARG 125 HH22 ARG 125 -13.069 0.846 -15.278 1040 1HH2 ARG 125 HH11 ARG 125 -14.117 3.354 -13.138 1041 2HH2 ARG 125 HH12 ARG 125 -14.430 2.503 -14.613 1042 H GLU 126 HN GLU 126 -10.340 -1.648 -8.297 1043 HA GLU 126 HA GLU 126 -12.999 -1.895 -9.555 1044 1HB GLU 126 HB2 GLU 126 -10.811 -3.605 -9.230 1045 2HB GLU 126 HB1 GLU 126 -12.070 -4.277 -8.191 1046 1HG GLU 126 HG2 GLU 126 -13.670 -4.135 -10.100 1047 2HG GLU 126 HG1 GLU 126 -12.346 -3.586 -11.130 1048 H LYS 127 HN LYS 127 -11.639 -2.141 -6.265 1049 HA LYS 127 HA LYS 127 -14.284 -2.897 -5.207 1050 1HB LYS 127 HB2 LYS 127 -11.545 -2.587 -4.003 1051 2HB LYS 127 HB1 LYS 127 -12.972 -2.817 -2.991 1052 1HG LYS 127 HG2 LYS 127 -13.320 -4.750 -4.914 1053 2HG LYS 127 HG1 LYS 127 -11.568 -4.744 -4.714 1054 1HD LYS 127 HD2 LYS 127 -12.278 -4.651 -2.121 1055 2HD LYS 127 HD1 LYS 127 -13.695 -5.486 -2.763 1056 1HE LYS 127 HE2 LYS 127 -10.889 -6.362 -3.463 1057 2HE LYS 127 HE1 LYS 127 -11.715 -6.956 -2.024 1058 1HZ LYS 127 HZ3 LYS 127 -13.312 -7.046 -4.416 1059 2HZ LYS 127 HZ2 LYS 127 -11.931 -8.036 -4.479 1060 3HZ LYS 127 HZ1 LYS 127 -13.066 -8.236 -3.232 1061 OH TYR 128 OH TYR 128 -13.032 5.409 -9.231 1062 H TYR 128 HN TYR 128 -12.315 0.039 -5.316 1063 HA TYR 128 HA TYR 128 -13.722 1.353 -3.169 1064 1HB TYR 128 HB2 TYR 128 -12.357 3.139 -3.574 1065 2HB TYR 128 HB1 TYR 128 -11.443 1.920 -4.457 1066 HD1 TYR 128 HD2 TYR 128 -12.432 1.509 -6.957 1067 HD2 TYR 128 HD1 TYR 128 -12.732 5.142 -4.687 1068 HE1 TYR 128 HE2 TYR 128 -12.708 2.794 -9.055 1069 HE2 TYR 128 HE1 TYR 128 -13.016 6.430 -6.787 1070 HH TYR 128 HH TYR 128 -13.305 6.301 -9.003 1071 H SER 129 HN SER 129 -14.866 0.522 -6.245 1072 HA SER 129 HA SER 129 -16.607 2.900 -6.471 1073 1HB SER 129 HB2 SER 129 -17.422 1.779 -8.547 1074 2HB SER 129 HB1 SER 129 -15.682 2.054 -8.549 1075 HG SER 129 HG SER 129 -17.131 -0.300 -8.453 1076 H LYS 130 HN LYS 130 -16.825 0.658 -4.316 1077 HA LYS 130 HA LYS 130 -19.723 0.113 -4.815 1078 1HB LYS 130 HB2 LYS 130 -17.536 -1.708 -4.188 1079 2HB LYS 130 HB1 LYS 130 -18.832 -1.826 -3.001 1080 1HG LYS 130 HG2 LYS 130 -20.255 -1.705 -5.342 1081 2HG LYS 130 HG1 LYS 130 -18.821 -2.596 -5.845 1082 1HD LYS 130 HD2 LYS 130 -19.151 -4.165 -3.950 1083 2HD LYS 130 HD1 LYS 130 -20.622 -3.297 -3.507 1084 1HE LYS 130 HE2 LYS 130 -21.761 -3.980 -5.445 1085 2HE LYS 130 HE1 LYS 130 -20.267 -4.367 -6.300 1086 1HZ LYS 130 HZ2 LYS 130 -20.961 -5.824 -3.841 1087 2HZ LYS 130 HZ1 LYS 130 -21.701 -6.256 -5.308 1088 3HZ LYS 130 HZ3 LYS 130 -20.012 -6.327 -5.158 1089 H CYS 131 HN CYS 131 -18.856 2.448 -3.505 1090 HA CYS 131 HA CYS 131 -19.054 1.906 -0.608 1091 1HB CYS 131 HB2 CYS 131 -17.534 3.684 -1.565 1092 2HB CYS 131 HB1 CYS 131 -18.984 4.601 -1.977 1093 H SER 132 HN SER 132 -21.307 2.366 -3.105 1094 HA SER 132 HA SER 132 -23.217 3.925 -1.536 1095 1HB SER 132 HB2 SER 132 -24.712 3.637 -3.394 1096 2HB SER 132 HB1 SER 132 -23.107 3.902 -4.068 1097 HG SER 132 HG SER 132 -24.564 1.493 -3.800 1098 H SER 133 HN SER 133 -25.528 2.891 -1.341 1099 HA SER 133 HA SER 133 -25.286 0.060 -0.421 1100 1HB SER 133 HB2 SER 133 -26.802 0.733 1.511 1101 2HB SER 133 HB1 SER 133 -25.154 1.349 1.601 1102 HG SER 133 HG SER 133 -27.556 2.670 1.158 Start of MODEL 16 Raw file had 1102 H/Q atoms Start of MODEL 16 1 1H GLU 1 HT1 GLU 1 -18.750 21.514 1.239 2 2H GLU 1 HT3 GLU 1 -17.778 20.819 2.444 3 3H GLU 1 HT2 GLU 1 -17.101 21.915 1.336 4 HA GLU 1 HA GLU 1 -17.335 20.403 -0.458 5 1HB GLU 1 HB2 GLU 1 -15.909 19.725 1.988 6 2HB GLU 1 HB1 GLU 1 -16.335 18.279 1.070 7 1HG GLU 1 HG2 GLU 1 -15.458 19.663 -0.983 8 2HG GLU 1 HG1 GLU 1 -14.616 20.602 0.251 9 H ALA 2 HN ALA 2 -17.740 17.897 -0.839 10 HA ALA 2 HA ALA 2 -20.560 17.456 -0.392 11 1HB ALA 2 HB3 ALA 2 -18.337 15.756 -1.529 12 2HB ALA 2 HB2 ALA 2 -19.977 15.135 -1.345 13 3HB ALA 2 HB1 ALA 2 -19.673 16.525 -2.388 14 H GLU 3 HN GLU 3 -20.915 17.361 1.865 15 HA GLU 3 HA GLU 3 -19.371 15.631 3.604 16 1HB GLU 3 HB2 GLU 3 -20.727 17.672 4.311 17 2HB GLU 3 HB1 GLU 3 -22.167 16.675 4.109 18 1HG GLU 3 HG2 GLU 3 -21.003 14.982 5.660 19 2HG GLU 3 HG1 GLU 3 -19.892 16.294 6.057 20 H ALA 4 HN ALA 4 -19.588 13.448 3.794 21 HA ALA 4 HA ALA 4 -22.161 12.129 3.659 22 1HB ALA 4 HB3 ALA 4 -21.417 12.657 1.196 23 2HB ALA 4 HB2 ALA 4 -20.314 11.303 1.438 24 3HB ALA 4 HB1 ALA 4 -22.055 11.061 1.585 25 H HIS 5 HN HIS 5 -21.237 9.550 2.929 26 HA HIS 5 HA HIS 5 -19.857 8.799 5.366 27 1HB HIS 5 HB2 HIS 5 -21.571 7.460 3.857 28 2HB HIS 5 HB1 HIS 5 -20.104 6.938 3.027 29 HD1 HIS 5 HD1 HIS 5 -21.897 6.695 6.318 30 HD2 HIS 5 HD2 HIS 5 -18.396 5.258 4.569 31 HE1 HIS 5 HE1 HIS 5 -21.008 4.899 7.866 32 H LYS 6 HN LYS 6 -17.735 7.904 5.534 33 HA LYS 6 HA LYS 6 -15.861 8.932 3.489 34 1HB LYS 6 HB2 LYS 6 -15.453 7.708 6.232 35 2HB LYS 6 HB1 LYS 6 -14.125 8.183 5.172 36 1HG LYS 6 HG2 LYS 6 -14.454 10.405 5.544 37 2HG LYS 6 HG1 LYS 6 -16.210 10.243 5.544 38 1HD LYS 6 HD2 LYS 6 -16.234 9.480 7.812 39 2HD LYS 6 HD1 LYS 6 -14.484 9.257 7.824 40 1HE LYS 6 HE2 LYS 6 -15.294 11.361 8.984 41 2HE LYS 6 HE1 LYS 6 -14.099 11.627 7.713 42 1HZ LYS 6 HZ3 LYS 6 -16.937 11.662 6.990 43 2HZ LYS 6 HZ2 LYS 6 -16.299 13.010 7.803 44 3HZ LYS 6 HZ1 LYS 6 -15.640 12.520 6.315 45 H CYS 7 HN CYS 7 -16.934 7.140 2.053 46 HA CYS 7 HA CYS 7 -15.385 4.604 2.425 47 1HB CYS 7 HB2 CYS 7 -17.698 4.051 2.661 48 2HB CYS 7 HB1 CYS 7 -18.155 5.076 1.301 49 H ASP 8 HN ASP 8 -17.010 6.524 -0.131 50 HA ASP 8 HA ASP 8 -15.056 5.530 -2.103 51 1HB ASP 8 HB2 ASP 8 -17.498 5.791 -2.645 52 2HB ASP 8 HB1 ASP 8 -17.296 7.536 -2.481 53 H ILE 9 HN ILE 9 -15.715 8.435 -0.249 54 HA ILE 9 HA ILE 9 -14.080 10.215 -1.820 55 HB ILE 9 HB ILE 9 -14.702 10.409 1.141 56 1HG1 ILE 9 HG12 ILE 9 -16.790 10.106 -0.072 57 2HG1 ILE 9 HG11 ILE 9 -16.640 11.807 0.366 58 1HG2 ILE 9 HG21 ILE 9 -13.056 11.959 -0.435 59 2HG2 ILE 9 HG23 ILE 9 -14.591 12.824 -0.532 60 3HG2 ILE 9 HG22 ILE 9 -13.853 12.509 1.039 61 1HD1 ILE 9 HD11 ILE 9 -15.430 11.924 -2.015 62 2HD1 ILE 9 HD13 ILE 9 -16.447 10.516 -2.319 63 3HD1 ILE 9 HD12 ILE 9 -17.183 12.052 -1.863 64 H THR 10 HN THR 10 -13.426 8.546 1.287 65 HA THR 10 HA THR 10 -10.692 9.318 1.451 66 HB THR 10 HB THR 10 -11.816 6.707 2.483 67 HG1 THR 10 HG1 THR 10 -13.218 8.140 3.271 68 1HG2 THR 10 HG21 THR 10 -9.635 8.583 3.432 69 2HG2 THR 10 HG23 THR 10 -10.188 7.164 4.320 70 3HG2 THR 10 HG22 THR 10 -9.410 6.973 2.749 71 H LEU 11 HN LEU 11 -12.220 6.495 -0.100 72 HA LEU 11 HA LEU 11 -9.725 5.232 -0.816 73 1HB LEU 11 HB2 LEU 11 -12.571 4.809 -1.343 74 2HB LEU 11 HB1 LEU 11 -11.557 4.447 -2.738 75 HG LEU 11 HG LEU 11 -10.540 3.444 -0.162 76 1HD1 LEU 11 HD11 LEU 11 -13.252 3.077 -0.648 77 2HD1 LEU 11 HD13 LEU 11 -12.514 1.604 -1.279 78 3HD1 LEU 11 HD12 LEU 11 -12.249 2.073 0.399 79 1HD2 LEU 11 HD23 LEU 11 -10.311 2.930 -2.984 80 2HD2 LEU 11 HD22 LEU 11 -9.320 2.301 -1.668 81 3HD2 LEU 11 HD21 LEU 11 -10.782 1.446 -2.157 82 H GLN 12 HN GLN 12 -11.572 7.852 -2.209 83 HA GLN 12 HA GLN 12 -10.467 7.668 -4.867 84 1HB GLN 12 HB2 GLN 12 -12.086 9.602 -3.330 85 2HB GLN 12 HB1 GLN 12 -11.082 10.312 -4.595 86 1HG GLN 12 HG2 GLN 12 -12.056 8.228 -5.977 87 2HG GLN 12 HG1 GLN 12 -13.383 8.434 -4.833 88 1HE2 GLN 12 HE22 GLN 12 -14.132 10.681 -7.689 89 2HE2 GLN 12 HE21 GLN 12 -14.031 9.006 -7.438 90 H GLU 13 HN GLU 13 -9.750 9.984 -2.234 91 HA GLU 13 HA GLU 13 -7.426 11.063 -3.481 92 1HB GLU 13 HB2 GLU 13 -6.789 11.741 -1.114 93 2HB GLU 13 HB1 GLU 13 -8.380 12.277 -1.650 94 1HG GLU 13 HG2 GLU 13 -8.778 9.718 -0.525 95 2HG GLU 13 HG1 GLU 13 -7.698 10.565 0.578 96 H ILE 14 HN ILE 14 -7.869 8.235 -1.429 97 HA ILE 14 HA ILE 14 -5.051 7.739 -1.022 98 HB ILE 14 HB ILE 14 -7.598 6.383 -0.435 99 1HG1 ILE 14 HG12 ILE 14 -6.070 5.695 1.567 100 2HG1 ILE 14 HG11 ILE 14 -4.927 6.848 0.876 101 1HG2 ILE 14 HG23 ILE 14 -5.091 4.809 -1.068 102 2HG2 ILE 14 HG22 ILE 14 -6.393 4.179 -0.058 103 3HG2 ILE 14 HG21 ILE 14 -6.706 4.592 -1.742 104 1HD1 ILE 14 HD11 ILE 14 -7.325 8.234 0.813 105 2HD1 ILE 14 HD13 ILE 14 -7.421 7.343 2.331 106 3HD1 ILE 14 HD12 ILE 14 -6.064 8.429 2.032 107 H ILE 15 HN ILE 15 -7.328 6.972 -3.573 108 HA ILE 15 HA ILE 15 -5.743 4.884 -4.799 109 HB ILE 15 HB ILE 15 -8.105 6.531 -5.560 110 1HG1 ILE 15 HG12 ILE 15 -7.410 3.588 -5.903 111 2HG1 ILE 15 HG11 ILE 15 -8.280 4.263 -4.525 112 1HG2 ILE 15 HG22 ILE 15 -6.193 5.267 -7.531 113 2HG2 ILE 15 HG21 ILE 15 -7.893 5.531 -7.918 114 3HG2 ILE 15 HG23 ILE 15 -6.849 6.904 -7.547 115 1HD1 ILE 15 HD12 ILE 15 -9.975 5.176 -6.179 116 2HD1 ILE 15 HD11 ILE 15 -9.174 4.207 -7.416 117 3HD1 ILE 15 HD13 ILE 15 -9.940 3.418 -6.037 118 H LYS 16 HN LYS 16 -6.079 8.384 -5.343 119 HA LYS 16 HA LYS 16 -4.291 8.613 -7.533 120 1HB LYS 16 HB2 LYS 16 -5.636 10.385 -5.751 121 2HB LYS 16 HB1 LYS 16 -3.932 10.839 -5.745 122 1HG LYS 16 HG2 LYS 16 -4.044 11.662 -7.848 123 2HG LYS 16 HG1 LYS 16 -4.917 10.246 -8.436 124 1HD LYS 16 HD2 LYS 16 -6.283 12.305 -8.631 125 2HD LYS 16 HD1 LYS 16 -7.017 11.138 -7.530 126 1HE LYS 16 HE2 LYS 16 -6.010 12.346 -5.608 127 2HE LYS 16 HE1 LYS 16 -5.343 13.536 -6.725 128 1HZ LYS 16 HZ1 LYS 16 -8.056 13.244 -7.303 129 2HZ LYS 16 HZ3 LYS 16 -7.920 13.430 -5.623 130 3HZ LYS 16 HZ2 LYS 16 -7.262 14.603 -6.661 131 H THR 17 HN THR 17 -3.640 8.928 -4.041 132 HA THR 17 HA THR 17 -0.827 9.220 -4.189 133 HB THR 17 HB THR 17 -2.189 7.575 -2.054 134 HG1 THR 17 HG1 THR 17 -3.412 9.228 -1.705 135 1HG2 THR 17 HG22 THR 17 0.392 8.753 -2.438 136 2HG2 THR 17 HG21 THR 17 -0.398 9.568 -1.088 137 3HG2 THR 17 HG23 THR 17 -0.189 7.817 -1.061 138 H LEU 18 HN LEU 18 -2.880 6.368 -4.433 139 HA LEU 18 HA LEU 18 -0.976 4.323 -4.136 140 1HB LEU 18 HB2 LEU 18 -3.591 4.334 -4.766 141 2HB LEU 18 HB1 LEU 18 -2.921 4.032 -6.367 142 HG LEU 18 HG LEU 18 -2.682 2.354 -3.877 143 1HD1 LEU 18 HD12 LEU 18 -4.404 2.105 -5.843 144 2HD1 LEU 18 HD11 LEU 18 -3.035 1.411 -6.708 145 3HD1 LEU 18 HD13 LEU 18 -3.599 0.669 -5.212 146 1HD2 LEU 18 HD21 LEU 18 -0.802 2.435 -6.251 147 2HD2 LEU 18 HD23 LEU 18 -0.384 2.511 -4.538 148 3HD2 LEU 18 HD22 LEU 18 -0.977 1.007 -5.235 149 H ASN 19 HN ASN 19 -1.984 5.896 -7.191 150 HA ASN 19 HA ASN 19 -0.020 4.682 -8.846 151 1HB ASN 19 HB2 ASN 19 -1.757 7.094 -9.016 152 2HB ASN 19 HB1 ASN 19 -0.366 7.046 -10.098 153 1HD2 ASN 19 HD22 ASN 19 -3.537 5.066 -11.276 154 2HD2 ASN 19 HD21 ASN 19 -3.513 6.453 -10.296 155 H SER 20 HN SER 20 0.204 7.408 -6.640 156 HA SER 20 HA SER 20 2.608 8.556 -7.690 157 1HB SER 20 HB2 SER 20 1.627 8.490 -4.823 158 2HB SER 20 HB1 SER 20 2.871 9.564 -5.454 159 HG SER 20 HG SER 20 1.321 10.466 -6.824 160 H LEU 21 HN LEU 21 2.077 5.975 -5.290 161 HA LEU 21 HA LEU 21 4.882 5.639 -4.691 162 1HB LEU 21 HB2 LEU 21 2.429 3.936 -4.261 163 2HB LEU 21 HB1 LEU 21 4.036 3.328 -3.868 164 HG LEU 21 HG LEU 21 4.248 5.679 -2.647 165 1HD1 LEU 21 HD12 LEU 21 1.271 5.105 -2.702 166 2HD1 LEU 21 HD11 LEU 21 2.043 6.242 -1.595 167 3HD1 LEU 21 HD13 LEU 21 2.080 6.540 -3.333 168 1HD2 LEU 21 HD23 LEU 21 2.956 3.117 -1.740 169 2HD2 LEU 21 HD22 LEU 21 4.552 3.754 -1.349 170 3HD2 LEU 21 HD21 LEU 21 3.116 4.469 -0.618 171 H THR 22 HN THR 22 3.001 4.726 -7.426 172 HA THR 22 HA THR 22 4.593 2.369 -8.089 173 HB THR 22 HB THR 22 3.113 3.689 -10.271 174 HG1 THR 22 HG1 THR 22 1.104 3.028 -9.248 175 1HG2 THR 22 HG21 THR 22 3.373 0.966 -9.026 176 2HG2 THR 22 HG23 THR 22 2.057 1.300 -10.152 177 3HG2 THR 22 HG22 THR 22 3.733 1.471 -10.677 178 H GLU 23 HN GLU 23 4.904 5.792 -8.610 179 HA GLU 23 HA GLU 23 6.369 5.873 -11.011 180 1HB GLU 23 HB2 GLU 23 5.740 7.678 -8.976 181 2HB GLU 23 HB1 GLU 23 7.504 7.647 -9.000 182 1HG GLU 23 HG2 GLU 23 7.073 9.252 -10.629 183 2HG GLU 23 HG1 GLU 23 7.169 7.792 -11.614 184 H GLN 24 HN GLN 24 7.551 5.228 -7.716 185 HA GLN 24 HA GLN 24 10.119 4.282 -8.949 186 1HB GLN 24 HB2 GLN 24 9.800 5.293 -6.115 187 2HB GLN 24 HB1 GLN 24 11.296 5.038 -7.014 188 1HG GLN 24 HG2 GLN 24 10.307 6.785 -8.681 189 2HG GLN 24 HG1 GLN 24 9.251 7.222 -7.338 190 1HE2 GLN 24 HE22 GLN 24 11.992 9.436 -6.609 191 2HE2 GLN 24 HE21 GLN 24 10.507 9.350 -7.427 192 H LYS 25 HN LYS 25 8.034 2.497 -8.814 193 HA LYS 25 HA LYS 25 8.887 0.757 -6.545 194 1HB LYS 25 HB2 LYS 25 6.253 1.711 -7.166 195 2HB LYS 25 HB1 LYS 25 6.291 -0.036 -7.394 196 1HG LYS 25 HG2 LYS 25 5.717 0.613 -5.047 197 2HG LYS 25 HG1 LYS 25 7.183 -0.357 -5.148 198 1HD LYS 25 HD2 LYS 25 8.589 1.516 -4.787 199 2HD LYS 25 HD1 LYS 25 7.296 2.659 -5.136 200 1HE LYS 25 HE2 LYS 25 6.727 0.786 -2.926 201 2HE LYS 25 HE1 LYS 25 8.050 1.909 -2.615 202 1HZ LYS 25 HZ3 LYS 25 6.013 3.359 -3.822 203 2HZ LYS 25 HZ2 LYS 25 5.279 2.407 -2.622 204 3HZ LYS 25 HZ1 LYS 25 6.547 3.462 -2.217 205 H THR 26 HN THR 26 10.458 0.196 -8.264 206 HA THR 26 HA THR 26 9.466 -2.148 -9.785 207 HB THR 26 HB THR 26 11.162 -1.265 -11.633 208 HG1 THR 26 HG1 THR 26 11.830 0.624 -10.920 209 1HG2 THR 26 HG22 THR 26 8.366 -1.279 -11.301 210 2HG2 THR 26 HG21 THR 26 8.758 0.307 -11.964 211 3HG2 THR 26 HG23 THR 26 9.254 -1.153 -12.819 212 H LEU 27 HN LEU 27 12.268 -0.166 -8.866 213 HA LEU 27 HA LEU 27 14.042 -2.520 -8.810 214 1HB LEU 27 HB2 LEU 27 14.538 0.049 -9.421 215 2HB LEU 27 HB1 LEU 27 14.829 0.143 -7.686 216 HG LEU 27 HG LEU 27 16.927 -0.380 -8.820 217 1HD1 LEU 27 HD12 LEU 27 16.104 -1.598 -6.635 218 2HD1 LEU 27 HD11 LEU 27 16.074 -3.021 -7.677 219 3HD1 LEU 27 HD13 LEU 27 17.580 -2.137 -7.435 220 1HD2 LEU 27 HD22 LEU 27 15.433 -1.622 -10.692 221 2HD2 LEU 27 HD21 LEU 27 17.148 -1.966 -10.470 222 3HD2 LEU 27 HD23 LEU 27 15.937 -3.029 -9.755 223 H CYS 28 HN CYS 28 12.325 -0.371 -6.604 224 HA CYS 28 HA CYS 28 13.542 -1.561 -4.220 225 1HB CYS 28 HB2 CYS 28 12.179 0.811 -4.757 226 2HB CYS 28 HB1 CYS 28 11.042 -0.120 -3.781 227 H THR 29 HN THR 29 10.775 -2.181 -6.253 228 HA THR 29 HA THR 29 9.237 -3.656 -4.305 229 HB THR 29 HB THR 29 7.986 -4.496 -6.253 230 HG1 THR 29 HG1 THR 29 9.676 -3.024 -7.925 231 1HG2 THR 29 HG23 THR 29 8.762 -1.573 -6.307 232 2HG2 THR 29 HG22 THR 29 7.424 -2.240 -7.244 233 3HG2 THR 29 HG21 THR 29 7.383 -2.301 -5.484 234 H GLU 30 HN GLU 30 12.184 -4.380 -5.824 235 HA GLU 30 HA GLU 30 11.927 -7.173 -6.301 236 1HB GLU 30 HB2 GLU 30 14.346 -7.191 -6.298 237 2HB GLU 30 HB1 GLU 30 13.819 -5.678 -7.036 238 1HG GLU 30 HG2 GLU 30 14.098 -4.540 -4.843 239 2HG GLU 30 HG1 GLU 30 14.720 -6.045 -4.164 240 H LEU 31 HN LEU 31 11.870 -5.458 -3.320 241 HA LEU 31 HA LEU 31 12.924 -7.680 -1.728 242 1HB LEU 31 HB2 LEU 31 11.563 -5.121 -0.822 243 2HB LEU 31 HB1 LEU 31 12.476 -6.238 0.192 244 HG LEU 31 HG LEU 31 13.903 -5.215 -2.199 245 1HD1 LEU 31 HD13 LEU 31 13.188 -3.461 0.169 246 2HD1 LEU 31 HD12 LEU 31 14.477 -3.094 -0.976 247 3HD1 LEU 31 HD11 LEU 31 12.803 -3.161 -1.527 248 1HD2 LEU 31 HD21 LEU 31 14.513 -5.750 0.715 249 2HD2 LEU 31 HD23 LEU 31 15.121 -6.613 -0.698 250 3HD2 LEU 31 HD22 LEU 31 15.678 -4.975 -0.358 251 H THR 32 HN THR 32 11.389 -9.223 -2.447 252 HA THR 32 HA THR 32 8.706 -9.398 -2.623 253 HB THR 32 HB THR 32 8.952 -11.632 -1.223 254 HG1 THR 32 HG1 THR 32 10.854 -11.880 -0.412 255 1HG2 THR 32 HG23 THR 32 9.865 -10.797 -3.894 256 2HG2 THR 32 HG22 THR 32 10.618 -12.282 -3.311 257 3HG2 THR 32 HG21 THR 32 8.861 -12.169 -3.426 258 H VAL 33 HN VAL 33 6.857 -9.398 -1.326 259 HA VAL 33 HA VAL 33 7.273 -8.753 1.560 260 HB VAL 33 HB VAL 33 5.121 -7.340 1.245 261 1HG1 VAL 33 HG13 VAL 33 7.393 -6.422 1.645 262 2HG1 VAL 33 HG12 VAL 33 7.703 -6.472 -0.090 263 3HG1 VAL 33 HG11 VAL 33 6.456 -5.403 0.553 264 1HG2 VAL 33 HG21 VAL 33 5.021 -8.420 -1.201 265 2HG2 VAL 33 HG23 VAL 33 4.448 -6.780 -0.901 266 3HG2 VAL 33 HG22 VAL 33 6.052 -7.041 -1.584 267 H THR 34 HN THR 34 3.947 -8.800 0.645 268 HA THR 34 HA THR 34 3.750 -11.699 1.288 269 HB THR 34 HB THR 34 3.071 -9.537 3.032 270 HG1 THR 34 HG1 THR 34 2.868 -12.335 3.004 271 1HG2 THR 34 HG21 THR 34 0.906 -9.433 1.845 272 2HG2 THR 34 HG23 THR 34 0.678 -11.163 2.119 273 3HG2 THR 34 HG22 THR 34 0.706 -10.049 3.484 274 H ASP 35 HN ASP 35 1.692 -12.639 0.594 275 HA ASP 35 HA ASP 35 0.461 -11.082 -1.640 276 1HB ASP 35 HB2 ASP 35 1.615 -13.515 -1.814 277 2HB ASP 35 HB1 ASP 35 -0.022 -14.008 -1.381 278 H ILE 36 HN ILE 36 -1.316 -10.069 -0.737 279 HA ILE 36 HA ILE 36 -3.027 -11.631 1.119 280 HB ILE 36 HB ILE 36 -3.955 -9.573 1.818 281 1HG1 ILE 36 HG12 ILE 36 -2.893 -8.499 -0.808 282 2HG1 ILE 36 HG11 ILE 36 -4.572 -8.579 -0.275 283 1HG2 ILE 36 HG23 ILE 36 -1.332 -9.976 2.070 284 2HG2 ILE 36 HG22 ILE 36 -1.256 -8.523 1.072 285 3HG2 ILE 36 HG21 ILE 36 -2.085 -8.481 2.629 286 1HD1 ILE 36 HD11 ILE 36 -3.421 -7.128 1.749 287 2HD1 ILE 36 HD13 ILE 36 -2.502 -6.578 0.347 288 3HD1 ILE 36 HD12 ILE 36 -4.259 -6.425 0.365 289 H PHE 37 HN PHE 37 -2.867 -11.949 -1.931 290 HA PHE 37 HA PHE 37 -5.803 -11.639 -2.409 291 1HB PHE 37 HB2 PHE 37 -3.625 -11.373 -4.506 292 2HB PHE 37 HB1 PHE 37 -5.354 -11.120 -4.741 293 HD1 PHE 37 HD2 PHE 37 -6.466 -9.348 -3.122 294 HD2 PHE 37 HD1 PHE 37 -2.273 -9.530 -4.033 295 HE1 PHE 37 HE2 PHE 37 -6.215 -6.978 -2.436 296 HE2 PHE 37 HE1 PHE 37 -2.021 -7.160 -3.347 297 HZ PHE 37 HZ PHE 37 -3.992 -5.884 -2.549 298 H ALA 38 HN ALA 38 -4.465 -13.951 -1.337 299 HA ALA 38 HA ALA 38 -4.425 -15.821 -3.657 300 1HB ALA 38 HB2 ALA 38 -2.878 -15.618 -1.269 301 2HB ALA 38 HB1 ALA 38 -3.782 -17.131 -1.197 302 3HB ALA 38 HB3 ALA 38 -2.722 -16.802 -2.567 303 H ALA 39 HN ALA 39 -6.198 -15.058 -0.724 304 HA ALA 39 HA ALA 39 -8.193 -17.123 -1.523 305 1HB ALA 39 HB2 ALA 39 -6.817 -18.065 0.310 306 2HB ALA 39 HB1 ALA 39 -7.219 -16.672 1.314 307 3HB ALA 39 HB3 ALA 39 -8.483 -17.798 0.823 308 H SER 40 HN SER 40 -9.834 -15.748 -2.120 309 HA SER 40 HA SER 40 -10.580 -13.580 -0.199 310 1HB SER 40 HB2 SER 40 -10.100 -13.358 -2.890 311 2HB SER 40 HB1 SER 40 -11.846 -13.593 -2.868 312 HG SER 40 HG SER 40 -11.247 -11.385 -2.652 313 H LYS 41 HN LYS 41 -12.036 -14.591 1.173 314 HA LYS 41 HA LYS 41 -14.341 -15.975 -0.145 315 1HB LYS 41 HB2 LYS 41 -12.865 -16.603 2.412 316 2HB LYS 41 HB1 LYS 41 -14.508 -17.185 2.132 317 1HG LYS 41 HG2 LYS 41 -12.376 -17.606 0.049 318 2HG LYS 41 HG1 LYS 41 -12.508 -18.705 1.422 319 1HD LYS 41 HD2 LYS 41 -15.051 -18.770 0.780 320 2HD LYS 41 HD1 LYS 41 -14.481 -18.197 -0.787 321 1HE LYS 41 HE2 LYS 41 -12.913 -20.431 0.326 322 2HE LYS 41 HE1 LYS 41 -14.586 -20.836 -0.051 323 1HZ LYS 41 HZ1 LYS 41 -13.292 -19.244 -2.067 324 2HZ LYS 41 HZ3 LYS 41 -12.566 -20.760 -1.838 325 3HZ LYS 41 HZ2 LYS 41 -14.216 -20.661 -2.228 326 H ASP 42 HN ASP 42 -13.479 -14.368 2.954 327 HA ASP 42 HA ASP 42 -16.145 -13.018 2.805 328 1HB ASP 42 HB2 ASP 42 -15.394 -13.196 5.524 329 2HB ASP 42 HB1 ASP 42 -16.712 -14.050 4.721 330 H THR 43 HN THR 43 -13.400 -12.090 2.020 331 HA THR 43 HA THR 43 -12.970 -9.951 4.050 332 HB THR 43 HB THR 43 -10.926 -9.520 2.444 333 HG1 THR 43 HG1 THR 43 -10.440 -11.145 1.144 334 1HG2 THR 43 HG23 THR 43 -11.393 -11.222 4.717 335 2HG2 THR 43 HG22 THR 43 -10.163 -11.948 3.683 336 3HG2 THR 43 HG21 THR 43 -9.942 -10.311 4.301 337 H THR 44 HN THR 44 -13.776 -7.954 3.623 338 HA THR 44 HA THR 44 -14.853 -7.417 0.923 339 HB THR 44 HB THR 44 -15.060 -5.315 2.987 340 HG1 THR 44 HG1 THR 44 -16.850 -6.807 3.849 341 1HG2 THR 44 HG23 THR 44 -16.406 -6.164 0.662 342 2HG2 THR 44 HG22 THR 44 -17.529 -6.436 1.994 343 3HG2 THR 44 HG21 THR 44 -16.853 -4.829 1.724 344 H GLU 45 HN GLU 45 -14.599 -4.587 0.946 345 HA GLU 45 HA GLU 45 -11.877 -4.353 -0.052 346 1HB GLU 45 HB2 GLU 45 -12.501 -2.070 -0.627 347 2HB GLU 45 HB1 GLU 45 -13.823 -3.150 -1.064 348 1HG GLU 45 HG2 GLU 45 -14.860 -2.617 1.193 349 2HG GLU 45 HG1 GLU 45 -13.644 -1.352 1.362 350 H LYS 46 HN LYS 46 -13.653 -3.117 2.775 351 HA LYS 46 HA LYS 46 -11.523 -1.511 3.809 352 1HB LYS 46 HB2 LYS 46 -12.777 -1.443 5.845 353 2HB LYS 46 HB1 LYS 46 -13.970 -1.518 4.548 354 1HG LYS 46 HG2 LYS 46 -13.973 -4.044 4.855 355 2HG LYS 46 HG1 LYS 46 -13.038 -3.780 6.328 356 1HD LYS 46 HD2 LYS 46 -14.796 -2.633 7.387 357 2HD LYS 46 HD1 LYS 46 -15.615 -2.293 5.863 358 1HE LYS 46 HE2 LYS 46 -15.749 -4.921 5.696 359 2HE LYS 46 HE1 LYS 46 -15.545 -4.839 7.446 360 1HZ LYS 46 HZ3 LYS 46 -17.416 -2.906 6.704 361 2HZ LYS 46 HZ2 LYS 46 -17.859 -4.356 5.938 362 3HZ LYS 46 HZ1 LYS 46 -17.670 -4.306 7.626 363 H GLU 47 HN GLU 47 -12.280 -4.946 4.096 364 HA GLU 47 HA GLU 47 -10.303 -5.461 6.157 365 1HB GLU 47 HB2 GLU 47 -11.863 -7.213 4.255 366 2HB GLU 47 HB1 GLU 47 -10.633 -7.883 5.326 367 1HG GLU 47 HG2 GLU 47 -12.361 -6.087 6.792 368 2HG GLU 47 HG1 GLU 47 -13.317 -7.322 5.973 369 H THR 48 HN THR 48 -10.354 -5.712 2.610 370 HA THR 48 HA THR 48 -7.748 -6.899 2.373 371 HB THR 48 HB THR 48 -9.308 -5.187 0.415 372 HG1 THR 48 HG1 THR 48 -9.013 -7.984 0.772 373 1HG2 THR 48 HG22 THR 48 -6.628 -6.369 0.324 374 2HG2 THR 48 HG21 THR 48 -7.655 -6.880 -1.016 375 3HG2 THR 48 HG23 THR 48 -7.361 -5.164 -0.734 376 H PHE 49 HN PHE 49 -8.812 -3.598 2.879 377 HA PHE 49 HA PHE 49 -6.221 -2.455 2.124 378 1HB PHE 49 HB2 PHE 49 -8.624 -1.260 3.537 379 2HB PHE 49 HB1 PHE 49 -7.183 -0.346 3.090 380 HD1 PHE 49 HD2 PHE 49 -6.496 -1.470 0.451 381 HD2 PHE 49 HD1 PHE 49 -10.334 -0.495 2.121 382 HE1 PHE 49 HE2 PHE 49 -7.414 -1.171 -1.829 383 HE2 PHE 49 HE1 PHE 49 -11.250 -0.193 -0.162 384 HZ PHE 49 HZ PHE 49 -9.790 -0.533 -2.138 385 H CYS 50 HN CYS 50 -7.863 -3.439 5.099 386 HA CYS 50 HA CYS 50 -5.904 -2.278 6.884 387 1HB CYS 50 HB2 CYS 50 -7.263 -3.073 8.517 388 2HB CYS 50 HB1 CYS 50 -8.365 -3.481 7.203 389 NH1 ARG 51 NH2 ARG 51 -4.787 -10.833 3.831 390 NH2 ARG 51 NH1 ARG 51 -5.492 -12.669 4.940 391 H ARG 51 HN ARG 51 -6.133 -5.304 5.103 392 HA ARG 51 HA ARG 51 -3.958 -6.607 6.524 393 1HB ARG 51 HB2 ARG 51 -5.658 -7.173 4.177 394 2HB ARG 51 HB1 ARG 51 -4.014 -7.800 4.049 395 1HG ARG 51 HG2 ARG 51 -4.389 -9.385 5.616 396 2HG ARG 51 HG1 ARG 51 -5.175 -8.237 6.697 397 1HD ARG 51 HD2 ARG 51 -7.240 -8.839 6.014 398 2HD ARG 51 HD1 ARG 51 -6.781 -8.833 4.316 399 HE ARG 51 HE ARG 51 -7.103 -11.143 5.962 400 1HH1 ARG 51 HH21 ARG 51 -4.867 -9.864 3.612 401 2HH1 ARG 51 HH22 ARG 51 -4.105 -11.393 3.359 402 1HH2 ARG 51 HH11 ARG 51 -6.116 -13.107 5.588 403 2HH2 ARG 51 HH12 ARG 51 -4.810 -13.216 4.455 404 H ALA 52 HN ALA 52 -4.234 -5.003 3.343 405 HA ALA 52 HA ALA 52 -1.451 -5.106 2.713 406 1HB ALA 52 HB2 ALA 52 -3.748 -3.375 1.833 407 2HB ALA 52 HB1 ALA 52 -2.107 -2.973 1.329 408 3HB ALA 52 HB3 ALA 52 -2.807 -4.532 0.893 409 H ALA 53 HN ALA 53 -3.229 -3.156 4.973 410 HA ALA 53 HA ALA 53 -1.370 -0.944 5.085 411 1HB ALA 53 HB2 ALA 53 -3.720 -1.887 6.616 412 2HB ALA 53 HB1 ALA 53 -2.536 -0.977 7.554 413 3HB ALA 53 HB3 ALA 53 -3.278 -0.250 6.129 414 H THR 54 HN THR 54 -1.844 -3.888 7.066 415 HA THR 54 HA THR 54 0.331 -3.405 8.853 416 HB THR 54 HB THR 54 -1.215 -5.815 7.988 417 HG1 THR 54 HG1 THR 54 -1.537 -4.218 9.830 418 1HG2 THR 54 HG23 THR 54 1.494 -5.846 9.313 419 2HG2 THR 54 HG22 THR 54 0.321 -7.134 9.590 420 3HG2 THR 54 HG21 THR 54 0.923 -6.825 7.961 421 H VAL 55 HN VAL 55 0.188 -5.268 5.807 422 HA VAL 55 HA VAL 55 2.964 -5.956 5.750 423 HB VAL 55 HB VAL 55 0.941 -5.594 3.519 424 1HG1 VAL 55 HG11 VAL 55 3.767 -6.693 3.459 425 2HG1 VAL 55 HG13 VAL 55 2.596 -6.906 2.157 426 3HG1 VAL 55 HG12 VAL 55 3.161 -5.289 2.580 427 1HG2 VAL 55 HG21 VAL 55 0.698 -7.441 5.300 428 2HG2 VAL 55 HG23 VAL 55 0.706 -7.961 3.615 429 3HG2 VAL 55 HG22 VAL 55 2.157 -8.144 4.601 430 H LEU 56 HN LEU 56 1.244 -3.012 4.982 431 HA LEU 56 HA LEU 56 3.342 -1.804 3.395 432 1HB LEU 56 HB2 LEU 56 0.713 -1.092 4.338 433 2HB LEU 56 HB1 LEU 56 1.837 0.218 4.703 434 HG LEU 56 HG LEU 56 2.666 -0.130 2.255 435 1HD1 LEU 56 HD12 LEU 56 1.266 -2.260 2.055 436 2HD1 LEU 56 HD11 LEU 56 -0.147 -1.208 1.976 437 3HD1 LEU 56 HD13 LEU 56 1.101 -1.104 0.734 438 1HD2 LEU 56 HD21 LEU 56 0.030 1.110 3.067 439 2HD2 LEU 56 HD23 LEU 56 1.581 1.913 2.825 440 3HD2 LEU 56 HD22 LEU 56 0.683 1.295 1.439 441 NH1 ARG 57 NH2 ARG 57 5.666 0.981 12.149 442 NH2 ARG 57 NH1 ARG 57 4.357 2.817 12.247 443 H ARG 57 HN ARG 57 2.583 -2.002 6.823 444 HA ARG 57 HA ARG 57 4.418 0.025 7.711 445 1HB ARG 57 HB2 ARG 57 2.575 -0.980 9.108 446 2HB ARG 57 HB1 ARG 57 3.532 -2.458 9.214 447 1HG ARG 57 HG2 ARG 57 5.210 -1.435 10.494 448 2HG ARG 57 HG1 ARG 57 4.755 0.187 9.970 449 1HD ARG 57 HD2 ARG 57 2.487 -0.971 11.237 450 2HD ARG 57 HD1 ARG 57 3.869 -1.252 12.291 451 HE ARG 57 HE ARG 57 2.521 1.232 11.941 452 1HH1 ARG 57 HH21 ARG 57 5.778 -0.006 12.078 453 2HH1 ARG 57 HH22 ARG 57 6.471 1.561 12.285 454 1HH2 ARG 57 HH11 ARG 57 3.450 3.240 12.242 455 2HH2 ARG 57 HH12 ARG 57 5.171 3.380 12.390 456 H GLN 58 HN GLN 58 4.701 -3.488 7.205 457 HA GLN 58 HA GLN 58 7.438 -3.642 8.124 458 1HB GLN 58 HB2 GLN 58 5.482 -5.429 6.870 459 2HB GLN 58 HB1 GLN 58 7.130 -5.715 6.310 460 1HG GLN 58 HG2 GLN 58 6.631 -7.064 8.318 461 2HG GLN 58 HG1 GLN 58 7.902 -5.884 8.645 462 1HE2 GLN 58 HE22 GLN 58 4.267 -5.507 10.486 463 2HE2 GLN 58 HE21 GLN 58 4.465 -6.613 9.215 464 H PHE 59 HN PHE 59 5.913 -2.862 5.063 465 HA PHE 59 HA PHE 59 8.452 -2.966 3.585 466 1HB PHE 59 HB2 PHE 59 6.858 -3.443 2.032 467 2HB PHE 59 HB1 PHE 59 5.586 -2.656 2.959 468 HD1 PHE 59 HD2 PHE 59 5.192 -0.216 2.748 469 HD2 PHE 59 HD1 PHE 59 8.134 -2.240 0.356 470 HE1 PHE 59 HE2 PHE 59 5.298 1.732 1.224 471 HE2 PHE 59 HE1 PHE 59 8.235 -0.289 -1.165 472 HZ PHE 59 HZ PHE 59 6.818 1.697 -0.732 473 OH TYR 60 OH TYR 60 8.372 5.807 9.596 474 H TYR 60 HN TYR 60 6.885 -0.704 5.607 475 HA TYR 60 HA TYR 60 7.980 1.657 4.223 476 1HB TYR 60 HB2 TYR 60 6.000 2.341 5.129 477 2HB TYR 60 HB1 TYR 60 6.045 1.123 6.398 478 HD1 TYR 60 HD1 TYR 60 8.107 4.110 5.375 479 HD2 TYR 60 HD2 TYR 60 6.199 1.940 8.554 480 HE1 TYR 60 HE1 TYR 60 8.855 5.827 6.997 481 HE2 TYR 60 HE2 TYR 60 6.953 3.654 10.176 482 HH TYR 60 HH TYR 60 9.331 5.854 9.556 483 H SER 61 HN SER 61 8.235 0.345 7.554 484 HA SER 61 HA SER 61 10.506 1.969 8.214 485 1HB SER 61 HB2 SER 61 9.103 1.047 9.966 486 2HB SER 61 HB1 SER 61 9.476 -0.597 9.451 487 HG SER 61 HG SER 61 11.036 1.270 10.823 488 H HIS 62 HN HIS 62 10.264 -1.051 6.491 489 HA HIS 62 HA HIS 62 13.094 -1.708 6.994 490 1HB HIS 62 HB2 HIS 62 10.966 -3.296 6.503 491 2HB HIS 62 HB1 HIS 62 11.595 -3.133 4.863 492 HD1 HIS 62 HD1 HIS 62 14.633 -2.802 6.107 493 HD2 HIS 62 HD2 HIS 62 11.999 -5.998 6.585 494 HE1 HIS 62 HE1 HIS 62 16.052 -4.818 6.691 495 H HIS 63 HN HIS 63 11.110 -0.878 4.118 496 HA HIS 63 HA HIS 63 13.281 -0.742 2.290 497 1HB HIS 63 HB2 HIS 63 10.566 0.550 2.383 498 2HB HIS 63 HB1 HIS 63 11.709 0.986 1.115 499 HD1 HIS 63 HD1 HIS 63 10.554 -0.219 -0.821 500 HD2 HIS 63 HD2 HIS 63 11.336 -2.733 2.411 501 HE1 HIS 63 HE1 HIS 63 10.091 -2.577 -1.620 502 H GLU 64 HN GLU 64 12.062 1.621 4.612 503 HA GLU 64 HA GLU 64 13.656 3.817 3.586 504 1HB GLU 64 HB2 GLU 64 11.641 4.208 4.955 505 2HB GLU 64 HB1 GLU 64 12.419 3.414 6.326 506 1HG GLU 64 HG2 GLU 64 14.227 5.384 5.334 507 2HG GLU 64 HG1 GLU 64 12.645 6.148 5.501 508 H LYS 65 HN LYS 65 14.185 1.222 5.894 509 HA LYS 65 HA LYS 65 16.892 2.362 6.457 510 1HB LYS 65 HB2 LYS 65 14.922 1.430 8.224 511 2HB LYS 65 HB1 LYS 65 16.124 0.139 8.167 512 1HG LYS 65 HG2 LYS 65 17.006 1.521 9.830 513 2HG LYS 65 HG1 LYS 65 17.844 2.118 8.397 514 1HD LYS 65 HD2 LYS 65 15.918 3.795 8.159 515 2HD LYS 65 HD1 LYS 65 15.457 3.334 9.798 516 1HE LYS 65 HE2 LYS 65 16.930 4.900 10.497 517 2HE LYS 65 HE1 LYS 65 18.190 3.766 10.009 518 1HZ LYS 65 HZ1 LYS 65 17.007 5.460 7.942 519 2HZ LYS 65 HZ3 LYS 65 18.068 6.195 9.042 520 3HZ LYS 65 HZ2 LYS 65 18.599 4.888 8.097 521 H ASP 66 HN ASP 66 16.358 0.947 4.033 522 HA ASP 66 HA ASP 66 17.846 -1.602 4.536 523 1HB ASP 66 HB2 ASP 66 15.575 -0.925 2.733 524 2HB ASP 66 HB1 ASP 66 16.800 -2.019 2.090 525 H THR 67 HN THR 67 19.822 -1.747 3.575 526 HA THR 67 HA THR 67 20.828 0.522 2.042 527 HB THR 67 HB THR 67 22.316 -2.069 2.291 528 HG1 THR 67 HG1 THR 67 22.870 -0.678 4.405 529 1HG2 THR 67 HG23 THR 67 23.183 0.036 1.137 530 2HG2 THR 67 HG22 THR 67 23.223 0.779 2.736 531 3HG2 THR 67 HG21 THR 67 24.220 -0.636 2.395 532 NH1 ARG 68 NH2 ARG 68 20.709 -4.909 3.617 533 NH2 ARG 68 NH1 ARG 68 22.837 -5.083 2.881 534 H ARG 68 HN ARG 68 19.423 -2.568 1.287 535 HA ARG 68 HA ARG 68 20.587 -3.077 -1.246 536 1HB ARG 68 HB2 ARG 68 17.981 -3.763 0.061 537 2HB ARG 68 HB1 ARG 68 18.161 -4.068 -1.667 538 1HG ARG 68 HG2 ARG 68 18.960 -6.069 -0.804 539 2HG ARG 68 HG1 ARG 68 20.459 -5.144 -0.910 540 1HD ARG 68 HD2 ARG 68 19.185 -4.520 1.577 541 2HD ARG 68 HD1 ARG 68 19.265 -6.273 1.418 542 HE ARG 68 HE ARG 68 21.796 -5.435 0.689 543 1HH1 ARG 68 HH21 ARG 68 19.725 -4.915 3.452 544 2HH1 ARG 68 HH22 ARG 68 21.053 -4.756 4.544 545 1HH2 ARG 68 HH11 ARG 68 23.490 -5.226 2.138 546 2HH2 ARG 68 HH12 ARG 68 23.164 -4.929 3.813 547 H CYS 69 HN CYS 69 17.738 -1.093 -0.404 548 HA CYS 69 HA CYS 69 17.446 -0.274 -3.220 549 1HB CYS 69 HB2 CYS 69 15.613 -0.626 -1.264 550 2HB CYS 69 HB1 CYS 69 15.895 1.107 -1.100 551 H LEU 70 HN LEU 70 19.118 0.868 -0.423 552 HA LEU 70 HA LEU 70 19.029 3.663 -0.749 553 1HB LEU 70 HB2 LEU 70 20.874 1.722 0.464 554 2HB LEU 70 HB1 LEU 70 21.662 3.205 -0.075 555 HG LEU 70 HG LEU 70 19.148 3.181 1.614 556 1HD1 LEU 70 HD11 LEU 70 22.065 3.178 2.372 557 2HD1 LEU 70 HD13 LEU 70 20.868 3.962 3.405 558 3HD1 LEU 70 HD12 LEU 70 20.744 2.236 3.063 559 1HD2 LEU 70 HD22 LEU 70 20.187 5.185 0.095 560 2HD2 LEU 70 HD21 LEU 70 19.304 5.465 1.596 561 3HD2 LEU 70 HD23 LEU 70 21.068 5.443 1.601 562 H GLY 71 HN GLY 71 21.936 1.883 -1.784 563 1HA GLY 71 HA2 GLY 71 22.499 1.854 -4.241 564 2HA GLY 71 HA1 GLY 71 21.880 3.505 -4.300 565 H ALA 72 HN ALA 72 23.636 4.802 -4.631 566 HA ALA 72 HA ALA 72 25.651 5.035 -2.564 567 1HB ALA 72 HB3 ALA 72 26.354 3.685 -5.171 568 2HB ALA 72 HB2 ALA 72 27.566 4.564 -4.239 569 3HB ALA 72 HB1 ALA 72 26.746 3.172 -3.530 570 H THR 73 HN THR 73 23.813 6.821 -3.796 571 HA THR 73 HA THR 73 25.741 8.713 -5.069 572 HB THR 73 HB THR 73 22.923 8.962 -5.922 573 HG1 THR 73 HG1 THR 73 23.474 7.232 -7.532 574 1HG2 THR 73 HG22 THR 73 25.579 8.893 -7.381 575 2HG2 THR 73 HG21 THR 73 24.032 9.346 -8.096 576 3HG2 THR 73 HG23 THR 73 24.745 10.345 -6.829 577 H ALA 74 HN ALA 74 25.118 10.997 -4.756 578 HA ALA 74 HA ALA 74 23.979 11.407 -2.084 579 1HB ALA 74 HB3 ALA 74 25.991 12.658 -3.128 580 2HB ALA 74 HB2 ALA 74 24.780 13.591 -4.007 581 3HB ALA 74 HB1 ALA 74 24.805 13.617 -2.244 582 H GLN 75 HN GLN 75 22.988 11.827 -5.426 583 HA GLN 75 HA GLN 75 20.659 13.462 -4.726 584 1HB GLN 75 HB2 GLN 75 21.901 12.408 -7.200 585 2HB GLN 75 HB1 GLN 75 20.143 12.557 -7.247 586 1HG GLN 75 HG2 GLN 75 20.440 14.923 -6.350 587 2HG GLN 75 HG1 GLN 75 22.166 14.733 -6.668 588 1HE2 GLN 75 HE22 GLN 75 19.566 15.041 -9.834 589 2HE2 GLN 75 HE21 GLN 75 18.967 14.640 -8.298 590 H GLN 76 HN GLN 76 21.353 10.059 -5.359 591 HA GLN 76 HA GLN 76 18.640 9.176 -5.594 592 1HB GLN 76 HB2 GLN 76 21.209 7.981 -5.574 593 2HB GLN 76 HB1 GLN 76 20.278 7.188 -4.303 594 1HG GLN 76 HG2 GLN 76 18.424 6.833 -5.938 595 2HG GLN 76 HG1 GLN 76 19.451 7.513 -7.201 596 1HE2 GLN 76 HE22 GLN 76 19.779 3.675 -6.769 597 2HE2 GLN 76 HE21 GLN 76 18.386 4.638 -6.647 598 H PHE 77 HN PHE 77 20.660 9.931 -2.825 599 HA PHE 77 HA PHE 77 19.084 8.612 -0.828 600 1HB PHE 77 HB2 PHE 77 21.416 10.137 -0.857 601 2HB PHE 77 HB1 PHE 77 20.281 11.124 0.064 602 HD1 PHE 77 HD2 PHE 77 18.696 9.566 1.676 603 HD2 PHE 77 HD1 PHE 77 22.702 8.672 0.410 604 HE1 PHE 77 HE2 PHE 77 18.982 8.074 3.635 605 HE2 PHE 77 HE1 PHE 77 22.988 7.179 2.370 606 HZ PHE 77 HZ PHE 77 21.128 6.880 3.982 607 H HIS 78 HN HIS 78 19.060 12.012 -1.952 608 HA HIS 78 HA HIS 78 16.874 12.855 -0.340 609 1HB HIS 78 HB2 HIS 78 18.381 14.381 -1.634 610 2HB HIS 78 HB1 HIS 78 17.584 13.851 -3.115 611 HD1 HIS 78 HD1 HIS 78 15.101 14.577 -3.469 612 HD2 HIS 78 HD2 HIS 78 16.845 16.135 -0.018 613 HE1 HIS 78 HE1 HIS 78 13.549 16.400 -2.641 614 NH1 ARG 79 NH2 ARG 79 15.430 13.726 -8.792 615 NH2 ARG 79 NH1 ARG 79 13.346 13.569 -9.650 616 H ARG 79 HN ARG 79 16.968 11.271 -3.504 617 HA ARG 79 HA ARG 79 14.186 11.555 -4.117 618 1HB ARG 79 HB2 ARG 79 16.377 10.475 -5.401 619 2HB ARG 79 HB1 ARG 79 15.422 9.043 -5.015 620 1HG ARG 79 HG2 ARG 79 14.198 9.540 -6.849 621 2HG ARG 79 HG1 ARG 79 13.517 10.858 -5.896 622 1HD ARG 79 HD2 ARG 79 15.512 12.261 -6.657 623 2HD ARG 79 HD1 ARG 79 15.849 10.976 -7.818 624 HE ARG 79 HE ARG 79 13.172 11.574 -8.234 625 1HH1 ARG 79 HH21 ARG 79 16.156 13.386 -8.198 626 2HH1 ARG 79 HH22 ARG 79 15.582 14.548 -9.339 627 1HH2 ARG 79 HH11 ARG 79 12.464 13.100 -9.712 628 2HH2 ARG 79 HH12 ARG 79 13.513 14.393 -10.190 629 H HIS 80 HN HIS 80 15.976 9.230 -2.158 630 HA HIS 80 HA HIS 80 13.785 7.376 -1.825 631 1HB HIS 80 HB2 HIS 80 16.476 7.410 -1.144 632 2HB HIS 80 HB1 HIS 80 15.666 7.526 0.418 633 HD1 HIS 80 HD1 HIS 80 13.524 5.704 0.591 634 HD2 HIS 80 HD2 HIS 80 16.677 4.793 -1.980 635 HE1 HIS 80 HE1 HIS 80 13.395 3.213 0.154 636 H LYS 81 HN LYS 81 14.830 10.299 -0.161 637 HA LYS 81 HA LYS 81 13.292 10.060 2.208 638 1HB LYS 81 HB2 LYS 81 14.921 12.001 1.078 639 2HB LYS 81 HB1 LYS 81 13.337 12.775 1.108 640 1HG LYS 81 HG2 LYS 81 13.230 11.820 3.555 641 2HG LYS 81 HG1 LYS 81 14.985 11.750 3.399 642 1HD LYS 81 HD2 LYS 81 15.068 14.131 2.854 643 2HD LYS 81 HD1 LYS 81 13.307 14.227 2.905 644 1HE LYS 81 HE2 LYS 81 13.780 14.930 5.053 645 2HE LYS 81 HE1 LYS 81 13.689 13.191 5.334 646 1HZ LYS 81 HZ3 LYS 81 16.262 14.293 4.500 647 2HZ LYS 81 HZ2 LYS 81 15.756 14.616 6.089 648 3HZ LYS 81 HZ1 LYS 81 15.924 13.012 5.558 649 H GLN 82 HN GLN 82 12.372 11.102 -1.041 650 HA GLN 82 HA GLN 82 9.699 11.936 -0.215 651 1HB GLN 82 HB2 GLN 82 11.271 11.873 -2.702 652 2HB GLN 82 HB1 GLN 82 9.553 11.547 -2.935 653 1HG GLN 82 HG2 GLN 82 10.105 13.763 -1.076 654 2HG GLN 82 HG1 GLN 82 10.649 14.060 -2.728 655 1HE2 GLN 82 HE22 GLN 82 7.389 14.704 -3.858 656 2HE2 GLN 82 HE21 GLN 82 9.060 14.910 -4.071 657 H LEU 83 HN LEU 83 11.187 8.948 -1.264 658 HA LEU 83 HA LEU 83 8.779 7.619 -2.124 659 1HB LEU 83 HB2 LEU 83 11.398 6.982 -2.267 660 2HB LEU 83 HB1 LEU 83 10.952 6.024 -0.855 661 HG LEU 83 HG LEU 83 9.531 5.940 -3.534 662 1HD1 LEU 83 HD12 LEU 83 11.733 4.331 -2.303 663 2HD1 LEU 83 HD11 LEU 83 10.527 3.483 -3.270 664 3HD1 LEU 83 HD13 LEU 83 11.482 4.779 -3.990 665 1HD2 LEU 83 HD21 LEU 83 9.170 4.455 -0.921 666 2HD2 LEU 83 HD23 LEU 83 7.965 5.383 -1.814 667 3HD2 LEU 83 HD22 LEU 83 8.538 3.841 -2.449 668 H ILE 84 HN ILE 84 10.608 7.421 0.948 669 HA ILE 84 HA ILE 84 8.633 5.838 2.302 670 HB ILE 84 HB ILE 84 10.563 7.763 3.607 671 1HG1 ILE 84 HG12 ILE 84 11.962 6.560 2.122 672 2HG1 ILE 84 HG11 ILE 84 12.058 5.640 3.623 673 1HG2 ILE 84 HG21 ILE 84 8.722 6.417 4.869 674 2HG2 ILE 84 HG23 ILE 84 9.746 5.017 4.546 675 3HG2 ILE 84 HG22 ILE 84 10.370 6.367 5.496 676 1HD1 ILE 84 HD11 ILE 84 10.075 4.269 2.674 677 2HD1 ILE 84 HD13 ILE 84 10.503 4.990 1.122 678 3HD1 ILE 84 HD12 ILE 84 11.672 3.989 1.981 679 NH1 ARG 85 NH2 ARG 85 8.263 15.299 4.275 680 NH2 ARG 85 NH1 ARG 85 7.883 15.248 6.499 681 H ARG 85 HN ARG 85 9.020 9.301 1.846 682 HA ARG 85 HA ARG 85 7.171 10.141 3.872 683 1HB ARG 85 HB2 ARG 85 8.793 11.413 2.016 684 2HB ARG 85 HB1 ARG 85 7.167 11.788 1.448 685 1HG ARG 85 HG2 ARG 85 7.398 13.486 2.978 686 2HG ARG 85 HG1 ARG 85 6.782 12.240 4.058 687 1HD ARG 85 HD2 ARG 85 9.158 11.585 4.545 688 2HD ARG 85 HD1 ARG 85 9.693 12.982 3.617 689 HE ARG 85 HE ARG 85 8.763 12.971 6.345 690 1HH1 ARG 85 HH21 ARG 85 8.605 14.871 3.442 691 2HH1 ARG 85 HH22 ARG 85 7.929 16.242 4.248 692 1HH2 ARG 85 HH11 ARG 85 7.926 14.769 7.376 693 2HH2 ARG 85 HH12 ARG 85 7.564 16.194 6.460 694 H PHE 86 HN PHE 86 6.768 9.203 0.486 695 HA PHE 86 HA PHE 86 3.980 9.866 0.297 696 1HB PHE 86 HB2 PHE 86 5.988 8.698 -1.376 697 2HB PHE 86 HB1 PHE 86 4.573 7.645 -1.394 698 HD1 PHE 86 HD2 PHE 86 2.289 9.327 -1.180 699 HD2 PHE 86 HD1 PHE 86 5.984 10.112 -3.224 700 HE1 PHE 86 HE2 PHE 86 1.125 10.926 -2.673 701 HE2 PHE 86 HE1 PHE 86 4.821 11.709 -4.717 702 HZ PHE 86 HZ PHE 86 2.389 12.120 -4.442 703 H LEU 87 HN LEU 87 5.524 6.643 0.630 704 HA LEU 87 HA LEU 87 3.089 5.270 1.188 705 1HB LEU 87 HB2 LEU 87 4.555 3.468 2.077 706 2HB LEU 87 HB1 LEU 87 5.106 4.070 0.516 707 HG LEU 87 HG LEU 87 6.528 5.716 2.041 708 1HD1 LEU 87 HD13 LEU 87 5.324 4.021 3.949 709 2HD1 LEU 87 HD12 LEU 87 7.006 3.505 3.838 710 3HD1 LEU 87 HD11 LEU 87 6.623 5.182 4.227 711 1HD2 LEU 87 HD23 LEU 87 6.952 3.191 0.736 712 2HD2 LEU 87 HD22 LEU 87 8.098 4.510 0.958 713 3HD2 LEU 87 HD21 LEU 87 7.950 3.255 2.188 714 H LYS 88 HN LYS 88 4.969 7.353 3.204 715 HA LYS 88 HA LYS 88 4.186 6.199 5.743 716 1HB LYS 88 HB2 LYS 88 5.525 8.685 4.813 717 2HB LYS 88 HB1 LYS 88 4.692 8.787 6.366 718 1HG LYS 88 HG2 LYS 88 5.963 6.946 7.258 719 2HG LYS 88 HG1 LYS 88 6.649 6.581 5.674 720 1HD LYS 88 HD2 LYS 88 8.385 7.900 6.261 721 2HD LYS 88 HD1 LYS 88 7.283 9.265 6.065 722 1HE LYS 88 HE2 LYS 88 7.420 7.705 8.647 723 2HE LYS 88 HE1 LYS 88 8.502 9.061 8.328 724 1HZ LYS 88 HZ3 LYS 88 6.251 10.209 7.681 725 2HZ LYS 88 HZ2 LYS 88 5.605 9.048 8.741 726 3HZ LYS 88 HZ1 LYS 88 6.775 10.150 9.293 727 NH1 ARG 89 NH2 ARG 89 -1.015 14.096 0.782 728 NH2 ARG 89 NH1 ARG 89 0.699 13.365 -0.495 729 H ARG 89 HN ARG 89 3.019 9.021 3.876 730 HA ARG 89 HA ARG 89 0.823 9.567 5.656 731 1HB ARG 89 HB2 ARG 89 1.157 11.392 4.299 732 2HB ARG 89 HB1 ARG 89 1.648 10.406 2.922 733 1HG ARG 89 HG2 ARG 89 -0.591 9.895 2.341 734 2HG ARG 89 HG1 ARG 89 -1.203 10.416 3.911 735 1HD ARG 89 HD2 ARG 89 -1.731 12.158 2.334 736 2HD ARG 89 HD1 ARG 89 -0.410 12.750 3.341 737 HE ARG 89 HE ARG 89 0.873 11.582 1.181 738 1HH1 ARG 89 HH21 ARG 89 -1.607 14.007 1.581 739 2HH1 ARG 89 HH22 ARG 89 -1.153 14.853 0.145 740 1HH2 ARG 89 HH11 ARG 89 1.430 12.708 -0.677 741 2HH2 ARG 89 HH12 ARG 89 0.548 14.129 -1.122 742 H LEU 90 HN LEU 90 1.219 7.503 2.831 743 HA LEU 90 HA LEU 90 -1.608 6.819 2.668 744 1HB LEU 90 HB2 LEU 90 -0.050 6.782 0.702 745 2HB LEU 90 HB1 LEU 90 0.754 5.388 1.426 746 HG LEU 90 HG LEU 90 -2.057 4.889 1.466 747 1HD1 LEU 90 HD13 LEU 90 -0.957 5.884 -1.175 748 2HD1 LEU 90 HD12 LEU 90 -2.392 4.867 -1.053 749 3HD1 LEU 90 HD11 LEU 90 -2.382 6.470 -0.317 750 1HD2 LEU 90 HD21 LEU 90 -0.169 3.244 1.364 751 2HD2 LEU 90 HD23 LEU 90 -1.402 2.949 0.138 752 3HD2 LEU 90 HD22 LEU 90 0.116 3.729 -0.306 753 H ASP 91 HN ASP 91 0.934 5.813 4.725 754 HA ASP 91 HA ASP 91 0.215 3.040 4.996 755 1HB ASP 91 HB2 ASP 91 2.373 3.880 5.819 756 2HB ASP 91 HB1 ASP 91 1.544 4.919 6.980 757 NH1 ARG 92 NH2 ARG 92 -6.278 7.012 11.284 758 NH2 ARG 92 NH1 ARG 92 -5.397 9.006 11.875 759 H ARG 92 HN ARG 92 -0.730 5.974 6.806 760 HA ARG 92 HA ARG 92 -2.687 4.395 8.357 761 1HB ARG 92 HB2 ARG 92 -1.224 6.798 8.787 762 2HB ARG 92 HB1 ARG 92 -2.938 7.205 8.829 763 1HG ARG 92 HG2 ARG 92 -2.065 4.741 10.274 764 2HG ARG 92 HG1 ARG 92 -1.668 6.300 10.998 765 1HD ARG 92 HD2 ARG 92 -4.459 5.678 10.027 766 2HD ARG 92 HD1 ARG 92 -3.930 5.246 11.653 767 HE ARG 92 HE ARG 92 -3.245 7.918 11.428 768 1HH1 ARG 92 HH21 ARG 92 -6.171 6.067 10.980 769 2HH1 ARG 92 HH22 ARG 92 -7.193 7.380 11.444 770 1HH2 ARG 92 HH11 ARG 92 -4.603 9.597 12.024 771 2HH2 ARG 92 HH12 ARG 92 -6.319 9.360 12.030 772 H ASN 93 HN ASN 93 -2.664 6.673 5.667 773 HA ASN 93 HA ASN 93 -5.529 7.207 5.825 774 1HB ASN 93 HB2 ASN 93 -3.293 8.158 4.284 775 2HB ASN 93 HB1 ASN 93 -4.611 7.721 3.199 776 1HD2 ASN 93 HD22 ASN 93 -5.461 10.548 6.075 777 2HD2 ASN 93 HD21 ASN 93 -4.424 9.264 6.467 778 H LEU 94 HN LEU 94 -3.533 4.800 4.248 779 HA LEU 94 HA LEU 94 -5.391 3.955 2.252 780 1HB LEU 94 HB2 LEU 94 -3.123 3.156 2.139 781 2HB LEU 94 HB1 LEU 94 -3.234 2.444 3.749 782 HG LEU 94 HG LEU 94 -5.286 1.541 1.815 783 1HD1 LEU 94 HD13 LEU 94 -2.461 1.503 1.146 784 2HD1 LEU 94 HD12 LEU 94 -3.089 -0.138 1.307 785 3HD1 LEU 94 HD11 LEU 94 -3.841 0.986 0.175 786 1HD2 LEU 94 HD23 LEU 94 -3.665 0.501 4.093 787 2HD2 LEU 94 HD22 LEU 94 -5.386 0.307 3.758 788 3HD2 LEU 94 HD21 LEU 94 -4.203 -0.673 2.893 789 CH2 TRP 95 CH2 TRP 95 -5.718 1.815 12.037 790 H TRP 95 HN TRP 95 -4.707 2.378 5.389 791 HA TRP 95 HA TRP 95 -7.276 0.966 5.267 792 1HB TRP 95 HB2 TRP 95 -5.794 -0.440 6.270 793 2HB TRP 95 HB1 TRP 95 -4.807 0.876 6.891 794 HD1 TRP 95 HD1 TRP 95 -8.118 -0.952 7.663 795 HE1 TRP 95 HE1 TRP 95 -8.592 -0.703 10.189 796 HE3 TRP 95 HE3 TRP 95 -4.289 2.123 8.958 797 HZ2 TRP 95 HZ2 TRP 95 -7.471 0.646 12.464 798 HZ3 TRP 95 HZ3 TRP 95 -4.000 2.887 11.303 799 HH2 TRP 95 HH2 TRP 95 -5.592 2.146 13.057 800 H GLY 96 HN GLY 96 -6.214 3.995 6.418 801 1HA GLY 96 HA2 GLY 96 -7.657 4.392 8.795 802 2HA GLY 96 HA1 GLY 96 -7.359 5.662 7.609 803 H LEU 97 HN LEU 97 -8.829 4.239 5.470 804 HA LEU 97 HA LEU 97 -11.459 5.297 5.984 805 1HB LEU 97 HB2 LEU 97 -10.827 5.178 3.698 806 2HB LEU 97 HB1 LEU 97 -10.320 3.494 3.844 807 HG LEU 97 HG LEU 97 -13.150 4.040 4.539 808 1HD1 LEU 97 HD12 LEU 97 -11.965 4.643 1.867 809 2HD1 LEU 97 HD11 LEU 97 -13.508 3.788 1.900 810 3HD1 LEU 97 HD13 LEU 97 -13.359 5.370 2.667 811 1HD2 LEU 97 HD22 LEU 97 -11.475 1.853 3.815 812 2HD2 LEU 97 HD21 LEU 97 -13.187 1.807 4.234 813 3HD2 LEU 97 HD23 LEU 97 -12.696 2.012 2.553 814 H ALA 98 HN ALA 98 -10.087 2.038 6.039 815 HA ALA 98 HA ALA 98 -12.325 0.434 6.396 816 1HB ALA 98 HB1 ALA 98 -9.558 0.162 6.758 817 2HB ALA 98 HB3 ALA 98 -10.255 -0.265 8.320 818 3HB ALA 98 HB2 ALA 98 -10.757 -1.127 6.866 819 H GLY 99 HN GLY 99 -10.559 2.181 8.953 820 1HA GLY 99 HA2 GLY 99 -11.336 3.027 11.004 821 2HA GLY 99 HA1 GLY 99 -12.977 2.784 10.406 822 H LEU 100 HN LEU 100 -10.709 0.121 10.501 823 HA LEU 100 HA LEU 100 -12.333 -1.054 12.719 824 1HB LEU 100 HB2 LEU 100 -11.049 -2.223 10.270 825 2HB LEU 100 HB1 LEU 100 -11.245 -3.240 11.697 826 HG LEU 100 HG LEU 100 -13.485 -1.682 10.374 827 1HD1 LEU 100 HD13 LEU 100 -12.551 -4.540 10.140 828 2HD1 LEU 100 HD12 LEU 100 -14.240 -4.114 9.862 829 3HD1 LEU 100 HD11 LEU 100 -12.976 -3.411 8.853 830 1HD2 LEU 100 HD23 LEU 100 -13.199 -2.929 12.944 831 2HD2 LEU 100 HD22 LEU 100 -14.618 -2.128 12.269 832 3HD2 LEU 100 HD21 LEU 100 -14.367 -3.852 11.998 833 H ASN 101 HN ASN 101 -10.735 -3.056 13.596 834 HA ASN 101 HA ASN 101 -8.504 -1.558 14.817 835 1HB ASN 101 HB2 ASN 101 -8.678 -3.033 16.549 836 2HB ASN 101 HB1 ASN 101 -10.245 -3.407 15.833 837 1HD2 ASN 101 HD22 ASN 101 -7.545 -6.318 16.036 838 2HD2 ASN 101 HD21 ASN 101 -7.498 -4.900 16.966 839 H SER 102 HN SER 102 -6.418 -3.005 15.115 840 HA SER 102 HA SER 102 -5.177 -3.312 12.605 841 1HB SER 102 HB2 SER 102 -3.456 -4.642 13.838 842 2HB SER 102 HB1 SER 102 -3.874 -3.141 14.658 843 HG SER 102 HG SER 102 -4.591 -5.797 15.274 844 H CYS 103 HN CYS 103 -4.203 -5.553 11.894 845 HA CYS 103 HA CYS 103 -5.995 -7.838 12.331 846 1HB CYS 103 HB2 CYS 103 -5.995 -7.814 9.586 847 2HB CYS 103 HB1 CYS 103 -7.339 -7.274 10.591 848 HA PRO 104 HA PRO 104 -1.515 -8.792 11.787 849 1HB PRO 104 HB2 PRO 104 -2.246 -11.290 13.101 850 2HB PRO 104 HB1 PRO 104 -1.126 -10.035 13.651 851 1HG PRO 104 HG2 PRO 104 -3.744 -10.562 14.672 852 2HG PRO 104 HG1 PRO 104 -2.677 -9.221 15.112 853 1HD PRO 104 HD2 PRO 104 -5.114 -9.107 13.575 854 2HD PRO 104 HD1 PRO 104 -4.040 -7.763 14.015 855 H VAL 105 HN VAL 105 -1.467 -9.214 9.602 856 HA VAL 105 HA VAL 105 -3.100 -10.826 8.040 857 HB VAL 105 HB VAL 105 -0.194 -10.101 7.854 858 1HG1 VAL 105 HG12 VAL 105 -1.689 -12.079 6.123 859 2HG1 VAL 105 HG11 VAL 105 -0.271 -11.204 5.546 860 3HG1 VAL 105 HG13 VAL 105 -0.133 -12.298 6.923 861 1HG2 VAL 105 HG22 VAL 105 -2.762 -9.192 6.820 862 2HG2 VAL 105 HG21 VAL 105 -1.207 -8.361 6.829 863 3HG2 VAL 105 HG23 VAL 105 -1.604 -9.473 5.520 864 H LYS 106 HN LYS 106 -3.643 -12.927 8.268 865 HA LYS 106 HA LYS 106 -1.763 -14.764 9.648 866 1HB LYS 106 HB2 LYS 106 -4.473 -15.639 8.731 867 2HB LYS 106 HB1 LYS 106 -3.602 -16.050 10.210 868 1HG LYS 106 HG2 LYS 106 -3.929 -13.633 10.934 869 2HG LYS 106 HG1 LYS 106 -5.036 -13.460 9.572 870 1HD LYS 106 HD2 LYS 106 -6.353 -15.395 10.465 871 2HD LYS 106 HD1 LYS 106 -5.303 -15.403 11.883 872 1HE LYS 106 HE2 LYS 106 -6.257 -13.527 12.763 873 2HE LYS 106 HE1 LYS 106 -6.452 -12.766 11.185 874 1HZ LYS 106 HZ1 LYS 106 -8.087 -15.114 11.807 875 2HZ LYS 106 HZ3 LYS 106 -8.504 -13.639 12.530 876 3HZ LYS 106 HZ2 LYS 106 -8.450 -13.768 10.837 877 H GLU 107 HN GLU 107 -3.948 -15.001 6.813 878 HA GLU 107 HA GLU 107 -2.244 -17.084 5.649 879 1HB GLU 107 HB2 GLU 107 -4.648 -17.250 5.320 880 2HB GLU 107 HB1 GLU 107 -4.696 -15.642 4.597 881 1HG GLU 107 HG2 GLU 107 -4.009 -16.412 2.583 882 2HG GLU 107 HG1 GLU 107 -2.751 -17.416 3.307 883 H ALA 108 HN ALA 108 -0.299 -16.318 4.895 884 HA ALA 108 HA ALA 108 -0.242 -14.653 2.550 885 1HB ALA 108 HB2 ALA 108 -0.685 -12.905 4.290 886 2HB ALA 108 HB1 ALA 108 0.821 -13.368 5.084 887 3HB ALA 108 HB3 ALA 108 0.855 -12.677 3.462 888 H ASP 109 HN ASP 109 1.599 -15.204 1.466 889 HA ASP 109 HA ASP 109 3.834 -16.389 3.068 890 1HB ASP 109 HB2 ASP 109 2.325 -17.511 0.942 891 2HB ASP 109 HB1 ASP 109 3.926 -17.153 0.291 892 H GLN 110 HN GLN 110 5.907 -16.347 1.433 893 HA GLN 110 HA GLN 110 6.550 -13.546 1.163 894 1HB GLN 110 HB2 GLN 110 7.986 -15.969 1.193 895 2HB GLN 110 HB1 GLN 110 8.297 -15.258 -0.390 896 1HG GLN 110 HG2 GLN 110 9.841 -13.982 0.657 897 2HG GLN 110 HG1 GLN 110 8.476 -13.080 1.315 898 1HE2 GLN 110 HE22 GLN 110 9.494 -13.960 4.567 899 2HE2 GLN 110 HE21 GLN 110 8.978 -12.745 3.499 900 H SER 111 HN SER 111 5.382 -12.437 -0.354 901 HA SER 111 HA SER 111 5.158 -13.617 -3.085 902 1HB SER 111 HB2 SER 111 3.135 -12.588 -3.251 903 2HB SER 111 HB1 SER 111 3.242 -12.409 -1.502 904 HG SER 111 HG SER 111 3.346 -10.530 -3.440 905 H THR 112 HN THR 112 5.033 -11.483 -4.700 906 HA THR 112 HA THR 112 7.645 -10.117 -4.217 907 HB THR 112 HB THR 112 7.695 -9.765 -6.665 908 HG1 THR 112 HG1 THR 112 6.069 -10.792 -7.898 909 1HG2 THR 112 HG23 THR 112 8.616 -11.847 -5.627 910 2HG2 THR 112 HG22 THR 112 7.076 -12.643 -5.950 911 3HG2 THR 112 HG21 THR 112 8.078 -12.081 -7.289 912 H LEU 113 HN LEU 113 7.695 -7.886 -4.123 913 HA LEU 113 HA LEU 113 5.244 -6.470 -3.662 914 1HB LEU 113 HB2 LEU 113 7.566 -5.878 -2.780 915 2HB LEU 113 HB1 LEU 113 7.888 -5.191 -4.372 916 HG LEU 113 HG LEU 113 5.874 -3.734 -4.109 917 1HD1 LEU 113 HD11 LEU 113 5.839 -5.047 -1.382 918 2HD1 LEU 113 HD13 LEU 113 5.021 -3.521 -1.715 919 3HD1 LEU 113 HD12 LEU 113 4.533 -4.987 -2.565 920 1HD2 LEU 113 HD21 LEU 113 8.260 -3.646 -2.328 921 2HD2 LEU 113 HD23 LEU 113 7.713 -2.479 -3.531 922 3HD2 LEU 113 HD22 LEU 113 6.946 -2.534 -1.944 923 H GLU 114 HN GLU 114 6.869 -7.277 -6.599 924 HA GLU 114 HA GLU 114 5.910 -5.002 -8.125 925 1HB GLU 114 HB2 GLU 114 6.240 -6.770 -10.105 926 2HB GLU 114 HB1 GLU 114 7.603 -5.945 -9.361 927 1HG GLU 114 HG2 GLU 114 8.159 -7.848 -8.037 928 2HG GLU 114 HG1 GLU 114 6.622 -8.633 -8.383 929 H ASN 115 HN ASN 115 4.784 -8.393 -7.922 930 HA ASN 115 HA ASN 115 2.367 -7.844 -9.419 931 1HB ASN 115 HB2 ASN 115 3.674 -10.138 -8.447 932 2HB ASN 115 HB1 ASN 115 2.129 -10.093 -7.598 933 1HD2 ASN 115 HD22 ASN 115 0.194 -10.719 -10.514 934 2HD2 ASN 115 HD21 ASN 115 0.155 -10.228 -8.889 935 H PHE 116 HN PHE 116 3.336 -7.465 -6.094 936 HA PHE 116 HA PHE 116 0.747 -7.515 -4.869 937 1HB PHE 116 HB2 PHE 116 2.835 -7.587 -3.558 938 2HB PHE 116 HB1 PHE 116 3.241 -5.960 -4.103 939 HD1 PHE 116 HD1 PHE 116 0.696 -7.927 -2.220 940 HD2 PHE 116 HD2 PHE 116 2.358 -4.047 -3.017 941 HE1 PHE 116 HE1 PHE 116 -0.649 -6.972 -0.369 942 HE2 PHE 116 HE2 PHE 116 1.012 -3.092 -1.165 943 HZ PHE 116 HZ PHE 116 -0.492 -4.554 0.158 944 H LEU 117 HN LEU 117 2.744 -4.794 -6.064 945 HA LEU 117 HA LEU 117 0.767 -2.781 -5.618 946 1HB LEU 117 HB2 LEU 117 3.259 -3.016 -7.236 947 2HB LEU 117 HB1 LEU 117 2.129 -1.740 -7.691 948 HG LEU 117 HG LEU 117 2.414 -1.838 -4.817 949 1HD1 LEU 117 HD12 LEU 117 4.712 -2.732 -5.829 950 2HD1 LEU 117 HD11 LEU 117 4.976 -1.014 -6.117 951 3HD1 LEU 117 HD13 LEU 117 4.688 -1.598 -4.478 952 1HD2 LEU 117 HD22 LEU 117 1.715 0.025 -6.542 953 2HD2 LEU 117 HD21 LEU 117 2.573 0.480 -5.070 954 3HD2 LEU 117 HD23 LEU 117 3.447 0.353 -6.597 955 H GLU 118 HN GLU 118 1.321 -5.062 -8.240 956 HA GLU 118 HA GLU 118 -0.329 -3.932 -10.240 957 1HB GLU 118 HB2 GLU 118 1.121 -5.983 -10.475 958 2HB GLU 118 HB1 GLU 118 -0.101 -6.881 -9.576 959 1HG GLU 118 HG2 GLU 118 -0.662 -7.270 -11.836 960 2HG GLU 118 HG1 GLU 118 -1.769 -5.988 -11.339 961 NH1 ARG 119 NH2 ARG 119 -4.393 -8.921 -11.559 962 NH2 ARG 119 NH1 ARG 119 -3.655 -11.056 -11.532 963 H ARG 119 HN ARG 119 -1.274 -6.456 -7.897 964 HA ARG 119 HA ARG 119 -4.101 -6.129 -8.389 965 1HB ARG 119 HB2 ARG 119 -2.849 -7.307 -5.902 966 2HB ARG 119 HB1 ARG 119 -4.413 -7.696 -6.617 967 1HG ARG 119 HG2 ARG 119 -1.661 -8.412 -7.620 968 2HG ARG 119 HG1 ARG 119 -3.033 -9.478 -7.314 969 1HD ARG 119 HD2 ARG 119 -4.194 -7.981 -9.165 970 2HD ARG 119 HD1 ARG 119 -2.527 -7.662 -9.643 971 HE ARG 119 HE ARG 119 -2.627 -10.417 -9.398 972 1HH1 ARG 119 HH21 ARG 119 -4.458 -8.015 -11.146 973 2HH1 ARG 119 HH22 ARG 119 -4.844 -9.099 -12.434 974 1HH2 ARG 119 HH11 ARG 119 -3.145 -11.794 -11.089 975 2HH2 ARG 119 HH12 ARG 119 -4.111 -11.218 -12.407 976 H LEU 120 HN LEU 120 -1.891 -4.206 -6.625 977 HA LEU 120 HA LEU 120 -3.718 -3.370 -4.529 978 1HB LEU 120 HB2 LEU 120 -1.031 -3.114 -4.883 979 2HB LEU 120 HB1 LEU 120 -1.572 -1.509 -5.374 980 HG LEU 120 HG LEU 120 -2.577 -2.779 -2.831 981 1HD1 LEU 120 HD12 LEU 120 0.080 -2.425 -3.192 982 2HD1 LEU 120 HD11 LEU 120 -0.367 -0.795 -2.685 983 3HD1 LEU 120 HD13 LEU 120 -0.715 -2.172 -1.638 984 1HD2 LEU 120 HD23 LEU 120 -2.256 0.080 -3.802 985 2HD2 LEU 120 HD22 LEU 120 -3.773 -0.813 -3.684 986 3HD2 LEU 120 HD21 LEU 120 -2.887 -0.384 -2.221 987 H LYS 121 HN LYS 121 -2.784 -2.133 -7.726 988 HA LYS 121 HA LYS 121 -4.506 0.216 -7.506 989 1HB LYS 121 HB2 LYS 121 -2.386 -0.152 -9.015 990 2HB LYS 121 HB1 LYS 121 -3.535 -0.909 -10.120 991 1HG LYS 121 HG2 LYS 121 -4.859 1.102 -10.242 992 2HG LYS 121 HG1 LYS 121 -3.925 1.859 -8.952 993 1HD LYS 121 HD2 LYS 121 -3.105 2.762 -11.023 994 2HD LYS 121 HD1 LYS 121 -1.883 1.633 -10.440 995 1HE LYS 121 HE2 LYS 121 -2.362 0.054 -12.069 996 2HE LYS 121 HE1 LYS 121 -4.030 0.598 -12.253 997 1HZ LYS 121 HZ2 LYS 121 -3.009 2.723 -13.159 998 2HZ LYS 121 HZ1 LYS 121 -1.563 1.843 -13.305 999 3HZ LYS 121 HZ3 LYS 121 -2.945 1.350 -14.157 1000 H THR 122 HN THR 122 -4.593 -2.805 -9.359 1001 HA THR 122 HA THR 122 -7.088 -2.473 -10.612 1002 HB THR 122 HB THR 122 -7.024 -5.184 -9.911 1003 HG1 THR 122 HG1 THR 122 -4.577 -5.210 -10.689 1004 1HG2 THR 122 HG23 THR 122 -5.790 -3.713 -12.253 1005 2HG2 THR 122 HG22 THR 122 -6.124 -5.445 -12.216 1006 3HG2 THR 122 HG21 THR 122 -7.454 -4.288 -12.141 1007 H ILE 123 HN ILE 123 -6.448 -4.009 -7.469 1008 HA ILE 123 HA ILE 123 -9.194 -4.453 -6.807 1009 HB ILE 123 HB ILE 123 -6.744 -4.161 -5.056 1010 1HG1 ILE 123 HG12 ILE 123 -6.703 -6.081 -6.597 1011 2HG1 ILE 123 HG11 ILE 123 -6.919 -6.630 -4.935 1012 1HG2 ILE 123 HG21 ILE 123 -9.603 -4.455 -4.401 1013 2HG2 ILE 123 HG23 ILE 123 -8.555 -5.643 -3.627 1014 3HG2 ILE 123 HG22 ILE 123 -8.264 -3.921 -3.386 1015 1HD1 ILE 123 HD11 ILE 123 -9.433 -6.614 -5.398 1016 2HD1 ILE 123 HD13 ILE 123 -9.019 -6.411 -7.100 1017 3HD1 ILE 123 HD12 ILE 123 -8.503 -7.856 -6.234 1018 H MET 124 HN MET 124 -7.036 -1.708 -6.148 1019 HA MET 124 HA MET 124 -8.821 -0.347 -4.369 1020 1HB MET 124 HB2 MET 124 -6.568 0.590 -6.133 1021 2HB MET 124 HB1 MET 124 -7.503 1.715 -5.144 1022 1HG MET 124 HG2 MET 124 -6.602 -0.717 -3.730 1023 2HG MET 124 HG1 MET 124 -5.306 0.362 -4.245 1024 1HE MET 124 HE3 MET 124 -5.555 2.634 -4.331 1025 2HE MET 124 HE2 MET 124 -6.701 3.661 -3.481 1026 3HE MET 124 HE1 MET 124 -5.178 3.227 -2.709 1027 NH1 ARG 125 NH2 ARG 125 -11.274 0.854 -14.781 1028 NH2 ARG 125 NH1 ARG 125 -12.739 -0.726 -14.099 1029 H ARG 125 HN ARG 125 -8.775 -0.580 -7.869 1030 HA ARG 125 HA ARG 125 -10.702 1.641 -8.112 1031 1HB ARG 125 HB2 ARG 125 -8.817 1.107 -9.790 1032 2HB ARG 125 HB1 ARG 125 -9.863 -0.199 -10.346 1033 1HG ARG 125 HG2 ARG 125 -11.692 1.710 -10.395 1034 2HG ARG 125 HG1 ARG 125 -10.283 2.764 -10.511 1035 1HD ARG 125 HD2 ARG 125 -10.680 2.329 -12.758 1036 2HD ARG 125 HD1 ARG 125 -9.538 1.040 -12.373 1037 HE ARG 125 HE ARG 125 -11.995 -0.103 -11.847 1038 1HH1 ARG 125 HH21 ARG 125 -10.591 1.554 -14.582 1039 2HH1 ARG 125 HH22 ARG 125 -11.524 0.660 -15.729 1040 1HH2 ARG 125 HH11 ARG 125 -13.183 -1.242 -13.368 1041 2HH2 ARG 125 HH12 ARG 125 -12.977 -0.905 -15.054 1042 H GLU 126 HN GLU 126 -10.747 -1.690 -9.402 1043 HA GLU 126 HA GLU 126 -13.513 -1.822 -9.862 1044 1HB GLU 126 HB2 GLU 126 -11.374 -3.558 -10.119 1045 2HB GLU 126 HB1 GLU 126 -12.388 -4.356 -8.917 1046 1HG GLU 126 HG2 GLU 126 -14.336 -3.747 -10.582 1047 2HG GLU 126 HG1 GLU 126 -13.028 -3.650 -11.762 1048 H LYS 127 HN LYS 127 -11.798 -2.109 -6.818 1049 HA LYS 127 HA LYS 127 -14.189 -3.229 -5.504 1050 1HB LYS 127 HB2 LYS 127 -11.612 -3.702 -5.013 1051 2HB LYS 127 HB1 LYS 127 -11.844 -2.353 -3.896 1052 1HG LYS 127 HG2 LYS 127 -12.349 -4.405 -2.712 1053 2HG LYS 127 HG1 LYS 127 -13.868 -3.555 -3.001 1054 1HD LYS 127 HD2 LYS 127 -14.639 -5.412 -4.014 1055 2HD LYS 127 HD1 LYS 127 -13.451 -5.139 -5.290 1056 1HE LYS 127 HE2 LYS 127 -11.795 -6.465 -4.097 1057 2HE LYS 127 HE1 LYS 127 -12.884 -6.648 -2.722 1058 1HZ LYS 127 HZ1 LYS 127 -14.126 -7.436 -5.160 1059 2HZ LYS 127 HZ3 LYS 127 -12.699 -8.313 -4.891 1060 3HZ LYS 127 HZ2 LYS 127 -13.927 -8.314 -3.719 1061 OH TYR 128 OH TYR 128 -12.706 6.097 -8.144 1062 H TYR 128 HN TYR 128 -12.238 -0.189 -5.206 1063 HA TYR 128 HA TYR 128 -14.115 0.910 -3.289 1064 1HB TYR 128 HB2 TYR 128 -12.636 2.603 -3.102 1065 2HB TYR 128 HB1 TYR 128 -11.593 1.613 -4.117 1066 HD1 TYR 128 HD2 TYR 128 -12.097 1.815 -6.724 1067 HD2 TYR 128 HD1 TYR 128 -13.104 4.781 -3.797 1068 HE1 TYR 128 HE2 TYR 128 -12.159 3.534 -8.503 1069 HE2 TYR 128 HE1 TYR 128 -13.169 6.507 -5.573 1070 HH TYR 128 HH TYR 128 -13.467 6.659 -7.983 1071 H SER 129 HN SER 129 -14.462 0.394 -6.618 1072 HA SER 129 HA SER 129 -16.135 2.791 -7.044 1073 1HB SER 129 HB2 SER 129 -14.936 0.688 -8.747 1074 2HB SER 129 HB1 SER 129 -16.513 1.273 -9.269 1075 HG SER 129 HG SER 129 -15.237 2.764 -10.119 1076 H LYS 130 HN LYS 130 -16.835 0.417 -5.152 1077 HA LYS 130 HA LYS 130 -19.516 -0.127 -6.357 1078 1HB LYS 130 HB2 LYS 130 -17.942 -1.866 -4.429 1079 2HB LYS 130 HB1 LYS 130 -19.530 -2.241 -5.100 1080 1HG LYS 130 HG2 LYS 130 -17.851 -1.604 -7.296 1081 2HG LYS 130 HG1 LYS 130 -16.937 -2.702 -6.262 1082 1HD LYS 130 HD2 LYS 130 -19.436 -3.855 -6.247 1083 2HD LYS 130 HD1 LYS 130 -19.334 -3.220 -7.890 1084 1HE LYS 130 HE2 LYS 130 -17.185 -4.919 -6.592 1085 2HE LYS 130 HE1 LYS 130 -18.434 -5.553 -7.663 1086 1HZ LYS 130 HZ3 LYS 130 -16.898 -3.261 -8.611 1087 2HZ LYS 130 HZ2 LYS 130 -16.092 -4.755 -8.549 1088 3HZ LYS 130 HZ1 LYS 130 -17.509 -4.588 -9.472 1089 H CYS 131 HN CYS 131 -18.696 2.149 -4.667 1090 HA CYS 131 HA CYS 131 -20.301 1.544 -2.216 1091 1HB CYS 131 HB2 CYS 131 -17.758 2.538 -2.311 1092 2HB CYS 131 HB1 CYS 131 -18.697 4.029 -2.285 1093 H SER 132 HN SER 132 -19.760 3.874 -4.834 1094 HA SER 132 HA SER 132 -22.349 5.174 -4.090 1095 1HB SER 132 HB2 SER 132 -20.031 6.264 -5.715 1096 2HB SER 132 HB1 SER 132 -21.533 7.123 -5.389 1097 HG SER 132 HG SER 132 -19.934 7.692 -3.884 1098 H SER 133 HN SER 133 -23.217 6.282 -6.329 1099 HA SER 133 HA SER 133 -22.971 4.348 -8.561 1100 1HB SER 133 HB2 SER 133 -25.635 5.077 -7.308 1101 2HB SER 133 HB1 SER 133 -25.402 4.067 -8.732 1102 HG SER 133 HG SER 133 -23.992 2.795 -7.219 Start of MODEL 17 Raw file had 1102 H/Q atoms Start of MODEL 17 1 1H GLU 1 HT2 GLU 1 -22.863 23.640 -2.384 2 2H GLU 1 HT1 GLU 1 -21.655 24.132 -3.473 3 3H GLU 1 HT3 GLU 1 -23.092 25.025 -3.341 4 HA GLU 1 HA GLU 1 -24.070 23.800 -4.882 5 1HB GLU 1 HB2 GLU 1 -21.787 23.700 -5.828 6 2HB GLU 1 HB1 GLU 1 -21.466 22.241 -4.891 7 1HG GLU 1 HG2 GLU 1 -23.893 21.747 -6.231 8 2HG GLU 1 HG1 GLU 1 -22.842 22.509 -7.426 9 H ALA 2 HN ALA 2 -22.142 21.219 -3.305 10 HA ALA 2 HA ALA 2 -24.329 20.117 -1.830 11 1HB ALA 2 HB1 ALA 2 -23.881 19.043 -4.615 12 2HB ALA 2 HB3 ALA 2 -24.563 18.030 -3.343 13 3HB ALA 2 HB2 ALA 2 -25.402 19.496 -3.846 14 H GLU 3 HN GLU 3 -23.419 18.774 -0.330 15 HA GLU 3 HA GLU 3 -20.615 17.911 -0.790 16 1HB GLU 3 HB2 GLU 3 -22.319 17.877 1.721 17 2HB GLU 3 HB1 GLU 3 -20.620 17.411 1.639 18 1HG GLU 3 HG2 GLU 3 -20.263 19.770 0.593 19 2HG GLU 3 HG1 GLU 3 -21.841 20.141 1.291 20 H ALA 4 HN ALA 4 -20.527 15.969 -1.822 21 HA ALA 4 HA ALA 4 -22.558 13.980 -1.827 22 1HB ALA 4 HB3 ALA 4 -19.577 13.832 -2.339 23 2HB ALA 4 HB2 ALA 4 -20.651 12.455 -2.574 24 3HB ALA 4 HB1 ALA 4 -20.872 13.916 -3.532 25 H HIS 5 HN HIS 5 -21.469 11.561 -1.047 26 HA HIS 5 HA HIS 5 -21.587 11.817 1.886 27 1HB HIS 5 HB2 HIS 5 -22.484 9.899 0.071 28 2HB HIS 5 HB1 HIS 5 -21.092 9.132 0.835 29 HD1 HIS 5 HD1 HIS 5 -24.382 8.761 1.308 30 HD2 HIS 5 HD2 HIS 5 -21.521 10.337 3.899 31 HE1 HIS 5 HE1 HIS 5 -25.346 8.568 3.642 32 H LYS 6 HN LYS 6 -19.966 9.733 2.740 33 HA LYS 6 HA LYS 6 -17.311 10.934 2.300 34 1HB LYS 6 HB2 LYS 6 -17.821 8.512 3.994 35 2HB LYS 6 HB1 LYS 6 -16.591 9.762 4.183 36 1HG LYS 6 HG2 LYS 6 -19.569 10.041 4.674 37 2HG LYS 6 HG1 LYS 6 -18.278 10.149 5.872 38 1HD LYS 6 HD2 LYS 6 -17.360 12.112 4.551 39 2HD LYS 6 HD1 LYS 6 -18.850 12.075 3.608 40 1HE LYS 6 HE2 LYS 6 -19.041 12.110 6.598 41 2HE LYS 6 HE1 LYS 6 -18.668 13.613 5.754 42 1HZ LYS 6 HZ2 LYS 6 -20.963 11.859 5.080 43 2HZ LYS 6 HZ1 LYS 6 -21.074 13.216 6.096 44 3HZ LYS 6 HZ3 LYS 6 -20.644 13.412 4.468 45 H CYS 7 HN CYS 7 -16.674 10.305 0.283 46 HA CYS 7 HA CYS 7 -15.587 7.642 -0.005 47 1HB CYS 7 HB2 CYS 7 -17.830 6.978 -0.539 48 2HB CYS 7 HB1 CYS 7 -18.065 8.382 -1.578 49 H ASP 8 HN ASP 8 -16.892 10.160 -2.203 50 HA ASP 8 HA ASP 8 -14.729 10.046 -4.035 51 1HB ASP 8 HB2 ASP 8 -16.955 11.885 -3.463 52 2HB ASP 8 HB1 ASP 8 -15.546 12.660 -4.191 53 H ILE 9 HN ILE 9 -14.845 11.425 -0.852 54 HA ILE 9 HA ILE 9 -12.523 13.153 -1.430 55 HB ILE 9 HB ILE 9 -13.804 14.328 0.066 56 1HG1 ILE 9 HG12 ILE 9 -12.358 12.755 2.170 57 2HG1 ILE 9 HG11 ILE 9 -11.452 13.709 0.995 58 1HG2 ILE 9 HG22 ILE 9 -14.695 11.672 1.053 59 2HG2 ILE 9 HG21 ILE 9 -14.708 12.996 2.210 60 3HG2 ILE 9 HG23 ILE 9 -15.629 13.121 0.714 61 1HD1 ILE 9 HD13 ILE 9 -13.336 15.519 1.716 62 2HD1 ILE 9 HD12 ILE 9 -13.203 14.604 3.218 63 3HD1 ILE 9 HD11 ILE 9 -11.776 15.376 2.527 64 H THR 10 HN THR 10 -13.015 10.920 1.320 65 HA THR 10 HA THR 10 -10.192 10.493 1.590 66 HB THR 10 HB THR 10 -12.453 8.824 2.710 67 HG1 THR 10 HG1 THR 10 -11.868 10.256 4.569 68 1HG2 THR 10 HG21 THR 10 -9.648 8.497 2.775 69 2HG2 THR 10 HG23 THR 10 -10.109 9.115 4.361 70 3HG2 THR 10 HG22 THR 10 -10.847 7.638 3.741 71 H LEU 11 HN LEU 11 -12.755 8.401 0.183 72 HA LEU 11 HA LEU 11 -10.951 6.221 -0.303 73 1HB LEU 11 HB2 LEU 11 -13.722 6.857 -0.927 74 2HB LEU 11 HB1 LEU 11 -12.929 6.009 -2.254 75 HG LEU 11 HG LEU 11 -13.993 4.473 -0.573 76 1HD1 LEU 11 HD12 LEU 11 -12.043 3.777 -1.973 77 2HD1 LEU 11 HD11 LEU 11 -10.966 4.286 -0.674 78 3HD1 LEU 11 HD13 LEU 11 -12.093 2.958 -0.412 79 1HD2 LEU 11 HD21 LEU 11 -12.957 6.210 1.283 80 2HD2 LEU 11 HD23 LEU 11 -13.503 4.573 1.648 81 3HD2 LEU 11 HD22 LEU 11 -11.793 4.888 1.352 82 H GLN 12 HN GLN 12 -12.088 8.832 -2.505 83 HA GLN 12 HA GLN 12 -10.566 7.900 -4.750 84 1HB GLN 12 HB2 GLN 12 -11.601 9.610 -5.787 85 2HB GLN 12 HB1 GLN 12 -12.330 10.032 -4.239 86 1HG GLN 12 HG2 GLN 12 -10.377 11.461 -3.711 87 2HG GLN 12 HG1 GLN 12 -9.660 11.052 -5.271 88 1HE2 GLN 12 HE22 GLN 12 -11.883 14.224 -5.310 89 2HE2 GLN 12 HE21 GLN 12 -10.847 13.679 -4.080 90 H GLU 13 HN GLU 13 -9.764 10.071 -2.074 91 HA GLU 13 HA GLU 13 -7.232 10.936 -3.115 92 1HB GLU 13 HB2 GLU 13 -8.526 11.927 -1.141 93 2HB GLU 13 HB1 GLU 13 -7.901 10.584 -0.184 94 1HG GLU 13 HG2 GLU 13 -5.958 11.677 0.097 95 2HG GLU 13 HG1 GLU 13 -5.724 11.725 -1.651 96 H ILE 14 HN ILE 14 -8.270 8.095 -1.329 97 HA ILE 14 HA ILE 14 -5.621 7.136 -0.697 98 HB ILE 14 HB ILE 14 -8.355 6.282 -0.311 99 1HG1 ILE 14 HG12 ILE 14 -5.793 5.187 0.884 100 2HG1 ILE 14 HG11 ILE 14 -6.534 6.704 1.396 101 1HG2 ILE 14 HG22 ILE 14 -6.410 4.155 -1.261 102 2HG2 ILE 14 HG21 ILE 14 -7.953 3.827 -0.481 103 3HG2 ILE 14 HG23 ILE 14 -7.917 4.614 -2.057 104 1HD1 ILE 14 HD11 ILE 14 -8.698 5.263 1.675 105 2HD1 ILE 14 HD13 ILE 14 -7.579 3.899 1.697 106 3HD1 ILE 14 HD12 ILE 14 -7.446 5.169 2.914 107 H ILE 15 HN ILE 15 -7.804 6.778 -3.437 108 HA ILE 15 HA ILE 15 -6.341 4.659 -4.729 109 HB ILE 15 HB ILE 15 -8.404 6.663 -5.609 110 1HG1 ILE 15 HG12 ILE 15 -8.759 3.801 -6.146 111 2HG1 ILE 15 HG11 ILE 15 -8.493 4.147 -4.438 112 1HG2 ILE 15 HG23 ILE 15 -6.579 5.022 -7.306 113 2HG2 ILE 15 HG22 ILE 15 -8.278 5.100 -7.774 114 3HG2 ILE 15 HG21 ILE 15 -7.330 6.581 -7.647 115 1HD1 ILE 15 HD11 ILE 15 -10.397 5.906 -5.919 116 2HD1 ILE 15 HD13 ILE 15 -10.932 4.272 -5.524 117 3HD1 ILE 15 HD12 ILE 15 -10.435 5.373 -4.239 118 H LYS 16 HN LYS 16 -6.234 8.209 -4.999 119 HA LYS 16 HA LYS 16 -4.359 8.312 -7.153 120 1HB LYS 16 HB2 LYS 16 -5.124 10.214 -4.952 121 2HB LYS 16 HB1 LYS 16 -3.776 10.593 -6.023 122 1HG LYS 16 HG2 LYS 16 -5.473 9.984 -7.930 123 2HG LYS 16 HG1 LYS 16 -6.690 10.293 -6.689 124 1HD LYS 16 HD2 LYS 16 -4.562 12.332 -6.843 125 2HD LYS 16 HD1 LYS 16 -5.584 12.232 -8.277 126 1HE LYS 16 HE2 LYS 16 -7.573 12.236 -6.627 127 2HE LYS 16 HE1 LYS 16 -6.405 12.794 -5.429 128 1HZ LYS 16 HZ1 LYS 16 -5.835 14.443 -7.403 129 2HZ LYS 16 HZ3 LYS 16 -7.467 14.165 -7.773 130 3HZ LYS 16 HZ2 LYS 16 -7.036 14.786 -6.251 131 H THR 17 HN THR 17 -3.886 8.373 -3.619 132 HA THR 17 HA THR 17 -1.053 8.560 -3.638 133 HB THR 17 HB THR 17 -2.507 6.868 -1.617 134 HG1 THR 17 HG1 THR 17 -2.457 9.687 -1.551 135 1HG2 THR 17 HG22 THR 17 0.077 7.757 -1.808 136 2HG2 THR 17 HG21 THR 17 -0.657 9.019 -0.818 137 3HG2 THR 17 HG23 THR 17 -0.722 7.336 -0.294 138 H LEU 18 HN LEU 18 -3.213 5.784 -3.967 139 HA LEU 18 HA LEU 18 -1.275 3.715 -3.778 140 1HB LEU 18 HB2 LEU 18 -3.938 3.711 -4.100 141 2HB LEU 18 HB1 LEU 18 -3.477 3.463 -5.783 142 HG LEU 18 HG LEU 18 -3.751 1.297 -4.687 143 1HD1 LEU 18 HD13 LEU 18 -1.769 1.881 -6.306 144 2HD1 LEU 18 HD12 LEU 18 -0.773 1.671 -4.866 145 3HD1 LEU 18 HD11 LEU 18 -1.763 0.338 -5.455 146 1HD2 LEU 18 HD23 LEU 18 -2.640 2.655 -2.474 147 2HD2 LEU 18 HD22 LEU 18 -3.134 0.963 -2.544 148 3HD2 LEU 18 HD21 LEU 18 -1.468 1.410 -2.909 149 H ASN 19 HN ASN 19 -2.294 5.722 -6.528 150 HA ASN 19 HA ASN 19 -0.666 4.330 -8.464 151 1HB ASN 19 HB2 ASN 19 -2.055 5.591 -9.725 152 2HB ASN 19 HB1 ASN 19 -2.374 6.703 -8.393 153 1HD2 ASN 19 HD22 ASN 19 0.336 7.704 -11.235 154 2HD2 ASN 19 HD21 ASN 19 -0.537 6.250 -11.313 155 H SER 20 HN SER 20 -0.051 6.908 -6.162 156 HA SER 20 HA SER 20 2.358 7.919 -7.341 157 1HB SER 20 HB2 SER 20 1.002 8.943 -5.426 158 2HB SER 20 HB1 SER 20 1.794 7.775 -4.372 159 HG SER 20 HG SER 20 3.785 8.682 -5.529 160 H LEU 21 HN LEU 21 1.800 5.359 -4.919 161 HA LEU 21 HA LEU 21 4.586 4.726 -4.575 162 1HB LEU 21 HB2 LEU 21 2.268 2.812 -4.204 163 2HB LEU 21 HB1 LEU 21 3.827 2.795 -3.377 164 HG LEU 21 HG LEU 21 1.556 4.753 -3.044 165 1HD1 LEU 21 HD11 LEU 21 2.769 2.576 -1.529 166 2HD1 LEU 21 HD13 LEU 21 2.713 4.073 -0.599 167 3HD1 LEU 21 HD12 LEU 21 1.228 3.396 -1.269 168 1HD2 LEU 21 HD22 LEU 21 4.495 5.085 -2.437 169 2HD2 LEU 21 HD21 LEU 21 3.403 6.223 -3.226 170 3HD2 LEU 21 HD23 LEU 21 3.269 5.930 -1.492 171 H THR 22 HN THR 22 2.448 4.124 -7.198 172 HA THR 22 HA THR 22 3.902 1.717 -8.086 173 HB THR 22 HB THR 22 1.963 3.107 -9.873 174 HG1 THR 22 HG1 THR 22 0.819 1.499 -7.962 175 1HG2 THR 22 HG23 THR 22 3.151 0.839 -10.226 176 2HG2 THR 22 HG22 THR 22 2.039 0.220 -9.005 177 3HG2 THR 22 HG21 THR 22 1.410 0.900 -10.506 178 H GLU 23 HN GLU 23 4.959 4.716 -8.007 179 HA GLU 23 HA GLU 23 5.580 5.152 -10.839 180 1HB GLU 23 HB2 GLU 23 5.376 6.837 -8.699 181 2HB GLU 23 HB1 GLU 23 7.125 6.622 -8.791 182 1HG GLU 23 HG2 GLU 23 5.557 7.196 -11.291 183 2HG GLU 23 HG1 GLU 23 6.002 8.516 -10.208 184 H GLN 24 HN GLN 24 7.458 4.442 -7.896 185 HA GLN 24 HA GLN 24 9.695 3.492 -9.628 186 1HB GLN 24 HB2 GLN 24 9.496 4.723 -6.957 187 2HB GLN 24 HB1 GLN 24 10.599 3.351 -7.022 188 1HG GLN 24 HG2 GLN 24 12.140 4.596 -8.083 189 2HG GLN 24 HG1 GLN 24 10.989 4.966 -9.366 190 1HE2 GLN 24 HE22 GLN 24 9.791 7.882 -7.316 191 2HE2 GLN 24 HE21 GLN 24 9.062 6.446 -7.850 192 H LYS 25 HN LYS 25 7.575 1.809 -9.716 193 HA LYS 25 HA LYS 25 7.979 -0.262 -7.646 194 1HB LYS 25 HB2 LYS 25 6.029 -1.369 -8.710 195 2HB LYS 25 HB1 LYS 25 5.665 0.293 -8.243 196 1HG LYS 25 HG2 LYS 25 5.214 0.851 -10.375 197 2HG LYS 25 HG1 LYS 25 6.781 0.242 -10.906 198 1HD LYS 25 HD2 LYS 25 4.933 -0.963 -12.021 199 2HD LYS 25 HD1 LYS 25 5.876 -2.046 -10.997 200 1HE LYS 25 HE2 LYS 25 3.818 -0.862 -9.398 201 2HE LYS 25 HE1 LYS 25 3.080 -1.506 -10.865 202 1HZ LYS 25 HZ1 LYS 25 4.995 -3.049 -9.214 203 2HZ LYS 25 HZ3 LYS 25 3.319 -3.105 -8.965 204 3HZ LYS 25 HZ2 LYS 25 3.975 -3.628 -10.442 205 H THR 26 HN THR 26 10.262 -0.432 -8.722 206 HA THR 26 HA THR 26 10.195 -2.819 -10.429 207 HB THR 26 HB THR 26 12.041 -1.360 -11.846 208 HG1 THR 26 HG1 THR 26 9.852 0.362 -11.698 209 1HG2 THR 26 HG22 THR 26 9.242 -2.236 -12.221 210 2HG2 THR 26 HG21 THR 26 9.797 -0.992 -13.341 211 3HG2 THR 26 HG23 THR 26 10.659 -2.526 -13.230 212 H LEU 27 HN LEU 27 12.394 -0.225 -9.322 213 HA LEU 27 HA LEU 27 14.455 -2.258 -8.732 214 1HB LEU 27 HB2 LEU 27 14.415 0.564 -9.351 215 2HB LEU 27 HB1 LEU 27 15.282 0.301 -7.837 216 HG LEU 27 HG LEU 27 16.819 0.133 -9.755 217 1HD1 LEU 27 HD11 LEU 27 16.769 -1.497 -7.643 218 2HD1 LEU 27 HD13 LEU 27 16.475 -2.709 -8.890 219 3HD1 LEU 27 HD12 LEU 27 17.937 -1.723 -8.946 220 1HD2 LEU 27 HD22 LEU 27 14.593 -1.311 -10.870 221 2HD2 LEU 27 HD21 LEU 27 16.069 -0.779 -11.674 222 3HD2 LEU 27 HD23 LEU 27 16.016 -2.353 -10.879 223 H CYS 28 HN CYS 28 12.411 0.078 -6.992 224 HA CYS 28 HA CYS 28 13.527 -0.784 -4.417 225 1HB CYS 28 HB2 CYS 28 11.635 1.295 -5.346 226 2HB CYS 28 HB1 CYS 28 11.303 0.634 -3.744 227 H THR 29 HN THR 29 11.196 -2.020 -6.552 228 HA THR 29 HA THR 29 9.517 -3.183 -4.431 229 HB THR 29 HB THR 29 8.442 -4.308 -6.503 230 HG1 THR 29 HG1 THR 29 8.993 -3.446 -8.427 231 1HG2 THR 29 HG22 THR 29 8.466 -1.335 -5.978 232 2HG2 THR 29 HG21 THR 29 7.325 -2.100 -7.085 233 3HG2 THR 29 HG23 THR 29 7.318 -2.528 -5.377 234 H GLU 30 HN GLU 30 12.511 -3.912 -5.243 235 HA GLU 30 HA GLU 30 12.170 -6.783 -5.793 236 1HB GLU 30 HB2 GLU 30 14.605 -6.807 -5.950 237 2HB GLU 30 HB1 GLU 30 13.993 -5.422 -6.852 238 1HG GLU 30 HG2 GLU 30 15.280 -4.077 -5.604 239 2HG GLU 30 HG1 GLU 30 14.353 -4.547 -4.180 240 H LEU 31 HN LEU 31 10.899 -6.416 -3.489 241 HA LEU 31 HA LEU 31 12.701 -7.584 -1.450 242 1HB LEU 31 HB2 LEU 31 10.681 -5.443 -0.751 243 2HB LEU 31 HB1 LEU 31 11.947 -6.114 0.278 244 HG LEU 31 HG LEU 31 12.496 -4.552 -2.261 245 1HD1 LEU 31 HD12 LEU 31 12.087 -3.705 0.579 246 2HD1 LEU 31 HD11 LEU 31 13.336 -2.890 -0.364 247 3HD1 LEU 31 HD13 LEU 31 11.660 -2.866 -0.912 248 1HD2 LEU 31 HD22 LEU 31 14.108 -6.282 -0.835 249 2HD2 LEU 31 HD21 LEU 31 14.691 -4.972 -1.861 250 3HD2 LEU 31 HD23 LEU 31 14.510 -4.717 -0.125 251 H THR 32 HN THR 32 11.692 -9.564 -1.794 252 HA THR 32 HA THR 32 9.000 -10.193 -2.131 253 HB THR 32 HB THR 32 9.610 -12.338 -0.832 254 HG1 THR 32 HG1 THR 32 12.002 -12.438 -0.738 255 1HG2 THR 32 HG22 THR 32 10.999 -11.281 -3.285 256 2HG2 THR 32 HG21 THR 32 11.324 -12.913 -2.702 257 3HG2 THR 32 HG23 THR 32 9.688 -12.457 -3.181 258 H VAL 33 HN VAL 33 7.705 -8.812 -0.976 259 HA VAL 33 HA VAL 33 7.729 -8.922 1.959 260 HB VAL 33 HB VAL 33 5.595 -7.445 1.620 261 1HG1 VAL 33 HG11 VAL 33 8.319 -6.922 1.844 262 2HG1 VAL 33 HG13 VAL 33 7.804 -5.905 0.499 263 3HG1 VAL 33 HG12 VAL 33 7.016 -5.753 2.069 264 1HG2 VAL 33 HG23 VAL 33 5.842 -8.146 -0.999 265 2HG2 VAL 33 HG22 VAL 33 5.100 -6.638 -0.468 266 3HG2 VAL 33 HG21 VAL 33 6.785 -6.656 -0.985 267 H THR 34 HN THR 34 4.606 -8.963 0.302 268 HA THR 34 HA THR 34 4.213 -11.811 0.654 269 HB THR 34 HB THR 34 3.471 -9.919 2.795 270 HG1 THR 34 HG1 THR 34 3.587 -11.858 3.961 271 1HG2 THR 34 HG22 THR 34 1.491 -11.917 1.681 272 2HG2 THR 34 HG21 THR 34 1.404 -11.296 3.329 273 3HG2 THR 34 HG23 THR 34 1.242 -10.194 1.962 274 H ASP 35 HN ASP 35 2.430 -12.500 -0.514 275 HA ASP 35 HA ASP 35 0.864 -10.355 -1.876 276 1HB ASP 35 HB2 ASP 35 2.035 -12.850 -2.758 277 2HB ASP 35 HB1 ASP 35 0.296 -12.860 -3.048 278 H ILE 36 HN ILE 36 -0.991 -9.985 -0.735 279 HA ILE 36 HA ILE 36 -2.311 -12.231 0.665 280 HB ILE 36 HB ILE 36 -3.403 -10.625 1.937 281 1HG1 ILE 36 HG12 ILE 36 -3.318 -9.024 -0.605 282 2HG1 ILE 36 HG11 ILE 36 -4.694 -9.395 0.435 283 1HG2 ILE 36 HG23 ILE 36 -0.840 -10.358 1.928 284 2HG2 ILE 36 HG22 ILE 36 -1.113 -8.917 0.949 285 3HG2 ILE 36 HG21 ILE 36 -1.779 -9.014 2.579 286 1HD1 ILE 36 HD12 ILE 36 -3.501 -7.941 2.208 287 2HD1 ILE 36 HD11 ILE 36 -2.514 -7.354 0.871 288 3HD1 ILE 36 HD13 ILE 36 -4.260 -7.107 0.852 289 H PHE 37 HN PHE 37 -2.336 -11.736 -2.410 290 HA PHE 37 HA PHE 37 -5.312 -11.682 -2.709 291 1HB PHE 37 HB2 PHE 37 -3.228 -11.187 -4.855 292 2HB PHE 37 HB1 PHE 37 -4.970 -10.957 -4.998 293 HD1 PHE 37 HD2 PHE 37 -6.104 -9.117 -3.798 294 HD2 PHE 37 HD1 PHE 37 -1.837 -9.591 -3.688 295 HE1 PHE 37 HE2 PHE 37 -5.869 -6.802 -2.939 296 HE2 PHE 37 HE1 PHE 37 -1.600 -7.277 -2.830 297 HZ PHE 37 HZ PHE 37 -3.617 -5.882 -2.455 298 H ALA 38 HN ALA 38 -3.614 -14.006 -1.962 299 HA ALA 38 HA ALA 38 -3.311 -15.710 -4.272 300 1HB ALA 38 HB3 ALA 38 -2.858 -15.881 -1.427 301 2HB ALA 38 HB2 ALA 38 -3.703 -17.326 -1.983 302 3HB ALA 38 HB1 ALA 38 -2.166 -16.868 -2.715 303 H ALA 39 HN ALA 39 -5.901 -15.196 -1.915 304 HA ALA 39 HA ALA 39 -7.861 -16.278 -3.778 305 1HB ALA 39 HB2 ALA 39 -6.666 -18.242 -2.417 306 2HB ALA 39 HB1 ALA 39 -7.827 -17.755 -1.182 307 3HB ALA 39 HB3 ALA 39 -8.394 -18.285 -2.766 308 H SER 40 HN SER 40 -8.585 -14.057 -3.326 309 HA SER 40 HA SER 40 -9.341 -13.206 -0.684 310 1HB SER 40 HB2 SER 40 -10.460 -12.280 -3.346 311 2HB SER 40 HB1 SER 40 -10.530 -11.404 -1.818 312 HG SER 40 HG SER 40 -8.770 -10.594 -2.801 313 H LYS 41 HN LYS 41 -10.762 -14.495 0.434 314 HA LYS 41 HA LYS 41 -13.260 -15.323 -0.984 315 1HB LYS 41 HB2 LYS 41 -11.443 -16.736 0.791 316 2HB LYS 41 HB1 LYS 41 -13.092 -16.755 1.420 317 1HG LYS 41 HG2 LYS 41 -12.748 -17.278 -1.494 318 2HG LYS 41 HG1 LYS 41 -12.240 -18.552 -0.384 319 1HD LYS 41 HD2 LYS 41 -14.714 -17.619 0.600 320 2HD LYS 41 HD1 LYS 41 -14.917 -17.775 -1.146 321 1HE LYS 41 HE2 LYS 41 -13.815 -20.082 -0.908 322 2HE LYS 41 HE1 LYS 41 -14.074 -19.902 0.828 323 1HZ LYS 41 HZ3 LYS 41 -16.441 -19.204 -0.472 324 2HZ LYS 41 HZ2 LYS 41 -15.917 -20.676 -1.137 325 3HZ LYS 41 HZ1 LYS 41 -16.158 -20.536 0.539 326 H ASP 42 HN ASP 42 -11.928 -13.754 1.877 327 HA ASP 42 HA ASP 42 -14.673 -12.748 2.469 328 1HB ASP 42 HB2 ASP 42 -12.820 -14.231 4.272 329 2HB ASP 42 HB1 ASP 42 -13.701 -12.871 4.968 330 H THR 43 HN THR 43 -11.953 -11.704 1.299 331 HA THR 43 HA THR 43 -11.630 -9.439 3.201 332 HB THR 43 HB THR 43 -9.568 -8.930 2.051 333 HG1 THR 43 HG1 THR 43 -9.131 -10.766 0.360 334 1HG2 THR 43 HG22 THR 43 -9.994 -11.209 3.525 335 2HG2 THR 43 HG21 THR 43 -9.218 -11.851 2.077 336 3HG2 THR 43 HG23 THR 43 -8.408 -10.613 3.036 337 H THR 44 HN THR 44 -13.019 -7.853 2.747 338 HA THR 44 HA THR 44 -13.884 -7.433 -0.018 339 HB THR 44 HB THR 44 -14.740 -6.056 2.534 340 HG1 THR 44 HG1 THR 44 -15.249 -8.435 1.604 341 1HG2 THR 44 HG22 THR 44 -15.099 -5.289 -0.178 342 2HG2 THR 44 HG21 THR 44 -16.642 -5.931 0.384 343 3HG2 THR 44 HG23 THR 44 -15.875 -4.600 1.249 344 H GLU 45 HN GLU 45 -13.392 -4.717 2.170 345 HA GLU 45 HA GLU 45 -11.197 -3.802 0.381 346 1HB GLU 45 HB2 GLU 45 -12.132 -1.618 0.143 347 2HB GLU 45 HB1 GLU 45 -13.446 -2.737 -0.211 348 1HG GLU 45 HG2 GLU 45 -14.203 -2.504 2.173 349 2HG GLU 45 HG1 GLU 45 -12.972 -1.259 2.393 350 H LYS 46 HN LYS 46 -12.918 -3.308 3.457 351 HA LYS 46 HA LYS 46 -10.662 -1.895 4.633 352 1HB LYS 46 HB2 LYS 46 -11.956 -2.038 6.712 353 2HB LYS 46 HB1 LYS 46 -13.007 -1.536 5.388 354 1HG LYS 46 HG2 LYS 46 -13.867 -3.797 5.142 355 2HG LYS 46 HG1 LYS 46 -12.730 -4.402 6.346 356 1HD LYS 46 HD2 LYS 46 -14.504 -2.152 7.168 357 2HD LYS 46 HD1 LYS 46 -15.252 -3.739 6.981 358 1HE LYS 46 HE2 LYS 46 -13.594 -4.721 8.505 359 2HE LYS 46 HE1 LYS 46 -12.803 -3.153 8.672 360 1HZ LYS 46 HZ2 LYS 46 -15.565 -2.888 9.175 361 2HZ LYS 46 HZ1 LYS 46 -14.938 -4.135 10.144 362 3HZ LYS 46 HZ3 LYS 46 -14.259 -2.583 10.218 363 H GLU 47 HN GLU 47 -11.627 -5.227 4.186 364 HA GLU 47 HA GLU 47 -9.911 -6.251 6.324 365 1HB GLU 47 HB2 GLU 47 -11.976 -7.383 5.134 366 2HB GLU 47 HB1 GLU 47 -10.765 -7.876 3.951 367 1HG GLU 47 HG2 GLU 47 -10.848 -9.650 5.543 368 2HG GLU 47 HG1 GLU 47 -9.389 -8.736 5.930 369 H THR 48 HN THR 48 -9.734 -5.884 2.788 370 HA THR 48 HA THR 48 -7.149 -7.088 2.490 371 HB THR 48 HB THR 48 -8.105 -4.874 0.698 372 HG1 THR 48 HG1 THR 48 -9.757 -6.017 0.069 373 1HG2 THR 48 HG22 THR 48 -6.625 -7.488 0.382 374 2HG2 THR 48 HG21 THR 48 -7.288 -6.614 -0.999 375 3HG2 THR 48 HG23 THR 48 -6.054 -5.862 0.011 376 H PHE 49 HN PHE 49 -8.105 -3.733 3.237 377 HA PHE 49 HA PHE 49 -5.376 -2.735 2.939 378 1HB PHE 49 HB2 PHE 49 -7.709 -1.481 4.410 379 2HB PHE 49 HB1 PHE 49 -6.214 -0.670 3.956 380 HD1 PHE 49 HD2 PHE 49 -5.838 -1.915 1.214 381 HD2 PHE 49 HD1 PHE 49 -9.288 -0.260 3.161 382 HE1 PHE 49 HE2 PHE 49 -6.831 -1.391 -0.996 383 HE2 PHE 49 HE1 PHE 49 -10.277 0.263 0.963 384 HZ PHE 49 HZ PHE 49 -9.056 -0.301 -1.125 385 H CYS 50 HN CYS 50 -7.288 -4.069 5.546 386 HA CYS 50 HA CYS 50 -5.679 -3.148 7.754 387 1HB CYS 50 HB2 CYS 50 -7.954 -4.209 7.939 388 2HB CYS 50 HB1 CYS 50 -7.266 -5.750 7.435 389 NH1 ARG 51 NH2 ARG 51 -6.662 -12.686 4.796 390 NH2 ARG 51 NH1 ARG 51 -7.875 -12.899 6.691 391 H ARG 51 HN ARG 51 -5.713 -6.377 6.120 392 HA ARG 51 HA ARG 51 -3.319 -7.332 7.335 393 1HB ARG 51 HB2 ARG 51 -4.601 -8.008 4.672 394 2HB ARG 51 HB1 ARG 51 -3.238 -8.896 5.354 395 1HG ARG 51 HG2 ARG 51 -4.634 -9.283 7.422 396 2HG ARG 51 HG1 ARG 51 -6.004 -8.591 6.550 397 1HD ARG 51 HD2 ARG 51 -5.662 -10.307 4.759 398 2HD ARG 51 HD1 ARG 51 -4.409 -11.044 5.757 399 HE ARG 51 HE ARG 51 -6.615 -10.928 7.431 400 1HH1 ARG 51 HH21 ARG 51 -5.969 -12.216 4.252 401 2HH1 ARG 51 HH22 ARG 51 -7.130 -13.484 4.418 402 1HH2 ARG 51 HH11 ARG 51 -8.112 -12.587 7.611 403 2HH2 ARG 51 HH12 ARG 51 -8.333 -13.697 6.300 404 H ALA 52 HN ALA 52 -3.790 -5.804 4.132 405 HA ALA 52 HA ALA 52 -1.020 -5.749 3.434 406 1HB ALA 52 HB1 ALA 52 -3.458 -4.270 2.528 407 2HB ALA 52 HB3 ALA 52 -1.875 -3.689 2.018 408 3HB ALA 52 HB2 ALA 52 -2.386 -5.326 1.610 409 H ALA 53 HN ALA 53 -2.787 -3.867 5.724 410 HA ALA 53 HA ALA 53 -1.057 -1.531 5.614 411 1HB ALA 53 HB2 ALA 53 -3.075 -2.510 7.648 412 2HB ALA 53 HB1 ALA 53 -2.127 -1.045 7.881 413 3HB ALA 53 HB3 ALA 53 -3.246 -1.164 6.525 414 H THR 54 HN THR 54 -1.198 -4.559 7.416 415 HA THR 54 HA THR 54 0.878 -3.872 9.311 416 HB THR 54 HB THR 54 -0.566 -6.325 8.472 417 HG1 THR 54 HG1 THR 54 0.241 -6.257 11.004 418 1HG2 THR 54 HG22 THR 54 2.260 -6.373 9.537 419 2HG2 THR 54 HG21 THR 54 1.150 -7.727 9.739 420 3HG2 THR 54 HG23 THR 54 1.620 -7.207 8.121 421 H VAL 55 HN VAL 55 0.839 -5.659 6.238 422 HA VAL 55 HA VAL 55 3.654 -6.148 6.108 423 HB VAL 55 HB VAL 55 1.844 -5.660 3.724 424 1HG1 VAL 55 HG11 VAL 55 4.393 -7.173 4.266 425 2HG1 VAL 55 HG13 VAL 55 3.340 -7.654 2.935 426 3HG1 VAL 55 HG12 VAL 55 4.036 -6.034 2.968 427 1HG2 VAL 55 HG23 VAL 55 1.804 -7.814 5.778 428 2HG2 VAL 55 HG22 VAL 55 0.511 -7.240 4.724 429 3HG2 VAL 55 HG21 VAL 55 1.732 -8.349 4.099 430 H LEU 56 HN LEU 56 1.649 -3.388 5.281 431 HA LEU 56 HA LEU 56 3.642 -1.906 3.832 432 1HB LEU 56 HB2 LEU 56 0.940 -1.490 4.787 433 2HB LEU 56 HB1 LEU 56 1.933 -0.075 5.141 434 HG LEU 56 HG LEU 56 2.708 -0.081 2.762 435 1HD1 LEU 56 HD11 LEU 56 1.641 -2.657 2.772 436 2HD1 LEU 56 HD13 LEU 56 0.497 -1.729 1.804 437 3HD1 LEU 56 HD12 LEU 56 2.201 -1.772 1.353 438 1HD2 LEU 56 HD21 LEU 56 0.101 0.590 3.799 439 2HD2 LEU 56 HD23 LEU 56 1.041 1.425 2.562 440 3HD2 LEU 56 HD22 LEU 56 -0.046 0.113 2.107 441 NH1 ARG 57 NH2 ARG 57 2.635 -0.615 14.500 442 NH2 ARG 57 NH1 ARG 57 2.151 1.590 14.411 443 H ARG 57 HN ARG 57 2.840 -2.271 7.240 444 HA ARG 57 HA ARG 57 4.424 -0.092 8.225 445 1HB ARG 57 HB2 ARG 57 2.982 -2.368 9.333 446 2HB ARG 57 HB1 ARG 57 4.515 -2.112 10.168 447 1HG ARG 57 HG2 ARG 57 3.704 0.440 10.037 448 2HG ARG 57 HG1 ARG 57 2.122 -0.341 10.014 449 1HD ARG 57 HD2 ARG 57 2.612 -1.523 12.077 450 2HD ARG 57 HD1 ARG 57 4.272 -0.928 12.068 451 HE ARG 57 HE ARG 57 2.731 1.377 12.040 452 1HH1 ARG 57 HH21 ARG 57 2.926 -1.463 14.060 453 2HH1 ARG 57 HH22 ARG 57 2.417 -0.614 15.476 454 1HH2 ARG 57 HH11 ARG 57 2.072 2.443 13.896 455 2HH2 ARG 57 HH12 ARG 57 1.935 1.575 15.388 456 H GLN 58 HN GLN 58 5.135 -3.456 7.410 457 HA GLN 58 HA GLN 58 7.832 -3.429 8.439 458 1HB GLN 58 HB2 GLN 58 6.121 -5.259 6.968 459 2HB GLN 58 HB1 GLN 58 7.757 -5.251 6.307 460 1HG GLN 58 HG2 GLN 58 7.412 -5.355 9.282 461 2HG GLN 58 HG1 GLN 58 7.147 -6.826 8.345 462 1HE2 GLN 58 HE22 GLN 58 10.664 -7.269 8.736 463 2HE2 GLN 58 HE21 GLN 58 9.137 -7.775 9.276 464 H PHE 59 HN PHE 59 6.349 -2.317 5.461 465 HA PHE 59 HA PHE 59 8.837 -2.169 3.966 466 1HB PHE 59 HB2 PHE 59 6.641 -2.292 2.838 467 2HB PHE 59 HB1 PHE 59 6.205 -0.726 3.519 468 HD1 PHE 59 HD2 PHE 59 7.608 1.313 2.906 469 HD2 PHE 59 HD1 PHE 59 7.964 -2.446 0.861 470 HE1 PHE 59 HE2 PHE 59 8.716 2.454 1.010 471 HE2 PHE 59 HE1 PHE 59 9.079 -1.302 -1.036 472 HZ PHE 59 HZ PHE 59 9.453 1.146 -0.964 473 OH TYR 60 OH TYR 60 6.263 3.875 11.427 474 H TYR 60 HN TYR 60 6.738 0.490 5.167 475 HA TYR 60 HA TYR 60 8.789 2.464 4.862 476 1HB TYR 60 HB2 TYR 60 7.116 3.893 5.348 477 2HB TYR 60 HB1 TYR 60 6.068 2.478 5.454 478 HD1 TYR 60 HD2 TYR 60 5.630 1.397 7.653 479 HD2 TYR 60 HD1 TYR 60 7.876 5.047 7.327 480 HE1 TYR 60 HE2 TYR 60 5.329 1.801 10.082 481 HE2 TYR 60 HE1 TYR 60 7.574 5.448 9.757 482 HH TYR 60 HH TYR 60 7.095 3.683 11.867 483 H SER 61 HN SER 61 8.316 0.126 7.344 484 HA SER 61 HA SER 61 9.769 1.760 9.330 485 1HB SER 61 HB2 SER 61 7.869 0.288 10.017 486 2HB SER 61 HB1 SER 61 8.820 -1.112 9.528 487 HG SER 61 HG SER 61 9.268 0.731 11.615 488 H HIS 62 HN HIS 62 10.205 -1.490 7.912 489 HA HIS 62 HA HIS 62 13.078 -1.369 8.591 490 1HB HIS 62 HB2 HIS 62 11.318 -3.558 7.472 491 2HB HIS 62 HB1 HIS 62 13.058 -3.739 7.703 492 HD1 HIS 62 HD1 HIS 62 11.982 -1.598 10.335 493 HD2 HIS 62 HD2 HIS 62 11.753 -5.711 9.696 494 HE1 HIS 62 HE1 HIS 62 11.589 -2.655 12.603 495 H HIS 63 HN HIS 63 11.028 -1.536 5.686 496 HA HIS 63 HA HIS 63 13.415 -1.551 3.959 497 1HB HIS 63 HB2 HIS 63 10.486 -1.378 3.203 498 2HB HIS 63 HB1 HIS 63 11.829 -1.709 2.109 499 HD1 HIS 63 HD1 HIS 63 13.048 -3.474 4.748 500 HD2 HIS 63 HD2 HIS 63 9.667 -4.129 2.399 501 HE1 HIS 63 HE1 HIS 63 12.477 -5.930 4.984 502 H GLU 64 HN GLU 64 12.727 0.876 5.684 503 HA GLU 64 HA GLU 64 12.094 2.898 3.632 504 1HB GLU 64 HB2 GLU 64 11.493 4.211 5.376 505 2HB GLU 64 HB1 GLU 64 11.634 2.752 6.352 506 1HG GLU 64 HG2 GLU 64 14.058 3.307 6.719 507 2HG GLU 64 HG1 GLU 64 13.777 4.845 5.899 508 H LYS 65 HN LYS 65 14.837 1.656 5.440 509 HA LYS 65 HA LYS 65 16.601 3.478 3.853 510 1HB LYS 65 HB2 LYS 65 16.587 4.044 6.284 511 2HB LYS 65 HB1 LYS 65 17.122 2.402 6.644 512 1HG LYS 65 HG2 LYS 65 19.166 2.765 5.316 513 2HG LYS 65 HG1 LYS 65 18.630 4.399 4.927 514 1HD LYS 65 HD2 LYS 65 18.688 3.685 7.812 515 2HD LYS 65 HD1 LYS 65 20.254 3.853 7.017 516 1HE LYS 65 HE2 LYS 65 18.090 5.940 6.720 517 2HE LYS 65 HE1 LYS 65 19.246 5.983 8.051 518 1HZ LYS 65 HZ1 LYS 65 21.043 5.945 6.412 519 2HZ LYS 65 HZ3 LYS 65 19.903 5.988 5.156 520 3HZ LYS 65 HZ2 LYS 65 20.042 7.305 6.221 521 H ASP 66 HN ASP 66 16.218 1.432 2.422 522 HA ASP 66 HA ASP 66 17.964 -0.823 3.252 523 1HB ASP 66 HB2 ASP 66 15.959 -0.463 1.014 524 2HB ASP 66 HB1 ASP 66 17.045 -1.851 1.094 525 H THR 67 HN THR 67 19.872 -1.286 2.171 526 HA THR 67 HA THR 67 21.139 0.852 0.705 527 HB THR 67 HB THR 67 22.414 -0.765 2.083 528 HG1 THR 67 HG1 THR 67 23.033 0.157 -0.242 529 1HG2 THR 67 HG21 THR 67 21.601 -2.731 -0.076 530 2HG2 THR 67 HG23 THR 67 22.763 -3.056 1.210 531 3HG2 THR 67 HG22 THR 67 21.070 -2.762 1.605 532 NH1 ARG 68 NH2 ARG 68 16.894 -6.081 1.445 533 NH2 ARG 68 NH1 ARG 68 18.779 -6.100 2.690 534 H ARG 68 HN ARG 68 19.303 -1.983 -0.225 535 HA ARG 68 HA ARG 68 20.189 -2.111 -2.957 536 1HB ARG 68 HB2 ARG 68 17.523 -2.943 -1.767 537 2HB ARG 68 HB1 ARG 68 18.166 -3.458 -3.327 538 1HG ARG 68 HG2 ARG 68 19.645 -4.922 -2.387 539 2HG ARG 68 HG1 ARG 68 19.969 -3.866 -1.012 540 1HD ARG 68 HD2 ARG 68 17.328 -4.560 -0.613 541 2HD ARG 68 HD1 ARG 68 18.013 -6.042 -1.277 542 HE ARG 68 HE ARG 68 19.846 -5.250 0.651 543 1HH1 ARG 68 HH21 ARG 68 16.419 -5.907 0.585 544 2HH1 ARG 68 HH22 ARG 68 16.384 -6.427 2.231 545 1HH2 ARG 68 HH11 ARG 68 19.761 -5.936 2.783 546 2HH2 ARG 68 HH12 ARG 68 18.254 -6.448 3.467 547 H CYS 69 HN CYS 69 17.313 -0.585 -1.460 548 HA CYS 69 HA CYS 69 16.233 0.551 -3.814 549 1HB CYS 69 HB2 CYS 69 16.044 1.090 -0.910 550 2HB CYS 69 HB1 CYS 69 15.671 2.466 -1.947 551 H LEU 70 HN LEU 70 18.957 1.556 -1.835 552 HA LEU 70 HA LEU 70 19.215 4.206 -2.941 553 1HB LEU 70 HB2 LEU 70 21.196 2.361 -1.581 554 2HB LEU 70 HB1 LEU 70 21.588 4.011 -2.067 555 HG LEU 70 HG LEU 70 19.307 3.247 -0.220 556 1HD1 LEU 70 HD12 LEU 70 21.779 2.993 0.579 557 2HD1 LEU 70 HD11 LEU 70 21.793 4.754 0.563 558 3HD1 LEU 70 HD13 LEU 70 20.653 3.892 1.595 559 1HD2 LEU 70 HD21 LEU 70 20.382 5.851 -1.304 560 2HD2 LEU 70 HD23 LEU 70 18.714 5.278 -1.274 561 3HD2 LEU 70 HD22 LEU 70 19.494 5.799 0.219 562 H GLY 71 HN GLY 71 21.682 1.674 -3.390 563 1HA GLY 71 HA2 GLY 71 22.381 0.760 -5.519 564 2HA GLY 71 HA1 GLY 71 21.499 2.056 -6.330 565 H ALA 72 HN ALA 72 23.488 2.495 -7.544 566 HA ALA 72 HA ALA 72 25.662 3.731 -5.922 567 1HB ALA 72 HB1 ALA 72 25.761 1.986 -8.083 568 2HB ALA 72 HB3 ALA 72 26.109 3.554 -8.810 569 3HB ALA 72 HB2 ALA 72 27.106 2.957 -7.484 570 H THR 73 HN THR 73 23.143 5.104 -6.307 571 HA THR 73 HA THR 73 24.163 7.466 -7.815 572 HB THR 73 HB THR 73 21.249 6.702 -7.901 573 HG1 THR 73 HG1 THR 73 21.608 5.403 -9.555 574 1HG2 THR 73 HG22 THR 73 23.073 8.652 -9.195 575 2HG2 THR 73 HG21 THR 73 21.848 7.929 -10.237 576 3HG2 THR 73 HG23 THR 73 21.363 8.806 -8.786 577 H ALA 74 HN ALA 74 23.494 9.475 -6.937 578 HA ALA 74 HA ALA 74 22.650 9.334 -4.119 579 1HB ALA 74 HB2 ALA 74 24.311 11.040 -5.596 580 2HB ALA 74 HB1 ALA 74 22.895 12.019 -5.213 581 3HB ALA 74 HB3 ALA 74 23.817 11.255 -3.918 582 H GLN 75 HN GLN 75 21.363 10.344 -7.232 583 HA GLN 75 HA GLN 75 19.147 11.880 -6.357 584 1HB GLN 75 HB2 GLN 75 19.885 10.383 -8.792 585 2HB GLN 75 HB1 GLN 75 18.148 10.565 -8.544 586 1HG GLN 75 HG2 GLN 75 18.915 13.075 -7.962 587 2HG GLN 75 HG1 GLN 75 20.213 12.641 -9.075 588 1HE2 GLN 75 HE22 GLN 75 16.520 13.394 -10.531 589 2HE2 GLN 75 HE21 GLN 75 16.898 13.600 -8.888 590 H GLN 76 HN GLN 76 19.510 8.358 -6.695 591 HA GLN 76 HA GLN 76 16.814 7.635 -6.199 592 1HB GLN 76 HB2 GLN 76 19.203 6.272 -6.579 593 2HB GLN 76 HB1 GLN 76 18.746 5.841 -4.931 594 1HG GLN 76 HG2 GLN 76 17.464 4.269 -5.983 595 2HG GLN 76 HG1 GLN 76 16.340 5.615 -6.174 596 1HE2 GLN 76 HE22 GLN 76 17.618 6.187 -9.627 597 2HE2 GLN 76 HE21 GLN 76 17.497 7.114 -8.211 598 H PHE 77 HN PHE 77 19.427 8.458 -3.957 599 HA PHE 77 HA PHE 77 18.051 7.701 -1.557 600 1HB PHE 77 HB2 PHE 77 20.559 8.696 -2.150 601 2HB PHE 77 HB1 PHE 77 19.799 10.053 -1.319 602 HD1 PHE 77 HD2 PHE 77 17.968 8.676 0.544 603 HD2 PHE 77 HD1 PHE 77 22.017 7.748 -0.549 604 HE1 PHE 77 HE2 PHE 77 18.292 7.532 2.719 605 HE2 PHE 77 HE1 PHE 77 22.340 6.605 1.629 606 HZ PHE 77 HZ PHE 77 20.479 6.497 3.262 607 H HIS 78 HN HIS 78 18.034 10.649 -3.512 608 HA HIS 78 HA HIS 78 16.611 12.306 -1.667 609 1HB HIS 78 HB2 HIS 78 17.779 12.968 -3.871 610 2HB HIS 78 HB1 HIS 78 16.292 12.452 -4.666 611 HD1 HIS 78 HD1 HIS 78 16.726 14.378 -1.402 612 HD2 HIS 78 HD2 HIS 78 14.979 14.837 -5.159 613 HE1 HIS 78 HE1 HIS 78 15.469 16.576 -1.343 614 NH1 ARG 79 NH2 ARG 79 10.860 12.881 -8.404 615 NH2 ARG 79 NH1 ARG 79 8.679 12.580 -7.903 616 H ARG 79 HN ARG 79 15.336 10.568 -4.525 617 HA ARG 79 HA ARG 79 12.595 10.974 -3.873 618 1HB ARG 79 HB2 ARG 79 13.801 9.998 -6.041 619 2HB ARG 79 HB1 ARG 79 13.407 8.460 -5.271 620 1HG ARG 79 HG2 ARG 79 11.339 8.680 -6.148 621 2HG ARG 79 HG1 ARG 79 11.083 9.977 -4.982 622 1HD ARG 79 HD2 ARG 79 12.256 11.494 -6.728 623 2HD ARG 79 HD1 ARG 79 11.935 10.187 -7.866 624 HE ARG 79 HE ARG 79 9.485 10.633 -6.649 625 1HH1 ARG 79 HH21 ARG 79 11.818 12.604 -8.339 626 2HH1 ARG 79 HH22 ARG 79 10.616 13.691 -8.938 627 1HH2 ARG 79 HH11 ARG 79 7.956 12.064 -7.445 628 2HH2 ARG 79 HH12 ARG 79 8.451 13.392 -8.439 629 H HIS 80 HN HIS 80 14.931 8.801 -2.496 630 HA HIS 80 HA HIS 80 13.063 6.810 -1.544 631 1HB HIS 80 HB2 HIS 80 15.703 6.779 -1.708 632 2HB HIS 80 HB1 HIS 80 15.600 7.441 -0.076 633 HD1 HIS 80 HD1 HIS 80 12.716 5.638 0.053 634 HD2 HIS 80 HD2 HIS 80 16.677 4.376 -0.240 635 HE1 HIS 80 HE1 HIS 80 12.767 3.247 0.881 636 H LYS 81 HN LYS 81 14.654 9.583 0.066 637 HA LYS 81 HA LYS 81 13.341 9.310 2.567 638 1HB LYS 81 HB2 LYS 81 15.284 10.895 1.841 639 2HB LYS 81 HB1 LYS 81 13.991 12.005 1.388 640 1HG LYS 81 HG2 LYS 81 14.616 12.522 3.657 641 2HG LYS 81 HG1 LYS 81 13.048 11.716 3.716 642 1HD LYS 81 HD2 LYS 81 13.887 9.883 4.774 643 2HD LYS 81 HD1 LYS 81 15.377 9.901 3.829 644 1HE LYS 81 HE2 LYS 81 16.201 11.804 5.182 645 2HE LYS 81 HE1 LYS 81 14.725 11.748 6.144 646 1HZ LYS 81 HZ2 LYS 81 16.361 9.323 5.828 647 2HZ LYS 81 HZ1 LYS 81 16.820 10.505 6.959 648 3HZ LYS 81 HZ3 LYS 81 15.306 9.751 7.090 649 H GLN 82 HN GLN 82 12.243 10.658 -0.481 650 HA GLN 82 HA GLN 82 9.899 11.948 0.696 651 1HB GLN 82 HB2 GLN 82 10.333 11.251 -2.217 652 2HB GLN 82 HB1 GLN 82 9.311 12.527 -1.552 653 1HG GLN 82 HG2 GLN 82 11.700 13.213 -0.461 654 2HG GLN 82 HG1 GLN 82 12.245 12.484 -1.972 655 1HE2 GLN 82 HE22 GLN 82 10.495 14.949 -4.000 656 2HE2 GLN 82 HE21 GLN 82 10.824 13.284 -3.972 657 H LEU 83 HN LEU 83 10.678 8.823 -0.690 658 HA LEU 83 HA LEU 83 7.958 7.964 -1.130 659 1HB LEU 83 HB2 LEU 83 9.970 6.875 -2.161 660 2HB LEU 83 HB1 LEU 83 10.391 6.240 -0.569 661 HG LEU 83 HG LEU 83 7.710 5.564 -0.844 662 1HD1 LEU 83 HD12 LEU 83 8.265 6.255 -3.346 663 2HD1 LEU 83 HD11 LEU 83 8.992 4.648 -3.391 664 3HD1 LEU 83 HD13 LEU 83 7.281 4.831 -3.002 665 1HD2 LEU 83 HD23 LEU 83 9.540 4.176 0.099 666 2HD2 LEU 83 HD22 LEU 83 8.579 3.269 -1.070 667 3HD2 LEU 83 HD21 LEU 83 10.158 3.903 -1.530 668 H ILE 84 HN ILE 84 10.092 8.006 1.664 669 HA ILE 84 HA ILE 84 8.563 6.147 3.261 670 HB ILE 84 HB ILE 84 10.223 8.432 4.337 671 1HG1 ILE 84 HG12 ILE 84 11.698 7.488 2.753 672 2HG1 ILE 84 HG11 ILE 84 12.089 6.630 4.243 673 1HG2 ILE 84 HG21 ILE 84 9.492 5.656 5.298 674 2HG2 ILE 84 HG23 ILE 84 10.745 6.636 6.059 675 3HG2 ILE 84 HG22 ILE 84 9.072 7.197 6.044 676 1HD1 ILE 84 HD12 ILE 84 10.231 4.952 3.400 677 2HD1 ILE 84 HD11 ILE 84 10.609 5.651 1.825 678 3HD1 ILE 84 HD13 ILE 84 11.872 4.850 2.761 679 NH1 ARG 85 NH2 ARG 85 10.138 15.705 4.362 680 NH2 ARG 85 NH1 ARG 85 9.332 16.333 6.376 681 H ARG 85 HN ARG 85 8.371 9.631 2.709 682 HA ARG 85 HA ARG 85 6.448 10.085 4.841 683 1HB ARG 85 HB2 ARG 85 7.626 11.686 2.619 684 2HB ARG 85 HB1 ARG 85 6.084 12.232 3.279 685 1HG ARG 85 HG2 ARG 85 6.980 12.512 5.451 686 2HG ARG 85 HG1 ARG 85 8.401 11.533 5.080 687 1HD ARG 85 HD2 ARG 85 9.466 13.246 3.973 688 2HD ARG 85 HD1 ARG 85 7.955 13.960 3.411 689 HE ARG 85 HE ARG 85 7.898 14.358 6.150 690 1HH1 ARG 85 HH21 ARG 85 10.148 15.082 3.582 691 2HH1 ARG 85 HH22 ARG 85 10.756 16.491 4.375 692 1HH2 ARG 85 HH11 ARG 85 8.715 16.187 7.150 693 2HH2 ARG 85 HH12 ARG 85 9.957 17.114 6.374 694 H PHE 86 HN PHE 86 6.230 9.667 1.320 695 HA PHE 86 HA PHE 86 3.438 10.108 1.040 696 1HB PHE 86 HB2 PHE 86 5.533 9.356 -0.627 697 2HB PHE 86 HB1 PHE 86 4.465 7.954 -0.652 698 HD1 PHE 86 HD2 PHE 86 2.023 8.270 -1.225 699 HD2 PHE 86 HD1 PHE 86 4.942 11.379 -1.735 700 HE1 PHE 86 HE2 PHE 86 0.481 9.469 -2.752 701 HE2 PHE 86 HE1 PHE 86 3.400 12.577 -3.262 702 HZ PHE 86 HZ PHE 86 1.169 11.622 -3.771 703 H LEU 87 HN LEU 87 5.209 7.063 1.589 704 HA LEU 87 HA LEU 87 2.896 5.394 1.731 705 1HB LEU 87 HB2 LEU 87 5.072 4.413 1.389 706 2HB LEU 87 HB1 LEU 87 5.671 5.095 2.902 707 HG LEU 87 HG LEU 87 4.163 3.702 4.192 708 1HD1 LEU 87 HD11 LEU 87 2.927 3.330 1.522 709 2HD1 LEU 87 HD13 LEU 87 2.967 1.900 2.554 710 3HD1 LEU 87 HD12 LEU 87 2.172 3.370 3.116 711 1HD2 LEU 87 HD21 LEU 87 5.521 2.114 1.991 712 2HD2 LEU 87 HD23 LEU 87 6.289 2.684 3.471 713 3HD2 LEU 87 HD22 LEU 87 5.015 1.467 3.553 714 H LYS 88 HN LYS 88 4.725 7.112 4.267 715 HA LYS 88 HA LYS 88 3.399 6.050 6.519 716 1HB LYS 88 HB2 LYS 88 4.652 8.735 5.965 717 2HB LYS 88 HB1 LYS 88 3.868 8.406 7.511 718 1HG LYS 88 HG2 LYS 88 5.331 6.530 7.934 719 2HG LYS 88 HG1 LYS 88 6.012 6.635 6.312 720 1HD LYS 88 HD2 LYS 88 7.465 7.652 8.106 721 2HD LYS 88 HD1 LYS 88 7.039 8.765 6.805 722 1HE LYS 88 HE2 LYS 88 5.403 9.862 8.137 723 2HE LYS 88 HE1 LYS 88 5.412 8.577 9.345 724 1HZ LYS 88 HZ3 LYS 88 7.774 9.163 9.777 725 2HZ LYS 88 HZ2 LYS 88 7.584 10.513 8.764 726 3HZ LYS 88 HZ1 LYS 88 6.673 10.384 10.193 727 NH1 ARG 89 NH2 ARG 89 0.202 13.409 0.527 728 NH2 ARG 89 NH1 ARG 89 -0.976 14.450 2.150 729 H ARG 89 HN ARG 89 2.417 8.715 4.370 730 HA ARG 89 HA ARG 89 0.065 9.392 5.903 731 1HB ARG 89 HB2 ARG 89 -0.113 11.051 4.379 732 2HB ARG 89 HB1 ARG 89 1.373 10.435 3.662 733 1HG ARG 89 HG2 ARG 89 -0.008 8.885 2.260 734 2HG ARG 89 HG1 ARG 89 -1.457 9.662 2.901 735 1HD ARG 89 HD2 ARG 89 0.762 11.032 1.356 736 2HD ARG 89 HD1 ARG 89 -0.849 10.662 0.744 737 HE ARG 89 HE ARG 89 -1.328 12.178 3.013 738 1HH1 ARG 89 HH21 ARG 89 0.562 12.578 0.107 739 2HH1 ARG 89 HH22 ARG 89 0.392 14.297 0.110 740 1HH2 ARG 89 HH11 ARG 89 -1.525 14.414 2.986 741 2HH2 ARG 89 HH12 ARG 89 -0.778 15.330 1.719 742 H LEU 90 HN LEU 90 0.774 7.080 3.355 743 HA LEU 90 HA LEU 90 -2.000 6.318 2.910 744 1HB LEU 90 HB2 LEU 90 -0.082 6.011 1.261 745 2HB LEU 90 HB1 LEU 90 0.472 4.684 2.282 746 HG LEU 90 HG LEU 90 -2.209 4.109 1.979 747 1HD1 LEU 90 HD11 LEU 90 -1.134 5.181 -0.648 748 2HD1 LEU 90 HD13 LEU 90 -2.652 4.308 -0.443 749 3HD1 LEU 90 HD12 LEU 90 -2.442 5.897 0.293 750 1HD2 LEU 90 HD21 LEU 90 0.366 3.164 0.872 751 2HD2 LEU 90 HD23 LEU 90 -0.921 2.251 1.660 752 3HD2 LEU 90 HD22 LEU 90 -1.057 2.673 -0.047 753 H ASP 91 HN ASP 91 0.268 5.637 5.401 754 HA ASP 91 HA ASP 91 -0.721 2.965 6.015 755 1HB ASP 91 HB2 ASP 91 1.455 4.600 6.837 756 2HB ASP 91 HB1 ASP 91 0.515 4.222 8.282 757 NH1 ARG 92 NH2 ARG 92 -2.256 4.574 13.407 758 NH2 ARG 92 NH1 ARG 92 -2.909 6.086 14.952 759 H ARG 92 HN ARG 92 -1.419 6.262 7.070 760 HA ARG 92 HA ARG 92 -3.281 5.266 9.134 761 1HB ARG 92 HB2 ARG 92 -1.715 7.471 9.087 762 2HB ARG 92 HB1 ARG 92 -3.208 8.156 8.446 763 1HG ARG 92 HG2 ARG 92 -3.231 8.377 10.868 764 2HG ARG 92 HG1 ARG 92 -4.435 7.177 10.399 765 1HD ARG 92 HD2 ARG 92 -3.087 5.370 11.107 766 2HD ARG 92 HD1 ARG 92 -1.625 6.355 11.129 767 HE ARG 92 HE ARG 92 -3.253 7.557 13.016 768 1HH1 ARG 92 HH21 ARG 92 -2.084 4.314 12.459 769 2HH1 ARG 92 HH22 ARG 92 -2.092 3.913 14.138 770 1HH2 ARG 92 HH11 ARG 92 -3.243 6.998 15.191 771 2HH2 ARG 92 HH12 ARG 92 -2.741 5.411 15.671 772 H ASN 93 HN ASN 93 -3.347 6.487 5.859 773 HA ASN 93 HA ASN 93 -6.218 7.064 5.914 774 1HB ASN 93 HB2 ASN 93 -4.076 7.046 3.805 775 2HB ASN 93 HB1 ASN 93 -5.774 7.082 3.328 776 1HD2 ASN 93 HD22 ASN 93 -5.075 10.628 3.607 777 2HD2 ASN 93 HD21 ASN 93 -4.944 9.342 2.507 778 H LEU 94 HN LEU 94 -4.193 4.634 4.230 779 HA LEU 94 HA LEU 94 -6.280 3.042 3.202 780 1HB LEU 94 HB2 LEU 94 -3.624 2.867 3.025 781 2HB LEU 94 HB1 LEU 94 -3.853 1.687 4.316 782 HG LEU 94 HG LEU 94 -5.765 0.795 2.709 783 1HD1 LEU 94 HD13 LEU 94 -4.585 2.828 1.139 784 2HD1 LEU 94 HD12 LEU 94 -4.048 1.299 0.444 785 3HD1 LEU 94 HD11 LEU 94 -5.772 1.630 0.620 786 1HD2 LEU 94 HD22 LEU 94 -2.919 0.236 3.042 787 2HD2 LEU 94 HD21 LEU 94 -4.271 -0.890 2.925 788 3HD2 LEU 94 HD23 LEU 94 -3.507 -0.272 1.459 789 CH2 TRP 95 CH2 TRP 95 -2.219 0.474 13.155 790 H TRP 95 HN TRP 95 -4.443 2.394 6.199 791 HA TRP 95 HA TRP 95 -6.335 0.459 7.155 792 1HB TRP 95 HB2 TRP 95 -4.277 0.131 8.103 793 2HB TRP 95 HB1 TRP 95 -3.888 1.827 8.115 794 HD1 TRP 95 HD1 TRP 95 -6.940 1.558 10.245 795 HE1 TRP 95 HE1 TRP 95 -6.289 1.477 12.695 796 HE3 TRP 95 HE3 TRP 95 -2.043 0.377 9.743 797 HZ2 TRP 95 HZ2 TRP 95 -3.991 0.936 14.278 798 HZ3 TRP 95 HZ3 TRP 95 -0.623 0.055 11.767 799 HH2 TRP 95 HH2 TRP 95 -1.617 0.316 14.031 800 H GLY 96 HN GLY 96 -6.117 3.967 7.377 801 1HA GLY 96 HA2 GLY 96 -7.704 4.712 9.487 802 2HA GLY 96 HA1 GLY 96 -7.907 5.445 7.894 803 H LEU 97 HN LEU 97 -8.835 3.156 6.518 804 HA LEU 97 HA LEU 97 -11.597 2.987 7.590 805 1HB LEU 97 HB2 LEU 97 -10.322 2.359 4.927 806 2HB LEU 97 HB1 LEU 97 -11.947 1.796 5.317 807 HG LEU 97 HG LEU 97 -12.345 4.295 6.018 808 1HD1 LEU 97 HD12 LEU 97 -9.672 4.411 5.135 809 2HD1 LEU 97 HD11 LEU 97 -10.624 5.177 3.863 810 3HD1 LEU 97 HD13 LEU 97 -10.722 5.775 5.519 811 1HD2 LEU 97 HD22 LEU 97 -13.211 2.903 3.973 812 2HD2 LEU 97 HD21 LEU 97 -13.337 4.660 3.921 813 3HD2 LEU 97 HD23 LEU 97 -12.035 3.844 3.056 814 H ALA 98 HN ALA 98 -8.806 0.958 6.847 815 HA ALA 98 HA ALA 98 -10.093 -1.579 7.214 816 1HB ALA 98 HB1 ALA 98 -7.642 -0.738 6.300 817 2HB ALA 98 HB3 ALA 98 -7.222 -1.472 7.844 818 3HB ALA 98 HB2 ALA 98 -8.074 -2.407 6.631 819 H GLY 99 HN GLY 99 -7.524 -0.288 9.332 820 1HA GLY 99 HA2 GLY 99 -7.746 -0.041 11.757 821 2HA GLY 99 HA1 GLY 99 -9.114 -1.160 11.706 822 H LEU 100 HN LEU 100 -5.657 -0.907 11.517 823 HA LEU 100 HA LEU 100 -5.171 -3.751 11.297 824 1HB LEU 100 HB2 LEU 100 -3.751 -1.876 10.315 825 2HB LEU 100 HB1 LEU 100 -3.184 -1.600 11.957 826 HG LEU 100 HG LEU 100 -2.320 -3.882 12.083 827 1HD1 LEU 100 HD11 LEU 100 -4.026 -4.201 9.739 828 2HD1 LEU 100 HD13 LEU 100 -2.399 -4.823 9.463 829 3HD1 LEU 100 HD12 LEU 100 -3.358 -5.430 10.812 830 1HD2 LEU 100 HD22 LEU 100 -1.132 -1.890 10.833 831 2HD2 LEU 100 HD21 LEU 100 -0.446 -3.513 10.750 832 3HD2 LEU 100 HD23 LEU 100 -1.406 -2.890 9.409 833 H ASN 101 HN ASN 101 -6.651 -3.453 13.627 834 HA ASN 101 HA ASN 101 -4.716 -3.340 15.851 835 1HB ASN 101 HB2 ASN 101 -7.654 -3.374 15.578 836 2HB ASN 101 HB1 ASN 101 -7.063 -4.389 16.894 837 1HD2 ASN 101 HD22 ASN 101 -6.184 -0.364 17.057 838 2HD2 ASN 101 HD21 ASN 101 -6.316 -1.115 15.540 839 H SER 102 HN SER 102 -7.215 -5.846 15.509 840 HA SER 102 HA SER 102 -5.093 -7.903 15.775 841 1HB SER 102 HB2 SER 102 -7.954 -7.714 16.437 842 2HB SER 102 HB1 SER 102 -7.516 -9.234 15.661 843 HG SER 102 HG SER 102 -5.733 -9.262 17.241 844 H CYS 103 HN CYS 103 -4.212 -8.023 13.638 845 HA CYS 103 HA CYS 103 -6.132 -9.007 11.579 846 1HB CYS 103 HB2 CYS 103 -4.895 -6.473 11.549 847 2HB CYS 103 HB1 CYS 103 -4.002 -7.437 10.381 848 HA PRO 104 HA PRO 104 -2.346 -11.650 12.279 849 1HB PRO 104 HB2 PRO 104 -4.132 -13.898 12.066 850 2HB PRO 104 HB1 PRO 104 -3.221 -13.362 13.485 851 1HG PRO 104 HG2 PRO 104 -6.061 -13.137 13.027 852 2HG PRO 104 HG1 PRO 104 -5.144 -12.606 14.444 853 1HD PRO 104 HD2 PRO 104 -6.338 -10.959 12.406 854 2HD PRO 104 HD1 PRO 104 -5.387 -10.437 13.812 855 H VAL 105 HN VAL 105 -1.739 -11.007 10.118 856 HA VAL 105 HA VAL 105 -2.997 -11.589 7.689 857 HB VAL 105 HB VAL 105 -0.942 -10.300 7.698 858 1HG1 VAL 105 HG13 VAL 105 -0.065 -12.484 9.372 859 2HG1 VAL 105 HG12 VAL 105 1.073 -12.251 8.046 860 3HG1 VAL 105 HG11 VAL 105 0.689 -10.910 9.125 861 1HG2 VAL 105 HG22 VAL 105 -1.479 -12.336 5.896 862 2HG2 VAL 105 HG21 VAL 105 -0.265 -11.075 5.674 863 3HG2 VAL 105 HG23 VAL 105 0.200 -12.641 6.339 864 H LYS 106 HN LYS 106 -4.022 -13.600 7.525 865 HA LYS 106 HA LYS 106 -2.627 -16.061 8.259 866 1HB LYS 106 HB2 LYS 106 -5.336 -15.314 7.310 867 2HB LYS 106 HB1 LYS 106 -4.782 -16.924 6.853 868 1HG LYS 106 HG2 LYS 106 -4.124 -17.238 9.305 869 2HG LYS 106 HG1 LYS 106 -5.051 -15.776 9.636 870 1HD LYS 106 HD2 LYS 106 -6.305 -18.002 8.050 871 2HD LYS 106 HD1 LYS 106 -6.235 -18.113 9.810 872 1HE LYS 106 HE2 LYS 106 -7.568 -16.195 10.109 873 2HE LYS 106 HE1 LYS 106 -7.266 -15.617 8.471 874 1HZ LYS 106 HZ2 LYS 106 -8.481 -18.216 8.550 875 2HZ LYS 106 HZ1 LYS 106 -9.445 -17.016 9.271 876 3HZ LYS 106 HZ3 LYS 106 -8.928 -16.836 7.666 877 H GLU 107 HN GLU 107 -4.326 -15.618 5.164 878 HA GLU 107 HA GLU 107 -2.430 -17.222 3.741 879 1HB GLU 107 HB2 GLU 107 -4.928 -16.044 3.207 880 2HB GLU 107 HB1 GLU 107 -3.823 -15.355 2.017 881 1HG GLU 107 HG2 GLU 107 -4.533 -17.330 0.967 882 2HG GLU 107 HG1 GLU 107 -3.008 -17.816 1.709 883 H ALA 108 HN ALA 108 -0.325 -16.574 3.543 884 HA ALA 108 HA ALA 108 0.333 -14.252 1.980 885 1HB ALA 108 HB2 ALA 108 0.537 -14.047 4.974 886 2HB ALA 108 HB1 ALA 108 1.679 -13.181 3.947 887 3HB ALA 108 HB3 ALA 108 -0.049 -12.851 3.819 888 H ASP 109 HN ASP 109 2.296 -14.618 1.082 889 HA ASP 109 HA ASP 109 4.301 -16.252 2.541 890 1HB ASP 109 HB2 ASP 109 2.696 -17.340 0.521 891 2HB ASP 109 HB1 ASP 109 4.202 -16.924 -0.300 892 H GLN 110 HN GLN 110 6.498 -15.962 1.510 893 HA GLN 110 HA GLN 110 7.137 -13.283 1.034 894 1HB GLN 110 HB2 GLN 110 9.266 -14.052 0.108 895 2HB GLN 110 HB1 GLN 110 8.823 -15.053 1.489 896 1HG GLN 110 HG2 GLN 110 7.655 -16.513 -0.395 897 2HG GLN 110 HG1 GLN 110 8.865 -15.737 -1.416 898 1HE2 GLN 110 HE22 GLN 110 11.605 -17.490 0.024 899 2HE2 GLN 110 HE21 GLN 110 11.142 -16.196 -0.971 900 H SER 111 HN SER 111 6.312 -11.990 -0.514 901 HA SER 111 HA SER 111 6.209 -13.069 -3.307 902 1HB SER 111 HB2 SER 111 3.951 -12.679 -1.898 903 2HB SER 111 HB1 SER 111 4.190 -11.035 -2.484 904 HG SER 111 HG SER 111 4.433 -13.230 -4.229 905 H THR 112 HN THR 112 7.409 -11.830 -4.647 906 HA THR 112 HA THR 112 8.933 -9.615 -3.963 907 HB THR 112 HB THR 112 9.010 -9.091 -6.393 908 HG1 THR 112 HG1 THR 112 7.481 -11.252 -7.066 909 1HG2 THR 112 HG21 THR 112 9.243 -11.923 -5.397 910 2HG2 THR 112 HG23 THR 112 9.633 -11.524 -7.071 911 3HG2 THR 112 HG22 THR 112 10.525 -10.766 -5.751 912 H LEU 113 HN LEU 113 8.495 -7.537 -3.454 913 HA LEU 113 HA LEU 113 5.915 -6.497 -3.106 914 1HB LEU 113 HB2 LEU 113 7.895 -5.459 -2.099 915 2HB LEU 113 HB1 LEU 113 8.462 -4.961 -3.692 916 HG LEU 113 HG LEU 113 6.436 -3.584 -3.988 917 1HD1 LEU 113 HD11 LEU 113 5.658 -5.004 -1.519 918 2HD1 LEU 113 HD13 LEU 113 5.276 -3.284 -1.545 919 3HD1 LEU 113 HD12 LEU 113 4.650 -4.347 -2.805 920 1HD2 LEU 113 HD23 LEU 113 7.952 -3.112 -1.406 921 2HD2 LEU 113 HD22 LEU 113 8.363 -2.484 -3.000 922 3HD2 LEU 113 HD21 LEU 113 6.915 -1.911 -2.175 923 H GLU 114 HN GLU 114 7.770 -6.733 -6.063 924 HA GLU 114 HA GLU 114 6.606 -4.670 -7.593 925 1HB GLU 114 HB2 GLU 114 8.438 -5.960 -8.494 926 2HB GLU 114 HB1 GLU 114 7.489 -7.446 -8.419 927 1HG GLU 114 HG2 GLU 114 6.261 -5.218 -9.942 928 2HG GLU 114 HG1 GLU 114 7.705 -5.930 -10.661 929 H ASN 115 HN ASN 115 5.579 -8.089 -7.760 930 HA ASN 115 HA ASN 115 3.127 -7.562 -9.087 931 1HB ASN 115 HB2 ASN 115 4.452 -9.818 -8.429 932 2HB ASN 115 HB1 ASN 115 3.193 -9.853 -7.195 933 1HD2 ASN 115 HD22 ASN 115 2.246 -10.705 -11.034 934 2HD2 ASN 115 HD21 ASN 115 3.845 -10.390 -10.558 935 H PHE 116 HN PHE 116 3.963 -7.134 -5.734 936 HA PHE 116 HA PHE 116 1.263 -7.326 -4.699 937 1HB PHE 116 HB2 PHE 116 3.217 -7.567 -3.227 938 2HB PHE 116 HB1 PHE 116 3.700 -5.908 -3.581 939 HD1 PHE 116 HD1 PHE 116 1.063 -8.006 -2.011 940 HD2 PHE 116 HD2 PHE 116 2.646 -4.043 -2.513 941 HE1 PHE 116 HE1 PHE 116 -0.424 -7.182 -0.204 942 HE2 PHE 116 HE2 PHE 116 1.158 -3.221 -0.708 943 HZ PHE 116 HZ PHE 116 -0.376 -4.789 0.447 944 H LEU 117 HN LEU 117 3.281 -4.650 -5.872 945 HA LEU 117 HA LEU 117 1.328 -2.608 -5.212 946 1HB LEU 117 HB2 LEU 117 4.005 -2.711 -6.256 947 2HB LEU 117 HB1 LEU 117 3.012 -1.725 -7.331 948 HG LEU 117 HG LEU 117 4.020 -0.368 -5.518 949 1HD1 LEU 117 HD11 LEU 117 1.360 -0.402 -6.365 950 2HD1 LEU 117 HD13 LEU 117 1.251 -0.271 -4.609 951 3HD1 LEU 117 HD12 LEU 117 2.168 0.923 -5.528 952 1HD2 LEU 117 HD21 LEU 117 3.275 -2.619 -3.948 953 2HD2 LEU 117 HD23 LEU 117 4.102 -1.158 -3.410 954 3HD2 LEU 117 HD22 LEU 117 2.341 -1.246 -3.353 955 H GLU 118 HN GLU 118 1.997 -4.673 -7.972 956 HA GLU 118 HA GLU 118 0.423 -3.259 -9.903 957 1HB GLU 118 HB2 GLU 118 1.951 -4.977 -10.646 958 2HB GLU 118 HB1 GLU 118 1.152 -6.188 -9.645 959 1HG GLU 118 HG2 GLU 118 0.513 -6.266 -12.089 960 2HG GLU 118 HG1 GLU 118 -0.848 -6.084 -10.981 961 NH1 ARG 119 NH2 ARG 119 -5.204 -10.134 -9.843 962 NH2 ARG 119 NH1 ARG 119 -5.039 -11.809 -8.337 963 H ARG 119 HN ARG 119 -0.377 -6.145 -7.961 964 HA ARG 119 HA ARG 119 -3.170 -6.124 -8.636 965 1HB ARG 119 HB2 ARG 119 -1.818 -7.291 -6.181 966 2HB ARG 119 HB1 ARG 119 -3.416 -7.722 -6.793 967 1HG ARG 119 HG2 ARG 119 -1.005 -7.941 -8.582 968 2HG ARG 119 HG1 ARG 119 -1.377 -9.228 -7.432 969 1HD ARG 119 HD2 ARG 119 -3.638 -8.227 -9.087 970 2HD ARG 119 HD1 ARG 119 -2.406 -9.176 -9.921 971 HE ARG 119 HE ARG 119 -2.972 -10.672 -7.661 972 1HH1 ARG 119 HH21 ARG 119 -4.854 -9.297 -10.260 973 2HH1 ARG 119 HH22 ARG 119 -6.058 -10.534 -10.178 974 1HH2 ARG 119 HH11 ARG 119 -4.554 -12.259 -7.588 975 2HH2 ARG 119 HH12 ARG 119 -5.892 -12.196 -8.685 976 H LEU 120 HN LEU 120 -1.312 -4.231 -6.376 977 HA LEU 120 HA LEU 120 -3.487 -3.625 -4.568 978 1HB LEU 120 HB2 LEU 120 -0.802 -3.129 -4.537 979 2HB LEU 120 HB1 LEU 120 -1.424 -1.547 -4.988 980 HG LEU 120 HG LEU 120 -2.206 -3.181 -2.562 981 1HD1 LEU 120 HD11 LEU 120 -0.839 -0.492 -2.893 982 2HD1 LEU 120 HD13 LEU 120 -1.319 -1.199 -1.350 983 3HD1 LEU 120 HD12 LEU 120 -0.081 -1.981 -2.331 984 1HD2 LEU 120 HD23 LEU 120 -3.386 -0.703 -3.814 985 2HD2 LEU 120 HD22 LEU 120 -4.219 -2.146 -3.236 986 3HD2 LEU 120 HD21 LEU 120 -3.535 -1.001 -2.082 987 H LYS 121 HN LYS 121 -2.101 -1.932 -7.380 988 HA LYS 121 HA LYS 121 -3.945 0.261 -7.362 989 1HB LYS 121 HB2 LYS 121 -1.694 -0.206 -8.723 990 2HB LYS 121 HB1 LYS 121 -2.841 -0.766 -9.941 991 1HG LYS 121 HG2 LYS 121 -3.579 1.790 -8.667 992 2HG LYS 121 HG1 LYS 121 -2.093 1.852 -9.614 993 1HD LYS 121 HD2 LYS 121 -4.700 0.700 -10.642 994 2HD LYS 121 HD1 LYS 121 -4.163 2.351 -10.953 995 1HE LYS 121 HE2 LYS 121 -2.183 0.219 -11.535 996 2HE LYS 121 HE1 LYS 121 -3.587 0.276 -12.600 997 1HZ LYS 121 HZ3 LYS 121 -3.065 2.797 -12.636 998 2HZ LYS 121 HZ2 LYS 121 -1.513 2.311 -12.144 999 3HZ LYS 121 HZ1 LYS 121 -2.160 1.742 -13.608 1000 H THR 122 HN THR 122 -3.848 -2.681 -9.339 1001 HA THR 122 HA THR 122 -6.196 -2.361 -10.813 1002 HB THR 122 HB THR 122 -6.161 -5.093 -10.077 1003 HG1 THR 122 HG1 THR 122 -3.901 -5.492 -10.430 1004 1HG2 THR 122 HG23 THR 122 -5.297 -3.393 -12.368 1005 2HG2 THR 122 HG22 THR 122 -4.767 -5.074 -12.353 1006 3HG2 THR 122 HG21 THR 122 -6.489 -4.692 -12.322 1007 H ILE 123 HN ILE 123 -5.914 -3.856 -7.606 1008 HA ILE 123 HA ILE 123 -8.643 -4.484 -7.236 1009 HB ILE 123 HB ILE 123 -6.450 -3.782 -5.284 1010 1HG1 ILE 123 HG12 ILE 123 -6.313 -5.921 -6.564 1011 2HG1 ILE 123 HG11 ILE 123 -6.504 -6.184 -4.831 1012 1HG2 ILE 123 HG22 ILE 123 -9.333 -4.526 -4.763 1013 2HG2 ILE 123 HG21 ILE 123 -8.061 -4.802 -3.573 1014 3HG2 ILE 123 HG23 ILE 123 -8.426 -3.162 -4.110 1015 1HD1 ILE 123 HD11 ILE 123 -9.110 -5.964 -6.004 1016 2HD1 ILE 123 HD13 ILE 123 -8.173 -7.132 -6.935 1017 3HD1 ILE 123 HD12 ILE 123 -8.386 -7.355 -5.199 1018 H MET 124 HN MET 124 -6.900 -1.467 -6.489 1019 HA MET 124 HA MET 124 -9.068 -0.151 -5.198 1020 1HB MET 124 HB2 MET 124 -6.443 0.534 -6.041 1021 2HB MET 124 HB1 MET 124 -7.536 1.759 -6.686 1022 1HG MET 124 HG2 MET 124 -7.165 2.631 -4.582 1023 2HG MET 124 HG1 MET 124 -8.570 1.623 -4.247 1024 1HE MET 124 HE3 MET 124 -5.947 2.941 -3.050 1025 2HE MET 124 HE2 MET 124 -6.489 2.197 -1.548 1026 3HE MET 124 HE1 MET 124 -4.877 1.846 -2.166 1027 NH1 ARG 125 NH2 ARG 125 -6.981 4.404 -14.364 1028 NH2 ARG 125 NH1 ARG 125 -8.816 4.488 -15.680 1029 H ARG 125 HN ARG 125 -8.000 0.257 -8.590 1030 HA ARG 125 HA ARG 125 -10.336 1.765 -9.327 1031 1HB ARG 125 HB2 ARG 125 -7.898 1.235 -10.488 1032 2HB ARG 125 HB1 ARG 125 -9.005 0.305 -11.500 1033 1HG ARG 125 HG2 ARG 125 -10.291 2.227 -12.046 1034 2HG ARG 125 HG1 ARG 125 -9.562 3.178 -10.751 1035 1HD ARG 125 HD2 ARG 125 -7.738 3.701 -11.998 1036 2HD ARG 125 HD1 ARG 125 -7.618 2.075 -12.670 1037 HE ARG 125 HE ARG 125 -9.852 3.147 -13.909 1038 1HH1 ARG 125 HH21 ARG 125 -6.518 4.105 -13.532 1039 2HH1 ARG 125 HH22 ARG 125 -6.486 4.952 -15.037 1040 1HH2 ARG 125 HH11 ARG 125 -9.771 4.249 -15.856 1041 2HH2 ARG 125 HH12 ARG 125 -8.307 5.035 -16.344 1042 H GLU 126 HN GLU 126 -10.056 -1.562 -8.681 1043 HA GLU 126 HA GLU 126 -11.988 -2.390 -10.734 1044 1HB GLU 126 HB2 GLU 126 -10.096 -3.850 -9.868 1045 2HB GLU 126 HB1 GLU 126 -11.014 -4.005 -8.371 1046 1HG GLU 126 HG2 GLU 126 -11.681 -5.884 -9.638 1047 2HG GLU 126 HG1 GLU 126 -12.985 -4.722 -9.886 1048 H LYS 127 HN LYS 127 -11.978 -2.247 -7.140 1049 HA LYS 127 HA LYS 127 -14.896 -2.678 -7.161 1050 1HB LYS 127 HB2 LYS 127 -12.836 -3.298 -5.371 1051 2HB LYS 127 HB1 LYS 127 -13.779 -2.046 -4.561 1052 1HG LYS 127 HG2 LYS 127 -15.219 -4.289 -5.936 1053 2HG LYS 127 HG1 LYS 127 -14.497 -4.581 -4.354 1054 1HD LYS 127 HD2 LYS 127 -16.143 -3.444 -3.319 1055 2HD LYS 127 HD1 LYS 127 -15.920 -2.053 -4.382 1056 1HE LYS 127 HE2 LYS 127 -17.207 -3.379 -6.151 1057 2HE LYS 127 HE1 LYS 127 -17.641 -4.495 -4.858 1058 1HZ LYS 127 HZ1 LYS 127 -18.043 -1.735 -4.171 1059 2HZ LYS 127 HZ3 LYS 127 -18.980 -2.231 -5.494 1060 3HZ LYS 127 HZ2 LYS 127 -19.097 -3.058 -4.014 1061 OH TYR 128 OH TYR 128 -11.430 0.700 -0.813 1062 H TYR 128 HN TYR 128 -12.735 0.027 -7.011 1063 HA TYR 128 HA TYR 128 -14.768 1.717 -5.703 1064 1HB TYR 128 HB2 TYR 128 -11.973 2.307 -6.704 1065 2HB TYR 128 HB1 TYR 128 -13.034 3.531 -6.004 1066 HD1 TYR 128 HD2 TYR 128 -14.401 2.276 -3.856 1067 HD2 TYR 128 HD1 TYR 128 -10.341 1.677 -5.122 1068 HE1 TYR 128 HE2 TYR 128 -13.815 1.490 -1.586 1069 HE2 TYR 128 HE1 TYR 128 -9.757 0.887 -2.844 1070 HH TYR 128 HH TYR 128 -12.159 0.918 -0.228 1071 H SER 129 HN SER 129 -14.850 0.513 -8.621 1072 HA SER 129 HA SER 129 -15.189 3.031 -10.132 1073 1HB SER 129 HB2 SER 129 -14.349 0.514 -10.877 1074 2HB SER 129 HB1 SER 129 -16.025 0.524 -11.421 1075 HG SER 129 HG SER 129 -15.211 2.825 -12.127 1076 H LYS 130 HN LYS 130 -17.046 1.870 -7.851 1077 HA LYS 130 HA LYS 130 -19.540 2.604 -9.249 1078 1HB LYS 130 HB2 LYS 130 -18.904 -0.127 -8.205 1079 2HB LYS 130 HB1 LYS 130 -20.544 0.483 -7.984 1080 1HG LYS 130 HG2 LYS 130 -20.703 0.941 -10.403 1081 2HG LYS 130 HG1 LYS 130 -19.066 0.321 -10.626 1082 1HD LYS 130 HD2 LYS 130 -19.704 -1.866 -10.337 1083 2HD LYS 130 HD1 LYS 130 -20.982 -1.450 -9.194 1084 1HE LYS 130 HE2 LYS 130 -22.041 -2.213 -11.228 1085 2HE LYS 130 HE1 LYS 130 -22.278 -0.470 -11.122 1086 1HZ LYS 130 HZ2 LYS 130 -19.874 -1.392 -12.485 1087 2HZ LYS 130 HZ1 LYS 130 -21.349 -1.651 -13.288 1088 3HZ LYS 130 HZ3 LYS 130 -20.891 -0.080 -12.842 1089 H CYS 131 HN CYS 131 -17.951 3.859 -7.137 1090 HA CYS 131 HA CYS 131 -19.358 3.322 -4.624 1091 1HB CYS 131 HB2 CYS 131 -16.983 4.083 -4.665 1092 2HB CYS 131 HB1 CYS 131 -17.516 5.625 -5.335 1093 H SER 132 HN SER 132 -18.996 6.391 -6.441 1094 HA SER 132 HA SER 132 -21.800 7.030 -5.631 1095 1HB SER 132 HB2 SER 132 -19.954 9.121 -6.703 1096 2HB SER 132 HB1 SER 132 -21.209 9.258 -5.475 1097 HG SER 132 HG SER 132 -19.337 9.297 -4.355 1098 H SER 133 HN SER 133 -23.293 7.585 -7.220 1099 HA SER 133 HA SER 133 -22.508 8.176 -9.954 1100 1HB SER 133 HB2 SER 133 -22.818 5.421 -9.219 1101 2HB SER 133 HB1 SER 133 -24.148 5.870 -10.285 1102 HG SER 133 HG SER 133 -22.423 5.277 -11.558 Start of MODEL 18 Raw file had 1102 H/Q atoms Start of MODEL 18 1 1H GLU 1 HT2 GLU 1 -25.762 16.459 10.281 2 2H GLU 1 HT1 GLU 1 -26.565 17.826 9.668 3 3H GLU 1 HT3 GLU 1 -26.905 16.290 9.034 4 HA GLU 1 HA GLU 1 -25.115 16.266 7.702 5 1HB GLU 1 HB2 GLU 1 -25.063 19.225 8.347 6 2HB GLU 1 HB1 GLU 1 -24.628 18.449 6.823 7 1HG GLU 1 HG2 GLU 1 -27.379 18.692 8.059 8 2HG GLU 1 HG1 GLU 1 -26.830 19.326 6.506 9 H ALA 2 HN ALA 2 -24.057 15.322 9.956 10 HA ALA 2 HA ALA 2 -21.456 16.775 10.169 11 1HB ALA 2 HB1 ALA 2 -22.999 17.077 12.202 12 2HB ALA 2 HB3 ALA 2 -22.743 15.359 12.509 13 3HB ALA 2 HB2 ALA 2 -21.376 16.472 12.530 14 H GLU 3 HN GLU 3 -22.174 14.511 8.501 15 HA GLU 3 HA GLU 3 -20.008 12.732 9.201 16 1HB GLU 3 HB2 GLU 3 -21.709 11.919 10.810 17 2HB GLU 3 HB1 GLU 3 -22.826 11.638 9.474 18 1HG GLU 3 HG2 GLU 3 -21.907 9.614 9.144 19 2HG GLU 3 HG1 GLU 3 -20.359 10.387 8.796 20 H ALA 4 HN ALA 4 -19.381 11.576 7.378 21 HA ALA 4 HA ALA 4 -21.213 11.762 5.019 22 1HB ALA 4 HB2 ALA 4 -18.602 12.805 5.337 23 2HB ALA 4 HB1 ALA 4 -18.450 11.413 4.264 24 3HB ALA 4 HB3 ALA 4 -19.549 12.729 3.851 25 H HIS 5 HN HIS 5 -20.455 10.042 3.293 26 HA HIS 5 HA HIS 5 -20.659 7.443 4.593 27 1HB HIS 5 HB2 HIS 5 -20.525 8.408 1.747 28 2HB HIS 5 HB1 HIS 5 -20.309 6.694 2.101 29 HD1 HIS 5 HD1 HIS 5 -22.319 6.106 4.218 30 HD2 HIS 5 HD2 HIS 5 -23.184 8.695 1.066 31 HE1 HIS 5 HE1 HIS 5 -24.843 6.184 4.027 32 H LYS 6 HN LYS 6 -19.055 5.715 3.310 33 HA LYS 6 HA LYS 6 -16.335 6.611 4.119 34 1HB LYS 6 HB2 LYS 6 -17.749 4.002 3.969 35 2HB LYS 6 HB1 LYS 6 -16.007 4.000 3.694 36 1HG LYS 6 HG2 LYS 6 -15.723 4.051 5.931 37 2HG LYS 6 HG1 LYS 6 -16.404 5.679 5.917 38 1HD LYS 6 HD2 LYS 6 -18.066 4.844 7.198 39 2HD LYS 6 HD1 LYS 6 -18.644 4.043 5.738 40 1HE LYS 6 HE2 LYS 6 -16.500 2.781 7.436 41 2HE LYS 6 HE1 LYS 6 -18.205 2.584 7.844 42 1HZ LYS 6 HZ2 LYS 6 -17.312 2.085 5.088 43 2HZ LYS 6 HZ1 LYS 6 -17.044 0.898 6.274 44 3HZ LYS 6 HZ3 LYS 6 -18.624 1.414 5.935 45 H CYS 7 HN CYS 7 -17.528 7.383 1.617 46 HA CYS 7 HA CYS 7 -15.394 6.432 -0.191 47 1HB CYS 7 HB2 CYS 7 -17.484 4.943 -0.435 48 2HB CYS 7 HB1 CYS 7 -18.267 6.362 -1.129 49 H ASP 8 HN ASP 8 -15.952 8.972 1.098 50 HA ASP 8 HA ASP 8 -17.042 10.670 -1.056 51 1HB ASP 8 HB2 ASP 8 -15.999 11.383 1.703 52 2HB ASP 8 HB1 ASP 8 -16.779 12.505 0.585 53 H ILE 9 HN ILE 9 -14.583 12.373 0.605 54 HA ILE 9 HA ILE 9 -12.939 12.300 -1.838 55 HB ILE 9 HB ILE 9 -13.222 14.119 0.514 56 1HG1 ILE 9 HG12 ILE 9 -12.605 15.472 -1.878 57 2HG1 ILE 9 HG11 ILE 9 -13.640 14.126 -2.354 58 1HG2 ILE 9 HG22 ILE 9 -10.715 13.794 -1.147 59 2HG2 ILE 9 HG21 ILE 9 -11.097 15.281 -0.278 60 3HG2 ILE 9 HG23 ILE 9 -10.854 13.778 0.611 61 1HD1 ILE 9 HD12 ILE 9 -14.410 15.731 0.051 62 2HD1 ILE 9 HD11 ILE 9 -14.701 16.418 -1.547 63 3HD1 ILE 9 HD13 ILE 9 -15.438 14.879 -1.100 64 H THR 10 HN THR 10 -12.906 10.872 1.308 65 HA THR 10 HA THR 10 -10.050 10.669 1.634 66 HB THR 10 HB THR 10 -12.225 8.850 2.702 67 HG1 THR 10 HG1 THR 10 -12.593 10.387 4.066 68 1HG2 THR 10 HG22 THR 10 -9.333 9.291 3.488 69 2HG2 THR 10 HG21 THR 10 -10.495 8.405 4.475 70 3HG2 THR 10 HG23 THR 10 -10.051 7.800 2.878 71 H LEU 11 HN LEU 11 -12.459 8.650 0.007 72 HA LEU 11 HA LEU 11 -10.576 6.494 -0.524 73 1HB LEU 11 HB2 LEU 11 -13.404 7.086 -1.094 74 2HB LEU 11 HB1 LEU 11 -12.591 6.164 -2.358 75 HG LEU 11 HG LEU 11 -13.657 4.760 -0.536 76 1HD1 LEU 11 HD12 LEU 11 -11.745 4.019 -2.016 77 2HD1 LEU 11 HD11 LEU 11 -10.646 4.481 -0.715 78 3HD1 LEU 11 HD13 LEU 11 -11.827 3.196 -0.459 79 1HD2 LEU 11 HD23 LEU 11 -12.898 6.419 1.277 80 2HD2 LEU 11 HD22 LEU 11 -12.688 4.706 1.639 81 3HD2 LEU 11 HD21 LEU 11 -11.305 5.675 1.133 82 H GLN 12 HN GLN 12 -12.046 9.038 -2.588 83 HA GLN 12 HA GLN 12 -10.684 8.365 -4.977 84 1HB GLN 12 HB2 GLN 12 -11.503 11.110 -3.983 85 2HB GLN 12 HB1 GLN 12 -11.084 10.715 -5.650 86 1HG GLN 12 HG2 GLN 12 -12.931 9.039 -5.681 87 2HG GLN 12 HG1 GLN 12 -13.384 9.550 -4.055 88 1HE2 GLN 12 HE22 GLN 12 -14.749 12.683 -5.142 89 2HE2 GLN 12 HE21 GLN 12 -14.058 11.885 -3.811 90 H GLU 13 HN GLU 13 -9.696 10.637 -2.416 91 HA GLU 13 HA GLU 13 -7.236 11.431 -3.611 92 1HB GLU 13 HB2 GLU 13 -8.415 12.426 -1.547 93 2HB GLU 13 HB1 GLU 13 -7.643 11.131 -0.632 94 1HG GLU 13 HG2 GLU 13 -5.532 12.006 -0.903 95 2HG GLU 13 HG1 GLU 13 -5.913 12.711 -2.474 96 H ILE 14 HN ILE 14 -8.007 8.773 -1.379 97 HA ILE 14 HA ILE 14 -5.344 7.805 -1.054 98 HB ILE 14 HB ILE 14 -8.080 6.839 -0.552 99 1HG1 ILE 14 HG12 ILE 14 -5.575 6.121 0.956 100 2HG1 ILE 14 HG11 ILE 14 -6.220 7.762 1.038 101 1HG2 ILE 14 HG23 ILE 14 -5.832 4.911 -1.194 102 2HG2 ILE 14 HG22 ILE 14 -7.245 4.461 -0.240 103 3HG2 ILE 14 HG21 ILE 14 -7.440 4.966 -1.918 104 1HD1 ILE 14 HD12 ILE 14 -8.438 6.048 1.368 105 2HD1 ILE 14 HD11 ILE 14 -7.157 5.379 2.378 106 3HD1 ILE 14 HD13 ILE 14 -7.674 7.050 2.603 107 H ILE 15 HN ILE 15 -7.627 7.477 -3.683 108 HA ILE 15 HA ILE 15 -6.370 5.184 -4.916 109 HB ILE 15 HB ILE 15 -8.336 7.278 -5.817 110 1HG1 ILE 15 HG12 ILE 15 -8.567 4.270 -5.911 111 2HG1 ILE 15 HG11 ILE 15 -8.864 5.158 -4.415 112 1HG2 ILE 15 HG22 ILE 15 -6.910 5.224 -7.520 113 2HG2 ILE 15 HG21 ILE 15 -8.453 5.945 -7.980 114 3HG2 ILE 15 HG23 ILE 15 -7.025 6.963 -7.796 115 1HD1 ILE 15 HD13 ILE 15 -10.278 6.578 -6.372 116 2HD1 ILE 15 HD12 ILE 15 -10.571 4.880 -6.751 117 3HD1 ILE 15 HD11 ILE 15 -10.965 5.507 -5.151 118 H LYS 16 HN LYS 16 -6.165 8.710 -5.498 119 HA LYS 16 HA LYS 16 -4.298 8.560 -7.650 120 1HB LYS 16 HB2 LYS 16 -4.819 10.711 -5.586 121 2HB LYS 16 HB1 LYS 16 -3.690 10.922 -6.925 122 1HG LYS 16 HG2 LYS 16 -5.360 11.241 -8.413 123 2HG LYS 16 HG1 LYS 16 -6.274 9.862 -7.797 124 1HD LYS 16 HD2 LYS 16 -7.667 11.680 -7.273 125 2HD LYS 16 HD1 LYS 16 -6.789 11.413 -5.767 126 1HE LYS 16 HE2 LYS 16 -5.914 13.482 -5.867 127 2HE LYS 16 HE1 LYS 16 -5.245 13.148 -7.464 128 1HZ LYS 16 HZ1 LYS 16 -8.114 13.704 -7.229 129 2HZ LYS 16 HZ3 LYS 16 -7.030 15.005 -7.120 130 3HZ LYS 16 HZ2 LYS 16 -7.050 14.031 -8.513 131 H THR 17 HN THR 17 -3.782 8.836 -4.141 132 HA THR 17 HA THR 17 -0.935 9.034 -4.252 133 HB THR 17 HB THR 17 -2.167 7.559 -1.974 134 HG1 THR 17 HG1 THR 17 -3.011 9.592 -1.228 135 1HG2 THR 17 HG23 THR 17 0.186 8.323 -1.968 136 2HG2 THR 17 HG22 THR 17 -0.363 9.984 -2.189 137 3HG2 THR 17 HG21 THR 17 -0.754 9.118 -0.704 138 H LEU 18 HN LEU 18 -3.105 6.223 -4.150 139 HA LEU 18 HA LEU 18 -1.170 4.200 -3.758 140 1HB LEU 18 HB2 LEU 18 -3.834 4.163 -4.107 141 2HB LEU 18 HB1 LEU 18 -3.348 3.688 -5.733 142 HG LEU 18 HG LEU 18 -3.529 1.634 -4.597 143 1HD1 LEU 18 HD13 LEU 18 -1.289 2.038 -5.728 144 2HD1 LEU 18 HD12 LEU 18 -0.629 2.338 -4.120 145 3HD1 LEU 18 HD11 LEU 18 -1.309 0.761 -4.514 146 1HD2 LEU 18 HD23 LEU 18 -3.046 3.259 -2.302 147 2HD2 LEU 18 HD22 LEU 18 -3.599 1.584 -2.351 148 3HD2 LEU 18 HD21 LEU 18 -1.873 1.942 -2.283 149 H ASN 19 HN ASN 19 -2.367 5.570 -6.841 150 HA ASN 19 HA ASN 19 -0.620 4.051 -8.515 151 1HB ASN 19 HB2 ASN 19 -1.982 6.725 -8.912 152 2HB ASN 19 HB1 ASN 19 -1.060 5.917 -10.182 153 1HD2 ASN 19 HD22 ASN 19 -3.984 4.164 -11.077 154 2HD2 ASN 19 HD21 ASN 19 -2.698 5.154 -11.575 155 H SER 20 HN SER 20 -0.157 7.082 -6.768 156 HA SER 20 HA SER 20 2.269 7.858 -8.104 157 1HB SER 20 HB2 SER 20 1.058 8.531 -5.425 158 2HB SER 20 HB1 SER 20 2.640 9.148 -5.894 159 HG SER 20 HG SER 20 1.305 9.672 -7.951 160 H LEU 21 HN LEU 21 1.574 5.618 -5.493 161 HA LEU 21 HA LEU 21 4.340 5.391 -4.619 162 1HB LEU 21 HB2 LEU 21 1.789 3.903 -4.070 163 2HB LEU 21 HB1 LEU 21 3.330 3.186 -3.595 164 HG LEU 21 HG LEU 21 3.135 6.020 -2.883 165 1HD1 LEU 21 HD11 LEU 21 0.734 5.282 -2.649 166 2HD1 LEU 21 HD13 LEU 21 1.278 4.079 -1.479 167 3HD1 LEU 21 HD12 LEU 21 1.481 5.797 -1.136 168 1HD2 LEU 21 HD21 LEU 21 4.492 3.717 -2.067 169 2HD2 LEU 21 HD23 LEU 21 4.542 5.288 -1.270 170 3HD2 LEU 21 HD22 LEU 21 3.393 4.064 -0.733 171 H THR 22 HN THR 22 2.378 3.896 -7.100 172 HA THR 22 HA THR 22 4.185 1.629 -7.473 173 HB THR 22 HB THR 22 2.796 1.486 -9.687 174 HG1 THR 22 HG1 THR 22 1.381 2.997 -9.913 175 1HG2 THR 22 HG23 THR 22 2.566 0.256 -7.365 176 2HG2 THR 22 HG22 THR 22 1.119 1.253 -7.215 177 3HG2 THR 22 HG21 THR 22 1.279 0.130 -8.566 178 H GLU 23 HN GLU 23 4.468 4.902 -8.258 179 HA GLU 23 HA GLU 23 5.447 4.900 -10.901 180 1HB GLU 23 HB2 GLU 23 5.097 6.867 -9.207 181 2HB GLU 23 HB1 GLU 23 6.777 6.552 -8.770 182 1HG GLU 23 HG2 GLU 23 7.513 6.921 -11.040 183 2HG GLU 23 HG1 GLU 23 5.849 7.010 -11.617 184 H GLN 24 HN GLN 24 7.026 3.904 -7.908 185 HA GLN 24 HA GLN 24 9.405 3.112 -9.541 186 1HB GLN 24 HB2 GLN 24 9.423 4.821 -7.421 187 2HB GLN 24 HB1 GLN 24 9.707 3.287 -6.602 188 1HG GLN 24 HG2 GLN 24 11.804 3.118 -7.429 189 2HG GLN 24 HG1 GLN 24 11.276 3.547 -9.056 190 1HE2 GLN 24 HE22 GLN 24 13.136 6.532 -8.523 191 2HE2 GLN 24 HE21 GLN 24 13.094 5.042 -9.336 192 H LYS 25 HN LYS 25 7.947 1.188 -9.943 193 HA LYS 25 HA LYS 25 8.054 -0.718 -7.652 194 1HB LYS 25 HB2 LYS 25 6.252 -1.964 -8.762 195 2HB LYS 25 HB1 LYS 25 5.775 -0.288 -8.506 196 1HG LYS 25 HG2 LYS 25 6.854 -0.042 -10.963 197 2HG LYS 25 HG1 LYS 25 6.353 -1.728 -11.047 198 1HD LYS 25 HD2 LYS 25 4.236 -0.246 -9.832 199 2HD LYS 25 HD1 LYS 25 4.726 0.604 -11.298 200 1HE LYS 25 HE2 LYS 25 4.493 -2.352 -11.503 201 2HE LYS 25 HE1 LYS 25 2.984 -1.456 -11.331 202 1HZ LYS 25 HZ2 LYS 25 3.811 -0.001 -13.171 203 2HZ LYS 25 HZ1 LYS 25 5.062 -1.123 -13.418 204 3HZ LYS 25 HZ3 LYS 25 3.446 -1.596 -13.629 205 H THR 26 HN THR 26 10.410 -0.905 -8.382 206 HA THR 26 HA THR 26 10.670 -3.333 -9.959 207 HB THR 26 HB THR 26 11.507 -0.676 -11.117 208 HG1 THR 26 HG1 THR 26 9.727 -1.291 -12.095 209 1HG2 THR 26 HG23 THR 26 12.799 -3.358 -11.397 210 2HG2 THR 26 HG22 THR 26 12.667 -2.340 -12.830 211 3HG2 THR 26 HG21 THR 26 13.532 -1.754 -11.410 212 H LEU 27 HN LEU 27 12.441 -0.489 -8.713 213 HA LEU 27 HA LEU 27 14.765 -2.206 -8.115 214 1HB LEU 27 HB2 LEU 27 14.863 0.216 -9.027 215 2HB LEU 27 HB1 LEU 27 14.480 0.706 -7.377 216 HG LEU 27 HG LEU 27 16.605 -1.307 -7.496 217 1HD1 LEU 27 HD12 LEU 27 16.797 0.303 -9.620 218 2HD1 LEU 27 HD11 LEU 27 17.480 1.398 -8.418 219 3HD1 LEU 27 HD13 LEU 27 18.223 -0.177 -8.699 220 1HD2 LEU 27 HD21 LEU 27 16.025 1.326 -6.177 221 2HD2 LEU 27 HD23 LEU 27 16.401 -0.231 -5.440 222 3HD2 LEU 27 HD22 LEU 27 17.683 0.725 -6.183 223 H CYS 28 HN CYS 28 12.339 -0.298 -6.340 224 HA CYS 28 HA CYS 28 13.455 -1.270 -3.782 225 1HB CYS 28 HB2 CYS 28 11.624 0.883 -4.618 226 2HB CYS 28 HB1 CYS 28 11.172 0.088 -3.110 227 H THR 29 HN THR 29 10.892 -2.079 -5.984 228 HA THR 29 HA THR 29 9.395 -3.577 -3.941 229 HB THR 29 HB THR 29 7.896 -4.165 -5.826 230 HG1 THR 29 HG1 THR 29 10.061 -3.424 -7.216 231 1HG2 THR 29 HG23 THR 29 8.663 -1.243 -5.614 232 2HG2 THR 29 HG22 THR 29 7.144 -1.845 -6.276 233 3HG2 THR 29 HG21 THR 29 7.525 -2.097 -4.573 234 H GLU 30 HN GLU 30 12.246 -4.269 -5.182 235 HA GLU 30 HA GLU 30 11.701 -6.978 -6.193 236 1HB GLU 30 HB2 GLU 30 14.129 -7.095 -6.523 237 2HB GLU 30 HB1 GLU 30 13.511 -5.578 -7.175 238 1HG GLU 30 HG2 GLU 30 14.177 -4.417 -5.094 239 2HG GLU 30 HG1 GLU 30 14.822 -5.925 -4.461 240 H LEU 31 HN LEU 31 10.772 -6.704 -3.531 241 HA LEU 31 HA LEU 31 12.824 -8.131 -1.949 242 1HB LEU 31 HB2 LEU 31 10.286 -6.773 -1.007 243 2HB LEU 31 HB1 LEU 31 11.566 -7.431 0.014 244 HG LEU 31 HG LEU 31 12.573 -5.527 -1.973 245 1HD1 LEU 31 HD11 LEU 31 10.619 -4.575 0.146 246 2HD1 LEU 31 HD13 LEU 31 11.647 -3.529 -0.833 247 3HD1 LEU 31 HD12 LEU 31 10.377 -4.484 -1.599 248 1HD2 LEU 31 HD21 LEU 31 12.739 -5.923 1.022 249 2HD2 LEU 31 HD23 LEU 31 13.995 -6.204 -0.183 250 3HD2 LEU 31 HD22 LEU 31 13.509 -4.556 0.214 251 H THR 32 HN THR 32 10.286 -8.919 -0.300 252 HA THR 32 HA THR 32 8.847 -10.773 -1.979 253 HB THR 32 HB THR 32 9.715 -12.749 -0.522 254 HG1 THR 32 HG1 THR 32 12.051 -11.182 -0.599 255 1HG2 THR 32 HG21 THR 32 10.073 -12.118 -3.069 256 2HG2 THR 32 HG23 THR 32 11.734 -11.867 -2.535 257 3HG2 THR 32 HG22 THR 32 10.973 -13.444 -2.335 258 H VAL 33 HN VAL 33 7.625 -9.107 -0.909 259 HA VAL 33 HA VAL 33 6.934 -9.657 1.883 260 HB VAL 33 HB VAL 33 5.432 -7.750 1.673 261 1HG1 VAL 33 HG13 VAL 33 8.062 -7.538 1.722 262 2HG1 VAL 33 HG12 VAL 33 7.838 -6.894 0.095 263 3HG1 VAL 33 HG11 VAL 33 7.067 -6.103 1.470 264 1HG2 VAL 33 HG22 VAL 33 5.827 -8.320 -1.219 265 2HG2 VAL 33 HG21 VAL 33 4.400 -7.718 -0.377 266 3HG2 VAL 33 HG23 VAL 33 5.721 -6.619 -0.768 267 H THR 34 HN THR 34 5.500 -11.051 2.373 268 HA THR 34 HA THR 34 4.133 -12.940 1.007 269 HB THR 34 HB THR 34 3.561 -11.488 3.509 270 HG1 THR 34 HG1 THR 34 3.734 -14.136 2.580 271 1HG2 THR 34 HG23 THR 34 1.372 -12.940 2.000 272 2HG2 THR 34 HG22 THR 34 1.324 -12.662 3.738 273 3HG2 THR 34 HG21 THR 34 1.332 -11.292 2.632 274 H ASP 35 HN ASP 35 2.551 -13.044 -0.522 275 HA ASP 35 HA ASP 35 1.266 -10.571 -1.432 276 1HB ASP 35 HB2 ASP 35 1.932 -12.947 -2.672 277 2HB ASP 35 HB1 ASP 35 0.193 -13.126 -2.441 278 H ILE 36 HN ILE 36 -1.171 -10.414 -1.480 279 HA ILE 36 HA ILE 36 -2.475 -12.168 0.525 280 HB ILE 36 HB ILE 36 -3.172 -10.445 1.940 281 1HG1 ILE 36 HG12 ILE 36 -2.667 -8.672 -0.444 282 2HG1 ILE 36 HG11 ILE 36 -4.128 -8.821 0.533 283 1HG2 ILE 36 HG21 ILE 36 -0.653 -10.844 1.912 284 2HG2 ILE 36 HG23 ILE 36 -0.522 -9.349 0.985 285 3HG2 ILE 36 HG22 ILE 36 -1.181 -9.320 2.622 286 1HD1 ILE 36 HD12 ILE 36 -2.780 -7.872 2.474 287 2HD1 ILE 36 HD11 ILE 36 -1.531 -7.475 1.296 288 3HD1 ILE 36 HD13 ILE 36 -3.129 -6.743 1.165 289 H PHE 37 HN PHE 37 -2.661 -11.833 -2.405 290 HA PHE 37 HA PHE 37 -5.577 -11.171 -2.540 291 1HB PHE 37 HB2 PHE 37 -3.471 -10.678 -4.672 292 2HB PHE 37 HB1 PHE 37 -5.202 -10.412 -4.872 293 HD1 PHE 37 HD2 PHE 37 -6.354 -8.605 -3.675 294 HD2 PHE 37 HD1 PHE 37 -2.117 -9.198 -3.300 295 HE1 PHE 37 HE2 PHE 37 -6.127 -6.350 -2.669 296 HE2 PHE 37 HE1 PHE 37 -1.889 -6.943 -2.296 297 HZ PHE 37 HZ PHE 37 -3.895 -5.520 -1.978 298 H ALA 38 HN ALA 38 -4.123 -13.754 -2.108 299 HA ALA 38 HA ALA 38 -3.978 -15.330 -4.443 300 1HB ALA 38 HB1 ALA 38 -4.202 -15.807 -1.566 301 2HB ALA 38 HB3 ALA 38 -4.994 -17.060 -2.521 302 3HB ALA 38 HB2 ALA 38 -3.288 -16.700 -2.782 303 H ALA 39 HN ALA 39 -6.783 -14.327 -2.561 304 HA ALA 39 HA ALA 39 -8.535 -15.045 -4.795 305 1HB ALA 39 HB3 ALA 39 -8.301 -17.194 -3.531 306 2HB ALA 39 HB2 ALA 39 -8.948 -16.383 -2.105 307 3HB ALA 39 HB1 ALA 39 -9.954 -16.578 -3.541 308 H SER 40 HN SER 40 -10.933 -14.578 -4.019 309 HA SER 40 HA SER 40 -10.874 -12.253 -2.140 310 1HB SER 40 HB2 SER 40 -11.160 -11.926 -4.803 311 2HB SER 40 HB1 SER 40 -12.839 -12.233 -4.376 312 HG SER 40 HG SER 40 -12.820 -10.207 -3.810 313 H LYS 41 HN LYS 41 -11.882 -13.230 -0.393 314 HA LYS 41 HA LYS 41 -14.607 -14.340 -0.919 315 1HB LYS 41 HB2 LYS 41 -12.365 -15.724 0.130 316 2HB LYS 41 HB1 LYS 41 -13.466 -15.449 1.482 317 1HG LYS 41 HG2 LYS 41 -15.276 -16.205 -0.335 318 2HG LYS 41 HG1 LYS 41 -13.880 -17.047 -1.005 319 1HD LYS 41 HD2 LYS 41 -14.073 -18.641 0.567 320 2HD LYS 41 HD1 LYS 41 -13.871 -17.427 1.830 321 1HE LYS 41 HE2 LYS 41 -16.351 -16.878 1.489 322 2HE LYS 41 HE1 LYS 41 -16.441 -18.370 0.553 323 1HZ LYS 41 HZ1 LYS 41 -15.083 -19.007 2.865 324 2HZ LYS 41 HZ3 LYS 41 -16.374 -18.027 3.367 325 3HZ LYS 41 HZ2 LYS 41 -16.678 -19.435 2.465 326 H ASP 42 HN ASP 42 -12.771 -13.678 2.079 327 HA ASP 42 HA ASP 42 -15.063 -11.973 2.937 328 1HB ASP 42 HB2 ASP 42 -13.536 -13.981 4.258 329 2HB ASP 42 HB1 ASP 42 -13.191 -12.445 5.055 330 H THR 43 HN THR 43 -12.462 -11.297 1.280 331 HA THR 43 HA THR 43 -11.704 -8.965 2.986 332 HB THR 43 HB THR 43 -9.603 -8.890 1.708 333 HG1 THR 43 HG1 THR 43 -10.326 -11.390 0.625 334 1HG2 THR 43 HG21 THR 43 -10.335 -10.780 3.648 335 2HG2 THR 43 HG23 THR 43 -9.427 -11.692 2.442 336 3HG2 THR 43 HG22 THR 43 -8.695 -10.290 3.221 337 H THR 44 HN THR 44 -12.935 -7.319 2.286 338 HA THR 44 HA THR 44 -13.453 -7.065 -0.613 339 HB THR 44 HB THR 44 -14.842 -5.002 0.544 340 HG1 THR 44 HG1 THR 44 -15.291 -5.475 2.536 341 1HG2 THR 44 HG22 THR 44 -15.397 -7.354 -0.825 342 2HG2 THR 44 HG21 THR 44 -16.310 -7.528 0.673 343 3HG2 THR 44 HG23 THR 44 -16.577 -6.127 -0.364 344 H GLU 45 HN GLU 45 -13.276 -4.299 1.561 345 HA GLU 45 HA GLU 45 -10.847 -3.417 0.070 346 1HB GLU 45 HB2 GLU 45 -11.806 -1.060 0.246 347 2HB GLU 45 HB1 GLU 45 -12.618 -2.123 -0.899 348 1HG GLU 45 HG2 GLU 45 -14.266 -2.676 0.960 349 2HG GLU 45 HG1 GLU 45 -13.541 -1.353 1.876 350 H LYS 46 HN LYS 46 -12.902 -2.876 2.930 351 HA LYS 46 HA LYS 46 -10.835 -1.528 4.420 352 1HB LYS 46 HB2 LYS 46 -12.307 -1.822 6.335 353 2HB LYS 46 HB1 LYS 46 -13.293 -1.397 4.938 354 1HG LYS 46 HG2 LYS 46 -13.503 -3.968 4.597 355 2HG LYS 46 HG1 LYS 46 -12.975 -4.075 6.277 356 1HD LYS 46 HD2 LYS 46 -15.023 -3.500 7.010 357 2HD LYS 46 HD1 LYS 46 -15.006 -2.039 6.019 358 1HE LYS 46 HE2 LYS 46 -15.546 -4.722 4.766 359 2HE LYS 46 HE1 LYS 46 -16.845 -3.829 5.558 360 1HZ LYS 46 HZ3 LYS 46 -15.365 -2.092 3.901 361 2HZ LYS 46 HZ2 LYS 46 -15.842 -3.449 2.998 362 3HZ LYS 46 HZ1 LYS 46 -17.006 -2.510 3.804 363 H GLU 47 HN GLU 47 -11.684 -4.894 3.839 364 HA GLU 47 HA GLU 47 -10.040 -5.923 6.016 365 1HB GLU 47 HB2 GLU 47 -11.579 -7.053 3.734 366 2HB GLU 47 HB1 GLU 47 -10.230 -8.023 4.328 367 1HG GLU 47 HG2 GLU 47 -12.356 -6.864 6.146 368 2HG GLU 47 HG1 GLU 47 -12.457 -8.484 5.455 369 H THR 48 HN THR 48 -9.651 -5.561 2.488 370 HA THR 48 HA THR 48 -6.977 -6.621 2.423 371 HB THR 48 HB THR 48 -7.764 -4.545 0.436 372 HG1 THR 48 HG1 THR 48 -9.095 -6.270 -0.533 373 1HG2 THR 48 HG21 THR 48 -6.291 -7.124 0.573 374 2HG2 THR 48 HG23 THR 48 -7.111 -6.759 -0.945 375 3HG2 THR 48 HG22 THR 48 -5.897 -5.648 -0.309 376 H PHE 49 HN PHE 49 -8.227 -3.532 3.441 377 HA PHE 49 HA PHE 49 -5.669 -2.156 3.040 378 1HB PHE 49 HB2 PHE 49 -8.232 -1.358 4.435 379 2HB PHE 49 HB1 PHE 49 -6.795 -0.342 4.425 380 HD1 PHE 49 HD2 PHE 49 -5.804 -0.916 1.606 381 HD2 PHE 49 HD1 PHE 49 -9.735 -0.087 3.137 382 HE1 PHE 49 HE2 PHE 49 -6.484 -0.045 -0.607 383 HE2 PHE 49 HE1 PHE 49 -10.407 0.791 0.922 384 HZ PHE 49 HZ PHE 49 -8.785 0.810 -0.952 385 H CYS 50 HN CYS 50 -7.353 -3.804 5.666 386 HA CYS 50 HA CYS 50 -5.561 -2.855 7.741 387 1HB CYS 50 HB2 CYS 50 -7.839 -3.837 8.170 388 2HB CYS 50 HB1 CYS 50 -7.195 -5.413 7.712 389 NH1 ARG 51 NH2 ARG 51 -6.439 -12.274 4.183 390 NH2 ARG 51 NH1 ARG 51 -4.254 -12.843 4.243 391 H ARG 51 HN ARG 51 -5.748 -5.942 5.926 392 HA ARG 51 HA ARG 51 -3.353 -7.039 7.060 393 1HB ARG 51 HB2 ARG 51 -4.600 -7.556 4.337 394 2HB ARG 51 HB1 ARG 51 -3.395 -8.577 5.123 395 1HG ARG 51 HG2 ARG 51 -4.922 -9.055 6.956 396 2HG ARG 51 HG1 ARG 51 -6.109 -7.925 6.306 397 1HD ARG 51 HD2 ARG 51 -6.757 -10.189 5.685 398 2HD ARG 51 HD1 ARG 51 -6.243 -9.324 4.236 399 HE ARG 51 HE ARG 51 -3.934 -10.577 5.123 400 1HH1 ARG 51 HH21 ARG 51 -7.174 -11.615 4.337 401 2HH1 ARG 51 HH22 ARG 51 -6.654 -13.180 3.819 402 1HH2 ARG 51 HH11 ARG 51 -3.301 -12.615 4.444 403 2HH2 ARG 51 HH12 ARG 51 -4.486 -13.745 3.881 404 H ALA 52 HN ALA 52 -3.924 -5.345 3.964 405 HA ALA 52 HA ALA 52 -1.170 -5.231 3.194 406 1HB ALA 52 HB2 ALA 52 -3.495 -3.411 2.497 407 2HB ALA 52 HB1 ALA 52 -1.924 -3.374 1.695 408 3HB ALA 52 HB3 ALA 52 -2.942 -4.809 1.575 409 H ALA 53 HN ALA 53 -2.953 -3.485 5.601 410 HA ALA 53 HA ALA 53 -1.298 -1.108 5.616 411 1HB ALA 53 HB2 ALA 53 -3.444 -2.258 7.297 412 2HB ALA 53 HB1 ALA 53 -2.275 -1.262 8.162 413 3HB ALA 53 HB3 ALA 53 -3.175 -0.587 6.804 414 H THR 54 HN THR 54 -1.324 -4.151 7.478 415 HA THR 54 HA THR 54 0.900 -3.491 9.159 416 HB THR 54 HB THR 54 -0.411 -6.046 8.280 417 HG1 THR 54 HG1 THR 54 -1.204 -4.892 10.057 418 1HG2 THR 54 HG22 THR 54 2.343 -5.738 9.438 419 2HG2 THR 54 HG21 THR 54 1.353 -7.121 9.903 420 3HG2 THR 54 HG23 THR 54 1.773 -6.866 8.209 421 H VAL 55 HN VAL 55 0.680 -5.107 5.994 422 HA VAL 55 HA VAL 55 3.462 -5.665 5.695 423 HB VAL 55 HB VAL 55 1.258 -5.139 3.688 424 1HG1 VAL 55 HG13 VAL 55 4.195 -5.485 3.303 425 2HG1 VAL 55 HG12 VAL 55 3.130 -6.355 2.199 426 3HG1 VAL 55 HG11 VAL 55 3.031 -4.597 2.320 427 1HG2 VAL 55 HG21 VAL 55 2.375 -7.456 5.119 428 2HG2 VAL 55 HG23 VAL 55 0.805 -7.270 4.337 429 3HG2 VAL 55 HG22 VAL 55 2.222 -7.708 3.380 430 H LEU 56 HN LEU 56 1.558 -2.745 5.164 431 HA LEU 56 HA LEU 56 3.605 -1.267 3.774 432 1HB LEU 56 HB2 LEU 56 0.953 -0.766 4.821 433 2HB LEU 56 HB1 LEU 56 2.037 0.560 5.247 434 HG LEU 56 HG LEU 56 2.795 0.540 2.806 435 1HD1 LEU 56 HD12 LEU 56 1.871 -1.720 2.303 436 2HD1 LEU 56 HD11 LEU 56 0.243 -1.074 2.510 437 3HD1 LEU 56 HD13 LEU 56 1.263 -0.488 1.197 438 1HD2 LEU 56 HD23 LEU 56 -0.062 1.230 3.555 439 2HD2 LEU 56 HD22 LEU 56 1.340 2.298 3.617 440 3HD2 LEU 56 HD21 LEU 56 0.711 1.760 2.060 441 NH1 ARG 57 NH2 ARG 57 2.802 -2.769 13.902 442 NH2 ARG 57 NH1 ARG 57 3.039 -0.550 14.247 443 H ARG 57 HN ARG 57 2.835 -1.839 7.155 444 HA ARG 57 HA ARG 57 4.505 0.144 8.332 445 1HB ARG 57 HB2 ARG 57 3.402 -0.797 10.078 446 2HB ARG 57 HB1 ARG 57 3.128 -2.297 9.195 447 1HG ARG 57 HG2 ARG 57 5.338 -3.109 9.759 448 2HG ARG 57 HG1 ARG 57 5.778 -1.553 10.466 449 1HD ARG 57 HD2 ARG 57 3.504 -3.280 11.477 450 2HD ARG 57 HD1 ARG 57 5.131 -3.304 12.158 451 HE ARG 57 HE ARG 57 4.429 -0.628 12.226 452 1HH1 ARG 57 HH21 ARG 57 2.992 -3.596 13.376 453 2HH1 ARG 57 HH22 ARG 57 2.222 -2.822 14.715 454 1HH2 ARG 57 HH11 ARG 57 3.416 0.337 13.979 455 2HH2 ARG 57 HH12 ARG 57 2.458 -0.621 15.058 456 H GLN 58 HN GLN 58 5.186 -3.242 7.411 457 HA GLN 58 HA GLN 58 7.988 -3.070 8.121 458 1HB GLN 58 HB2 GLN 58 6.468 -5.177 7.701 459 2HB GLN 58 HB1 GLN 58 6.959 -4.958 6.021 460 1HG GLN 58 HG2 GLN 58 9.115 -5.585 6.430 461 2HG GLN 58 HG1 GLN 58 9.148 -4.798 8.009 462 1HE2 GLN 58 HE22 GLN 58 7.999 -8.716 7.728 463 2HE2 GLN 58 HE21 GLN 58 8.166 -7.776 6.324 464 H PHE 59 HN PHE 59 6.117 -2.016 5.401 465 HA PHE 59 HA PHE 59 8.065 -2.063 3.339 466 1HB PHE 59 HB2 PHE 59 5.520 -1.419 3.338 467 2HB PHE 59 HB1 PHE 59 6.114 0.208 3.643 468 HD1 PHE 59 HD2 PHE 59 8.418 0.627 2.033 469 HD2 PHE 59 HD1 PHE 59 4.963 -1.765 1.131 470 HE1 PHE 59 HE2 PHE 59 8.861 0.901 -0.383 471 HE2 PHE 59 HE1 PHE 59 5.406 -1.481 -1.291 472 HZ PHE 59 HZ PHE 59 7.354 -0.149 -2.047 473 OH TYR 60 OH TYR 60 4.765 3.525 9.762 474 H TYR 60 HN TYR 60 7.124 0.875 5.209 475 HA TYR 60 HA TYR 60 9.764 2.005 4.505 476 1HB TYR 60 HB2 TYR 60 8.906 4.108 5.277 477 2HB TYR 60 HB1 TYR 60 7.627 3.332 4.345 478 HD1 TYR 60 HD2 TYR 60 5.671 2.343 5.455 479 HD2 TYR 60 HD1 TYR 60 8.737 4.354 7.691 480 HE1 TYR 60 HE2 TYR 60 4.166 2.451 7.423 481 HE2 TYR 60 HE1 TYR 60 7.233 4.463 9.658 482 HH TYR 60 HH TYR 60 4.051 4.132 9.554 483 H SER 61 HN SER 61 8.094 0.912 7.423 484 HA SER 61 HA SER 61 9.839 2.044 9.338 485 1HB SER 61 HB2 SER 61 8.556 -0.684 9.561 486 2HB SER 61 HB1 SER 61 9.041 0.377 10.879 487 HG SER 61 HG SER 61 6.752 0.416 10.257 488 H HIS 62 HN HIS 62 10.250 -0.878 7.366 489 HA HIS 62 HA HIS 62 12.726 -1.537 8.831 490 1HB HIS 62 HB2 HIS 62 10.991 -2.915 6.870 491 2HB HIS 62 HB1 HIS 62 12.709 -3.292 6.774 492 HD1 HIS 62 HD1 HIS 62 11.994 -5.711 7.707 493 HD2 HIS 62 HD2 HIS 62 11.506 -2.539 10.368 494 HE1 HIS 62 HE1 HIS 62 11.727 -6.739 10.005 495 H HIS 63 HN HIS 63 12.136 -1.397 5.292 496 HA HIS 63 HA HIS 63 14.916 -0.455 5.013 497 1HB HIS 63 HB2 HIS 63 14.622 -0.867 2.608 498 2HB HIS 63 HB1 HIS 63 14.181 -2.280 3.561 499 HD1 HIS 63 HD1 HIS 63 12.784 0.300 1.267 500 HD2 HIS 63 HD2 HIS 63 11.346 -2.839 3.606 501 HE1 HIS 63 HE1 HIS 63 10.419 -0.150 0.488 502 H GLU 64 HN GLU 64 13.856 1.613 6.144 503 HA GLU 64 HA GLU 64 12.721 3.451 4.114 504 1HB GLU 64 HB2 GLU 64 11.674 4.178 5.983 505 2HB GLU 64 HB1 GLU 64 12.813 3.343 7.038 506 1HG GLU 64 HG2 GLU 64 14.406 5.155 6.869 507 2HG GLU 64 HG1 GLU 64 13.438 5.952 5.625 508 H LYS 65 HN LYS 65 15.657 2.970 6.032 509 HA LYS 65 HA LYS 65 17.038 4.898 4.214 510 1HB LYS 65 HB2 LYS 65 16.552 5.795 6.581 511 2HB LYS 65 HB1 LYS 65 17.732 4.609 7.140 512 1HG LYS 65 HG2 LYS 65 19.451 5.586 5.709 513 2HG LYS 65 HG1 LYS 65 18.280 6.715 5.029 514 1HD LYS 65 HD2 LYS 65 18.857 8.146 6.675 515 2HD LYS 65 HD1 LYS 65 18.044 7.052 7.796 516 1HE LYS 65 HE2 LYS 65 20.467 5.800 7.433 517 2HE LYS 65 HE1 LYS 65 20.922 7.503 7.375 518 1HZ LYS 65 HZ3 LYS 65 19.278 6.255 9.510 519 2HZ LYS 65 HZ2 LYS 65 20.937 6.597 9.637 520 3HZ LYS 65 HZ1 LYS 65 19.816 7.862 9.466 521 H ASP 66 HN ASP 66 16.900 2.035 3.981 522 HA ASP 66 HA ASP 66 19.509 1.072 4.996 523 1HB ASP 66 HB2 ASP 66 17.195 -0.260 3.577 524 2HB ASP 66 HB1 ASP 66 18.732 -1.085 3.848 525 H THR 67 HN THR 67 20.760 -0.303 3.261 526 HA THR 67 HA THR 67 21.272 1.526 1.001 527 HB THR 67 HB THR 67 22.846 -0.958 1.170 528 HG1 THR 67 HG1 THR 67 23.784 0.584 3.092 529 1HG2 THR 67 HG21 THR 67 23.500 2.001 1.164 530 2HG2 THR 67 HG23 THR 67 24.697 0.710 1.064 531 3HG2 THR 67 HG22 THR 67 23.517 0.921 -0.230 532 NH1 ARG 68 NH2 ARG 68 20.930 -6.759 -0.584 533 NH2 ARG 68 NH1 ARG 68 22.897 -5.688 -0.860 534 H ARG 68 HN ARG 68 19.818 -1.595 1.605 535 HA ARG 68 HA ARG 68 20.038 -2.808 -0.927 536 1HB ARG 68 HB2 ARG 68 18.322 -3.066 1.407 537 2HB ARG 68 HB1 ARG 68 17.423 -3.350 -0.085 538 1HG ARG 68 HG2 ARG 68 18.287 -5.474 0.329 539 2HG ARG 68 HG1 ARG 68 19.524 -4.799 -0.729 540 1HD ARG 68 HD2 ARG 68 20.065 -4.052 2.000 541 2HD ARG 68 HD1 ARG 68 19.867 -5.799 1.901 542 HE ARG 68 HE ARG 68 22.144 -4.322 1.025 543 1HH1 ARG 68 HH21 ARG 68 20.072 -6.893 -0.092 544 2HH1 ARG 68 HH22 ARG 68 21.170 -7.371 -1.337 545 1HH2 ARG 68 HH11 ARG 68 23.550 -4.985 -0.581 546 2HH2 ARG 68 HH12 ARG 68 23.123 -6.313 -1.608 547 H CYS 69 HN CYS 69 17.354 -0.702 0.197 548 HA CYS 69 HA CYS 69 16.216 -0.505 -2.454 549 1HB CYS 69 HB2 CYS 69 15.559 0.399 0.204 550 2HB CYS 69 HB1 CYS 69 15.392 1.735 -0.937 551 H LEU 70 HN LEU 70 18.775 1.203 -0.812 552 HA LEU 70 HA LEU 70 18.610 3.561 -2.529 553 1HB LEU 70 HB2 LEU 70 20.721 2.578 -0.592 554 2HB LEU 70 HB1 LEU 70 20.856 4.088 -1.492 555 HG LEU 70 HG LEU 70 18.562 3.373 0.357 556 1HD1 LEU 70 HD13 LEU 70 21.137 4.139 1.059 557 2HD1 LEU 70 HD12 LEU 70 20.253 5.665 1.040 558 3HD1 LEU 70 HD11 LEU 70 19.699 4.337 2.061 559 1HD2 LEU 70 HD23 LEU 70 19.249 5.777 -1.336 560 2HD2 LEU 70 HD22 LEU 70 17.731 4.884 -1.268 561 3HD2 LEU 70 HD21 LEU 70 18.203 5.925 0.075 562 H GLY 71 HN GLY 71 21.827 2.183 -2.281 563 1HA GLY 71 HA2 GLY 71 23.076 0.978 -3.919 564 2HA GLY 71 HA1 GLY 71 21.661 0.988 -4.972 565 H ALA 72 HN ALA 72 21.677 4.074 -4.093 566 HA ALA 72 HA ALA 72 23.924 5.271 -5.358 567 1HB ALA 72 HB2 ALA 72 21.436 4.885 -7.060 568 2HB ALA 72 HB1 ALA 72 22.691 6.071 -7.423 569 3HB ALA 72 HB3 ALA 72 23.073 4.349 -7.438 570 H THR 73 HN THR 73 23.543 6.479 -3.413 571 HA THR 73 HA THR 73 21.030 7.805 -2.907 572 HB THR 73 HB THR 73 22.467 9.100 -1.218 573 HG1 THR 73 HG1 THR 73 24.495 8.905 -1.831 574 1HG2 THR 73 HG22 THR 73 21.534 6.382 -1.316 575 2HG2 THR 73 HG21 THR 73 23.001 6.462 -0.341 576 3HG2 THR 73 HG23 THR 73 21.614 7.471 0.069 577 H ALA 74 HN ALA 74 22.882 8.531 -5.463 578 HA ALA 74 HA ALA 74 23.203 11.390 -5.065 579 1HB ALA 74 HB3 ALA 74 23.335 9.588 -7.495 580 2HB ALA 74 HB2 ALA 74 23.503 11.340 -7.616 581 3HB ALA 74 HB1 ALA 74 24.668 10.406 -6.679 582 H GLN 75 HN GLN 75 21.245 9.729 -7.548 583 HA GLN 75 HA GLN 75 19.240 11.895 -7.336 584 1HB GLN 75 HB2 GLN 75 20.252 10.465 -9.480 585 2HB GLN 75 HB1 GLN 75 18.672 9.727 -9.223 586 1HG GLN 75 HG2 GLN 75 17.526 11.688 -9.679 587 2HG GLN 75 HG1 GLN 75 18.867 12.713 -9.169 588 1HE2 GLN 75 HE22 GLN 75 20.644 12.012 -12.355 589 2HE2 GLN 75 HE21 GLN 75 20.992 11.858 -10.701 590 H GLN 76 HN GLN 76 19.466 8.368 -6.906 591 HA GLN 76 HA GLN 76 16.685 7.906 -6.434 592 1HB GLN 76 HB2 GLN 76 18.952 6.362 -5.153 593 2HB GLN 76 HB1 GLN 76 17.323 5.788 -5.490 594 1HG GLN 76 HG2 GLN 76 18.763 6.808 -7.858 595 2HG GLN 76 HG1 GLN 76 19.471 5.367 -7.130 596 1HE2 GLN 76 HE22 GLN 76 16.746 3.255 -8.015 597 2HE2 GLN 76 HE21 GLN 76 18.128 3.409 -7.040 598 H PHE 77 HN PHE 77 19.250 9.069 -4.327 599 HA PHE 77 HA PHE 77 18.007 8.597 -1.822 600 1HB PHE 77 HB2 PHE 77 20.296 9.375 -1.898 601 2HB PHE 77 HB1 PHE 77 19.813 10.859 -2.722 602 HD1 PHE 77 HD1 PHE 77 18.857 8.930 0.357 603 HD2 PHE 77 HD2 PHE 77 19.629 12.768 -1.411 604 HE1 PHE 77 HE1 PHE 77 18.440 10.021 2.544 605 HE2 PHE 77 HE2 PHE 77 19.214 13.859 0.776 606 HZ PHE 77 HZ PHE 77 18.619 12.486 2.754 607 H HIS 78 HN HIS 78 17.787 11.466 -3.951 608 HA HIS 78 HA HIS 78 15.965 12.912 -2.291 609 1HB HIS 78 HB2 HIS 78 17.255 13.909 -4.185 610 2HB HIS 78 HB1 HIS 78 16.217 13.035 -5.310 611 HD1 HIS 78 HD1 HIS 78 14.403 14.158 -2.343 612 HD2 HIS 78 HD2 HIS 78 15.362 15.782 -6.060 613 HE1 HIS 78 HE1 HIS 78 12.865 16.143 -2.675 614 NH1 ARG 79 NH2 ARG 79 9.760 10.834 -9.447 615 NH2 ARG 79 NH1 ARG 79 9.113 12.296 -7.851 616 H ARG 79 HN ARG 79 15.397 10.759 -5.071 617 HA ARG 79 HA ARG 79 12.529 10.979 -4.967 618 1HB ARG 79 HB2 ARG 79 14.423 8.965 -6.176 619 2HB ARG 79 HB1 ARG 79 12.673 8.764 -6.273 620 1HG ARG 79 HG2 ARG 79 13.467 11.476 -6.966 621 2HG ARG 79 HG1 ARG 79 14.264 10.289 -7.998 622 1HD ARG 79 HD2 ARG 79 12.302 10.437 -9.174 623 2HD ARG 79 HD1 ARG 79 11.769 9.255 -7.980 624 HE ARG 79 HE ARG 79 11.244 11.704 -6.786 625 1HH1 ARG 79 HH21 ARG 79 10.420 10.182 -9.818 626 2HH1 ARG 79 HH22 ARG 79 8.913 11.019 -9.945 627 1HH2 ARG 79 HH11 ARG 79 9.280 12.769 -6.986 628 2HH2 ARG 79 HH12 ARG 79 8.271 12.471 -8.363 629 H HIS 80 HN HIS 80 14.736 9.368 -2.891 630 HA HIS 80 HA HIS 80 12.838 7.265 -2.106 631 1HB HIS 80 HB2 HIS 80 15.341 6.928 -2.156 632 2HB HIS 80 HB1 HIS 80 15.457 8.041 -0.795 633 HD1 HIS 80 HD1 HIS 80 12.614 5.589 -1.087 634 HD2 HIS 80 HD2 HIS 80 16.165 6.010 1.055 635 HE1 HIS 80 HE1 HIS 80 12.572 3.823 0.724 636 H LYS 81 HN LYS 81 13.970 10.396 -0.937 637 HA LYS 81 HA LYS 81 12.970 10.264 1.716 638 1HB LYS 81 HB2 LYS 81 13.610 12.446 -0.208 639 2HB LYS 81 HB1 LYS 81 12.595 12.870 1.171 640 1HG LYS 81 HG2 LYS 81 14.546 11.338 2.358 641 2HG LYS 81 HG1 LYS 81 15.455 12.167 1.094 642 1HD LYS 81 HD2 LYS 81 13.822 14.162 2.140 643 2HD LYS 81 HD1 LYS 81 14.312 13.240 3.561 644 1HE LYS 81 HE2 LYS 81 16.606 13.616 3.166 645 2HE LYS 81 HE1 LYS 81 16.335 14.057 1.481 646 1HZ LYS 81 HZ1 LYS 81 14.833 15.838 2.905 647 2HZ LYS 81 HZ3 LYS 81 16.256 15.695 3.818 648 3HZ LYS 81 HZ2 LYS 81 16.339 16.148 2.183 649 H GLN 82 HN GLN 82 11.353 11.238 -1.299 650 HA GLN 82 HA GLN 82 8.828 11.816 0.015 651 1HB GLN 82 HB2 GLN 82 9.320 11.194 -2.911 652 2HB GLN 82 HB1 GLN 82 7.938 12.052 -2.228 653 1HG GLN 82 HG2 GLN 82 9.857 13.612 -1.232 654 2HG GLN 82 HG1 GLN 82 10.748 12.995 -2.624 655 1HE2 GLN 82 HE22 GLN 82 8.816 16.049 -3.665 656 2HE2 GLN 82 HE21 GLN 82 9.982 15.748 -2.469 657 H LEU 83 HN LEU 83 10.367 8.910 -1.099 658 HA LEU 83 HA LEU 83 7.994 7.350 -1.579 659 1HB LEU 83 HB2 LEU 83 10.368 6.789 -2.306 660 2HB LEU 83 HB1 LEU 83 10.678 6.313 -0.636 661 HG LEU 83 HG LEU 83 8.251 5.182 -1.951 662 1HD1 LEU 83 HD13 LEU 83 11.101 4.386 -2.597 663 2HD1 LEU 83 HD12 LEU 83 9.721 3.319 -2.858 664 3HD1 LEU 83 HD11 LEU 83 9.832 4.848 -3.732 665 1HD2 LEU 83 HD21 LEU 83 10.261 4.446 0.149 666 2HD2 LEU 83 HD23 LEU 83 8.500 4.390 0.218 667 3HD2 LEU 83 HD22 LEU 83 9.386 3.150 -0.669 668 H ILE 84 HN ILE 84 10.150 7.610 1.268 669 HA ILE 84 HA ILE 84 8.664 5.830 2.927 670 HB ILE 84 HB ILE 84 10.281 8.227 3.835 671 1HG1 ILE 84 HG12 ILE 84 11.692 6.976 2.347 672 2HG1 ILE 84 HG11 ILE 84 12.137 6.483 3.980 673 1HG2 ILE 84 HG21 ILE 84 8.796 6.269 5.235 674 2HG2 ILE 84 HG23 ILE 84 10.494 5.831 5.429 675 3HG2 ILE 84 HG22 ILE 84 9.937 7.433 5.912 676 1HD1 ILE 84 HD13 ILE 84 10.589 4.525 3.755 677 2HD1 ILE 84 HD12 ILE 84 10.317 4.985 2.074 678 3HD1 ILE 84 HD11 ILE 84 11.925 4.492 2.605 679 NH1 ARG 85 NH2 ARG 85 9.159 15.772 2.820 680 NH2 ARG 85 NH1 ARG 85 7.041 16.505 2.536 681 H ARG 85 HN ARG 85 8.480 9.388 2.617 682 HA ARG 85 HA ARG 85 6.524 9.845 4.604 683 1HB ARG 85 HB2 ARG 85 7.433 11.257 2.152 684 2HB ARG 85 HB1 ARG 85 5.856 11.728 2.789 685 1HG ARG 85 HG2 ARG 85 6.743 12.518 4.784 686 2HG ARG 85 HG1 ARG 85 8.153 11.460 4.695 687 1HD ARG 85 HD2 ARG 85 9.052 13.571 4.182 688 2HD ARG 85 HD1 ARG 85 8.783 12.859 2.592 689 HE ARG 85 HE ARG 85 6.422 14.210 3.138 690 1HH1 ARG 85 HH21 ARG 85 9.809 15.048 3.043 691 2HH1 ARG 85 HH22 ARG 85 9.495 16.684 2.581 692 1HH2 ARG 85 HH11 ARG 85 6.054 16.339 2.542 693 2HH2 ARG 85 HH12 ARG 85 7.394 17.412 2.303 694 H PHE 86 HN PHE 86 5.996 9.309 1.115 695 HA PHE 86 HA PHE 86 3.192 9.373 1.101 696 1HB PHE 86 HB2 PHE 86 5.294 8.332 -0.632 697 2HB PHE 86 HB1 PHE 86 3.836 7.342 -0.698 698 HD1 PHE 86 HD1 PHE 86 4.629 11.008 -0.430 699 HD2 PHE 86 HD2 PHE 86 2.341 7.935 -2.372 700 HE1 PHE 86 HE1 PHE 86 3.523 12.722 -1.840 701 HE2 PHE 86 HE2 PHE 86 1.236 9.649 -3.783 702 HZ PHE 86 HZ PHE 86 1.827 12.042 -3.517 703 H LEU 87 HN LEU 87 5.334 6.675 1.976 704 HA LEU 87 HA LEU 87 3.226 4.720 2.196 705 1HB LEU 87 HB2 LEU 87 6.057 4.923 3.162 706 2HB LEU 87 HB1 LEU 87 5.018 3.657 3.817 707 HG LEU 87 HG LEU 87 5.136 4.075 0.846 708 1HD1 LEU 87 HD13 LEU 87 7.488 3.925 1.848 709 2HD1 LEU 87 HD12 LEU 87 7.055 2.295 2.356 710 3HD1 LEU 87 HD11 LEU 87 7.081 2.706 0.641 711 1HD2 LEU 87 HD22 LEU 87 3.654 2.428 2.395 712 2HD2 LEU 87 HD21 LEU 87 4.188 1.979 0.776 713 3HD2 LEU 87 HD23 LEU 87 5.083 1.415 2.187 714 H LYS 88 HN LYS 88 4.631 7.036 4.476 715 HA LYS 88 HA LYS 88 3.369 5.965 6.822 716 1HB LYS 88 HB2 LYS 88 4.272 8.800 6.232 717 2HB LYS 88 HB1 LYS 88 3.879 8.164 7.830 718 1HG LYS 88 HG2 LYS 88 5.643 6.307 7.196 719 2HG LYS 88 HG1 LYS 88 6.222 7.532 6.068 720 1HD LYS 88 HD2 LYS 88 5.715 8.766 8.616 721 2HD LYS 88 HD1 LYS 88 6.755 7.360 8.849 722 1HE LYS 88 HE2 LYS 88 8.441 8.211 7.473 723 2HE LYS 88 HE1 LYS 88 7.334 9.280 6.611 724 1HZ LYS 88 HZ1 LYS 88 7.076 10.297 9.003 725 2HZ LYS 88 HZ3 LYS 88 8.628 9.644 9.207 726 3HZ LYS 88 HZ2 LYS 88 8.340 10.773 7.971 727 NH1 ARG 89 NH2 ARG 89 0.065 14.175 2.333 728 NH2 ARG 89 NH1 ARG 89 0.858 13.523 0.321 729 H ARG 89 HN ARG 89 2.265 8.125 4.283 730 HA ARG 89 HA ARG 89 -0.089 9.008 5.773 731 1HB ARG 89 HB2 ARG 89 0.216 9.134 2.776 732 2HB ARG 89 HB1 ARG 89 -0.650 10.242 3.841 733 1HG ARG 89 HG2 ARG 89 1.885 10.394 4.860 734 2HG ARG 89 HG1 ARG 89 2.215 10.161 3.143 735 1HD ARG 89 HD2 ARG 89 0.096 12.127 3.901 736 2HD ARG 89 HD1 ARG 89 1.780 12.593 4.144 737 HE ARG 89 HE ARG 89 1.735 11.597 1.561 738 1HH1 ARG 89 HH21 ARG 89 -0.049 14.031 3.315 739 2HH1 ARG 89 HH22 ARG 89 -0.326 14.990 1.905 740 1HH2 ARG 89 HH11 ARG 89 1.359 12.869 -0.246 741 2HH2 ARG 89 HH12 ARG 89 0.459 14.342 -0.093 742 H LEU 90 HN LEU 90 0.598 6.611 3.255 743 HA LEU 90 HA LEU 90 -2.172 5.815 2.942 744 1HB LEU 90 HB2 LEU 90 0.473 4.924 1.940 745 2HB LEU 90 HB1 LEU 90 -0.785 3.692 1.993 746 HG LEU 90 HG LEU 90 -0.629 5.076 -0.165 747 1HD1 LEU 90 HD12 LEU 90 -3.220 5.001 1.415 748 2HD1 LEU 90 HD11 LEU 90 -3.112 5.265 -0.325 749 3HD1 LEU 90 HD13 LEU 90 -2.599 3.726 0.366 750 1HD2 LEU 90 HD21 LEU 90 -0.375 7.221 1.290 751 2HD2 LEU 90 HD23 LEU 90 -1.384 7.305 -0.153 752 3HD2 LEU 90 HD22 LEU 90 -2.131 7.143 1.435 753 H ASP 91 HN ASP 91 0.266 5.065 5.281 754 HA ASP 91 HA ASP 91 -0.581 2.418 5.981 755 1HB ASP 91 HB2 ASP 91 1.541 3.155 6.795 756 2HB ASP 91 HB1 ASP 91 0.836 4.595 7.531 757 NH1 ARG 92 NH2 ARG 92 -4.837 5.879 13.787 758 NH2 ARG 92 NH1 ARG 92 -3.832 7.775 14.492 759 H ARG 92 HN ARG 92 -1.444 5.604 7.374 760 HA ARG 92 HA ARG 92 -3.510 4.315 9.041 761 1HB ARG 92 HB2 ARG 92 -2.443 7.123 8.797 762 2HB ARG 92 HB1 ARG 92 -3.903 6.775 9.723 763 1HG ARG 92 HG2 ARG 92 -1.560 5.022 10.243 764 2HG ARG 92 HG1 ARG 92 -1.438 6.688 10.813 765 1HD ARG 92 HD2 ARG 92 -4.039 5.423 11.365 766 2HD ARG 92 HD1 ARG 92 -2.679 4.658 12.189 767 HE ARG 92 HE ARG 92 -2.295 7.370 12.625 768 1HH1 ARG 92 HH21 ARG 92 -4.898 5.106 13.158 769 2HH1 ARG 92 HH22 ARG 92 -5.504 5.970 14.526 770 1HH2 ARG 92 HH11 ARG 92 -3.113 8.464 14.399 771 2HH2 ARG 92 HH12 ARG 92 -4.507 7.852 15.225 772 H ASN 93 HN ASN 93 -3.328 6.033 6.012 773 HA ASN 93 HA ASN 93 -6.124 6.851 6.049 774 1HB ASN 93 HB2 ASN 93 -3.945 6.832 3.972 775 2HB ASN 93 HB1 ASN 93 -5.614 7.192 3.521 776 1HD2 ASN 93 HD22 ASN 93 -5.252 10.526 4.558 777 2HD2 ASN 93 HD21 ASN 93 -5.916 9.418 3.458 778 H LEU 94 HN LEU 94 -4.361 4.026 4.953 779 HA LEU 94 HA LEU 94 -6.543 3.038 3.302 780 1HB LEU 94 HB2 LEU 94 -3.968 1.865 4.325 781 2HB LEU 94 HB1 LEU 94 -5.161 0.852 3.514 782 HG LEU 94 HG LEU 94 -4.106 3.422 2.321 783 1HD1 LEU 94 HD12 LEU 94 -2.794 0.869 2.622 784 2HD1 LEU 94 HD11 LEU 94 -3.122 1.170 0.916 785 3HD1 LEU 94 HD13 LEU 94 -2.191 2.335 1.854 786 1HD2 LEU 94 HD22 LEU 94 -6.307 1.890 1.682 787 2HD2 LEU 94 HD21 LEU 94 -5.457 2.950 0.557 788 3HD2 LEU 94 HD23 LEU 94 -5.071 1.230 0.612 789 CH2 TRP 95 CH2 TRP 95 -7.086 -1.262 13.208 790 H TRP 95 HN TRP 95 -5.188 1.838 6.413 791 HA TRP 95 HA TRP 95 -7.658 0.268 6.789 792 1HB TRP 95 HB2 TRP 95 -6.335 -1.112 7.940 793 2HB TRP 95 HB1 TRP 95 -4.973 -0.077 7.530 794 HD1 TRP 95 HD1 TRP 95 -4.579 2.026 9.284 795 HE1 TRP 95 HE1 TRP 95 -4.777 2.030 11.859 796 HE3 TRP 95 HE3 TRP 95 -7.437 -2.137 9.931 797 HZ2 TRP 95 HZ2 TRP 95 -5.989 0.450 13.920 798 HZ3 TRP 95 HZ3 TRP 95 -8.091 -2.876 12.197 799 HH2 TRP 95 HH2 TRP 95 -7.376 -1.591 14.195 800 H GLY 96 HN GLY 96 -6.226 3.208 8.003 801 1HA GLY 96 HA2 GLY 96 -7.585 3.481 10.467 802 2HA GLY 96 HA1 GLY 96 -7.157 4.843 9.432 803 H LEU 97 HN LEU 97 -8.753 3.822 7.172 804 HA LEU 97 HA LEU 97 -11.360 4.876 8.045 805 1HB LEU 97 HB2 LEU 97 -10.436 5.639 5.908 806 2HB LEU 97 HB1 LEU 97 -10.342 3.977 5.330 807 HG LEU 97 HG LEU 97 -13.007 4.411 6.242 808 1HD1 LEU 97 HD11 LEU 97 -12.523 6.828 5.967 809 2HD1 LEU 97 HD13 LEU 97 -12.012 6.528 4.307 810 3HD1 LEU 97 HD12 LEU 97 -13.692 6.265 4.773 811 1HD2 LEU 97 HD22 LEU 97 -11.620 3.955 3.603 812 2HD2 LEU 97 HD21 LEU 97 -12.628 2.841 4.525 813 3HD2 LEU 97 HD23 LEU 97 -13.367 4.191 3.665 814 H ALA 98 HN ALA 98 -9.889 1.813 7.172 815 HA ALA 98 HA ALA 98 -12.154 0.248 6.606 816 1HB ALA 98 HB3 ALA 98 -9.567 -0.415 8.028 817 2HB ALA 98 HB2 ALA 98 -10.783 -1.638 7.657 818 3HB ALA 98 HB1 ALA 98 -9.998 -0.751 6.351 819 H GLY 99 HN GLY 99 -10.582 0.577 9.801 820 1HA GLY 99 HA2 GLY 99 -11.693 0.888 11.895 821 2HA GLY 99 HA1 GLY 99 -13.240 0.645 11.083 822 H LEU 100 HN LEU 100 -10.365 -1.061 12.273 823 HA LEU 100 HA LEU 100 -12.055 -3.327 13.063 824 1HB LEU 100 HB2 LEU 100 -10.850 -3.413 10.538 825 2HB LEU 100 HB1 LEU 100 -9.775 -4.360 11.565 826 HG LEU 100 HG LEU 100 -12.528 -5.005 12.172 827 1HD1 LEU 100 HD11 LEU 100 -11.707 -4.934 9.282 828 2HD1 LEU 100 HD13 LEU 100 -12.778 -6.215 9.854 829 3HD1 LEU 100 HD12 LEU 100 -13.263 -4.526 10.007 830 1HD2 LEU 100 HD23 LEU 100 -10.026 -6.396 11.272 831 2HD2 LEU 100 HD22 LEU 100 -10.970 -6.637 12.742 832 3HD2 LEU 100 HD21 LEU 100 -11.554 -7.273 11.206 833 H ASN 101 HN ASN 101 -9.873 -5.157 13.441 834 HA ASN 101 HA ASN 101 -8.317 -3.678 15.517 835 1HB ASN 101 HB2 ASN 101 -8.334 -5.633 16.851 836 2HB ASN 101 HB1 ASN 101 -9.966 -5.564 16.185 837 1HD2 ASN 101 HD22 ASN 101 -7.759 -8.800 15.440 838 2HD2 ASN 101 HD21 ASN 101 -7.419 -7.680 16.670 839 H SER 102 HN SER 102 -6.437 -5.773 15.975 840 HA SER 102 HA SER 102 -4.420 -5.189 14.090 841 1HB SER 102 HB2 SER 102 -3.530 -6.142 15.997 842 2HB SER 102 HB1 SER 102 -4.842 -7.307 16.152 843 HG SER 102 HG SER 102 -2.964 -8.354 15.481 844 H CYS 103 HN CYS 103 -3.357 -6.931 12.639 845 HA CYS 103 HA CYS 103 -5.303 -8.805 11.433 846 1HB CYS 103 HB2 CYS 103 -4.082 -6.440 10.003 847 2HB CYS 103 HB1 CYS 103 -4.662 -7.860 9.131 848 HA PRO 104 HA PRO 104 -0.970 -10.385 11.881 849 1HB PRO 104 HB2 PRO 104 -2.216 -12.977 12.144 850 2HB PRO 104 HB1 PRO 104 -1.320 -12.064 13.366 851 1HG PRO 104 HG2 PRO 104 -4.164 -12.503 13.243 852 2HG PRO 104 HG1 PRO 104 -3.266 -11.566 14.445 853 1HD PRO 104 HD2 PRO 104 -4.985 -10.566 12.366 854 2HD PRO 104 HD1 PRO 104 -4.059 -9.628 13.554 855 H VAL 105 HN VAL 105 -0.682 -9.957 9.592 856 HA VAL 105 HA VAL 105 -1.969 -11.473 7.523 857 HB VAL 105 HB VAL 105 0.778 -10.201 7.392 858 1HG1 VAL 105 HG11 VAL 105 -0.458 -11.722 5.530 859 2HG1 VAL 105 HG13 VAL 105 -1.164 -10.151 5.143 860 3HG1 VAL 105 HG12 VAL 105 0.587 -10.364 5.115 861 1HG2 VAL 105 HG21 VAL 105 -1.892 -9.028 7.736 862 2HG2 VAL 105 HG23 VAL 105 -0.306 -8.279 7.920 863 3HG2 VAL 105 HG22 VAL 105 -1.039 -8.409 6.321 864 H LYS 106 HN LYS 106 -1.631 -13.572 6.951 865 HA LYS 106 HA LYS 106 0.982 -14.782 6.912 866 1HB LYS 106 HB2 LYS 106 0.206 -14.706 9.433 867 2HB LYS 106 HB1 LYS 106 -0.783 -16.087 8.957 868 1HG LYS 106 HG2 LYS 106 1.320 -17.123 7.985 869 2HG LYS 106 HG1 LYS 106 2.229 -15.829 8.768 870 1HD LYS 106 HD2 LYS 106 1.233 -16.508 10.956 871 2HD LYS 106 HD1 LYS 106 0.448 -17.863 10.142 872 1HE LYS 106 HE2 LYS 106 2.470 -18.959 9.724 873 2HE LYS 106 HE1 LYS 106 3.414 -17.475 9.855 874 1HZ LYS 106 HZ1 LYS 106 2.522 -17.516 12.281 875 2HZ LYS 106 HZ3 LYS 106 2.315 -19.174 11.984 876 3HZ LYS 106 HZ2 LYS 106 3.858 -18.473 11.850 877 H GLU 107 HN GLU 107 0.449 -15.570 4.883 878 HA GLU 107 HA GLU 107 -1.081 -18.002 4.736 879 1HB GLU 107 HB2 GLU 107 -2.951 -16.325 4.801 880 2HB GLU 107 HB1 GLU 107 -2.298 -15.613 3.325 881 1HG GLU 107 HG2 GLU 107 -3.965 -17.118 2.564 882 2HG GLU 107 HG1 GLU 107 -2.445 -17.982 2.324 883 H ALA 108 HN ALA 108 -0.344 -15.283 2.525 884 HA ALA 108 HA ALA 108 0.591 -17.169 0.521 885 1HB ALA 108 HB2 ALA 108 -0.329 -14.737 0.196 886 2HB ALA 108 HB1 ALA 108 1.338 -14.258 0.517 887 3HB ALA 108 HB3 ALA 108 0.970 -15.312 -0.848 888 H ASP 109 HN ASP 109 2.878 -17.004 -0.276 889 HA ASP 109 HA ASP 109 4.710 -17.038 2.052 890 1HB ASP 109 HB2 ASP 109 4.379 -18.762 -0.140 891 2HB ASP 109 HB1 ASP 109 5.882 -17.898 -0.466 892 H GLN 110 HN GLN 110 7.098 -16.479 1.087 893 HA GLN 110 HA GLN 110 7.320 -13.711 0.895 894 1HB GLN 110 HB2 GLN 110 9.024 -16.025 0.429 895 2HB GLN 110 HB1 GLN 110 9.426 -14.705 -0.667 896 1HG GLN 110 HG2 GLN 110 10.637 -13.887 1.063 897 2HG GLN 110 HG1 GLN 110 9.082 -13.381 1.723 898 1HE2 GLN 110 HE22 GLN 110 9.919 -15.322 4.571 899 2HE2 GLN 110 HE21 GLN 110 9.631 -13.764 3.961 900 H SER 111 HN SER 111 5.951 -12.623 -0.593 901 HA SER 111 HA SER 111 6.226 -13.459 -3.452 902 1HB SER 111 HB2 SER 111 3.948 -12.815 -1.893 903 2HB SER 111 HB1 SER 111 4.171 -11.483 -3.020 904 HG SER 111 HG SER 111 3.722 -12.778 -4.633 905 H THR 112 HN THR 112 7.381 -12.100 -4.734 906 HA THR 112 HA THR 112 8.832 -9.919 -3.781 907 HB THR 112 HB THR 112 9.289 -9.345 -6.069 908 HG1 THR 112 HG1 THR 112 7.324 -9.268 -7.008 909 1HG2 THR 112 HG23 THR 112 9.909 -11.677 -5.042 910 2HG2 THR 112 HG22 THR 112 8.763 -12.294 -6.232 911 3HG2 THR 112 HG21 THR 112 10.178 -11.383 -6.760 912 H LEU 113 HN LEU 113 8.485 -7.770 -3.540 913 HA LEU 113 HA LEU 113 5.885 -6.809 -3.032 914 1HB LEU 113 HB2 LEU 113 7.818 -5.775 -2.031 915 2HB LEU 113 HB1 LEU 113 8.458 -5.330 -3.610 916 HG LEU 113 HG LEU 113 6.640 -3.779 -3.981 917 1HD1 LEU 113 HD11 LEU 113 4.858 -5.121 -2.878 918 2HD1 LEU 113 HD13 LEU 113 5.554 -4.720 -1.309 919 3HD1 LEU 113 HD12 LEU 113 4.864 -3.451 -2.317 920 1HD2 LEU 113 HD21 LEU 113 8.616 -3.418 -2.151 921 2HD2 LEU 113 HD23 LEU 113 7.457 -2.162 -2.582 922 3HD2 LEU 113 HD22 LEU 113 7.202 -3.143 -1.138 923 H GLU 114 HN GLU 114 7.464 -7.115 -6.100 924 HA GLU 114 HA GLU 114 6.174 -4.940 -7.451 925 1HB GLU 114 HB2 GLU 114 7.607 -7.415 -8.238 926 2HB GLU 114 HB1 GLU 114 6.486 -6.761 -9.434 927 1HG GLU 114 HG2 GLU 114 7.624 -4.476 -8.910 928 2HG GLU 114 HG1 GLU 114 8.919 -5.461 -8.227 929 H ASN 115 HN ASN 115 5.213 -8.311 -6.889 930 HA ASN 115 HA ASN 115 2.784 -8.089 -8.467 931 1HB ASN 115 HB2 ASN 115 3.840 -10.264 -8.127 932 2HB ASN 115 HB1 ASN 115 3.626 -10.121 -6.382 933 1HD2 ASN 115 HD22 ASN 115 0.157 -10.499 -8.571 934 2HD2 ASN 115 HD21 ASN 115 1.398 -9.503 -9.160 935 H PHE 116 HN PHE 116 3.557 -7.635 -5.037 936 HA PHE 116 HA PHE 116 0.810 -7.612 -4.151 937 1HB PHE 116 HB2 PHE 116 2.417 -7.921 -2.440 938 2HB PHE 116 HB1 PHE 116 3.376 -6.540 -2.979 939 HD1 PHE 116 HD1 PHE 116 0.088 -7.493 -1.496 940 HD2 PHE 116 HD2 PHE 116 2.939 -4.354 -2.168 941 HE1 PHE 116 HE1 PHE 116 -1.192 -6.002 0.018 942 HE2 PHE 116 HE2 PHE 116 1.664 -2.867 -0.651 943 HZ PHE 116 HZ PHE 116 -0.404 -3.692 0.444 944 H LEU 117 HN LEU 117 3.095 -4.887 -4.581 945 HA LEU 117 HA LEU 117 1.217 -2.812 -4.281 946 1HB LEU 117 HB2 LEU 117 3.925 -3.084 -5.265 947 2HB LEU 117 HB1 LEU 117 3.022 -1.944 -6.266 948 HG LEU 117 HG LEU 117 3.018 -1.833 -3.241 949 1HD1 LEU 117 HD12 LEU 117 5.250 -1.399 -4.770 950 2HD1 LEU 117 HD11 LEU 117 4.528 0.210 -4.745 951 3HD1 LEU 117 HD13 LEU 117 4.930 -0.600 -3.230 952 1HD2 LEU 117 HD21 LEU 117 1.242 -0.724 -4.865 953 2HD2 LEU 117 HD23 LEU 117 1.877 0.179 -3.489 954 3HD2 LEU 117 HD22 LEU 117 2.523 0.464 -5.105 955 H GLU 118 HN GLU 118 1.977 -4.773 -7.138 956 HA GLU 118 HA GLU 118 0.509 -3.231 -9.035 957 1HB GLU 118 HB2 GLU 118 1.607 -4.826 -10.223 958 2HB GLU 118 HB1 GLU 118 1.612 -5.956 -8.869 959 1HG GLU 118 HG2 GLU 118 -0.627 -6.673 -9.348 960 2HG GLU 118 HG1 GLU 118 -0.864 -5.364 -10.508 961 NH1 ARG 119 NH2 ARG 119 -5.455 -8.972 -10.113 962 NH2 ARG 119 NH1 ARG 119 -4.194 -7.688 -11.477 963 H ARG 119 HN ARG 119 -0.512 -6.042 -7.087 964 HA ARG 119 HA ARG 119 -3.251 -6.013 -7.927 965 1HB ARG 119 HB2 ARG 119 -1.807 -7.116 -5.518 966 2HB ARG 119 HB1 ARG 119 -3.564 -7.218 -5.643 967 1HG ARG 119 HG2 ARG 119 -1.669 -8.203 -7.792 968 2HG ARG 119 HG1 ARG 119 -2.353 -9.240 -6.540 969 1HD ARG 119 HD2 ARG 119 -4.046 -9.551 -8.028 970 2HD ARG 119 HD1 ARG 119 -4.595 -7.971 -7.467 971 HE ARG 119 HE ARG 119 -2.797 -7.369 -9.486 972 1HH1 ARG 119 HH21 ARG 119 -5.639 -9.377 -9.220 973 2HH1 ARG 119 HH22 ARG 119 -6.075 -9.154 -10.877 974 1HH2 ARG 119 HH11 ARG 119 -3.399 -7.101 -11.629 975 2HH2 ARG 119 HH12 ARG 119 -4.825 -7.881 -12.229 976 H LEU 120 HN LEU 120 -1.520 -3.893 -5.804 977 HA LEU 120 HA LEU 120 -3.834 -3.118 -4.212 978 1HB LEU 120 HB2 LEU 120 -1.156 -2.783 -3.891 979 2HB LEU 120 HB1 LEU 120 -1.596 -1.200 -4.532 980 HG LEU 120 HG LEU 120 -2.704 -2.570 -2.072 981 1HD1 LEU 120 HD11 LEU 120 -0.822 -0.379 -2.649 982 2HD1 LEU 120 HD13 LEU 120 -2.054 0.030 -1.455 983 3HD1 LEU 120 HD12 LEU 120 -0.996 -1.357 -1.192 984 1HD2 LEU 120 HD21 LEU 120 -3.732 -0.203 -3.650 985 2HD2 LEU 120 HD23 LEU 120 -4.627 -1.624 -3.110 986 3HD2 LEU 120 HD22 LEU 120 -4.105 -0.413 -1.939 987 H LYS 121 HN LYS 121 -2.043 -1.621 -6.923 988 HA LYS 121 HA LYS 121 -3.779 0.638 -7.218 989 1HB LYS 121 HB2 LYS 121 -1.443 0.147 -8.284 990 2HB LYS 121 HB1 LYS 121 -2.377 -0.659 -9.545 991 1HG LYS 121 HG2 LYS 121 -3.668 1.396 -9.927 992 2HG LYS 121 HG1 LYS 121 -2.769 2.212 -8.649 993 1HD LYS 121 HD2 LYS 121 -1.864 2.755 -10.894 994 2HD LYS 121 HD1 LYS 121 -0.677 1.910 -9.899 995 1HE LYS 121 HE2 LYS 121 -0.606 0.149 -11.313 996 2HE LYS 121 HE1 LYS 121 -2.365 0.063 -11.408 997 1HZ LYS 121 HZ3 LYS 121 -1.023 2.280 -12.766 998 2HZ LYS 121 HZ2 LYS 121 -0.916 0.739 -13.473 999 3HZ LYS 121 HZ1 LYS 121 -2.436 1.445 -13.194 1000 H THR 122 HN THR 122 -3.867 -2.624 -8.504 1001 HA THR 122 HA THR 122 -5.973 -2.171 -10.410 1002 HB THR 122 HB THR 122 -6.148 -4.862 -9.587 1003 HG1 THR 122 HG1 THR 122 -3.565 -4.842 -10.031 1004 1HG2 THR 122 HG21 THR 122 -6.051 -3.678 -11.894 1005 2HG2 THR 122 HG23 THR 122 -4.303 -3.856 -11.739 1006 3HG2 THR 122 HG22 THR 122 -5.337 -5.285 -11.753 1007 H ILE 123 HN ILE 123 -6.048 -3.596 -7.150 1008 HA ILE 123 HA ILE 123 -8.828 -4.014 -6.974 1009 HB ILE 123 HB ILE 123 -6.836 -3.266 -4.820 1010 1HG1 ILE 123 HG12 ILE 123 -6.595 -5.429 -6.212 1011 2HG1 ILE 123 HG11 ILE 123 -6.619 -5.601 -4.457 1012 1HG2 ILE 123 HG23 ILE 123 -9.756 -3.812 -4.749 1013 2HG2 ILE 123 HG22 ILE 123 -8.782 -4.627 -3.525 1014 3HG2 ILE 123 HG21 ILE 123 -8.759 -2.868 -3.642 1015 1HD1 ILE 123 HD13 ILE 123 -9.139 -5.796 -6.109 1016 2HD1 ILE 123 HD12 ILE 123 -8.124 -7.202 -5.789 1017 3HD1 ILE 123 HD11 ILE 123 -8.878 -6.337 -4.451 1018 H MET 124 HN MET 124 -6.945 -1.078 -6.352 1019 HA MET 124 HA MET 124 -9.096 0.446 -5.242 1020 1HB MET 124 HB2 MET 124 -6.684 1.445 -6.772 1021 2HB MET 124 HB1 MET 124 -7.699 2.400 -5.690 1022 1HG MET 124 HG2 MET 124 -6.469 -0.126 -4.651 1023 2HG MET 124 HG1 MET 124 -5.459 1.309 -4.804 1024 1HE MET 124 HE3 MET 124 -5.119 2.773 -3.508 1025 2HE MET 124 HE2 MET 124 -6.457 3.894 -3.294 1026 3HE MET 124 HE1 MET 124 -5.773 3.067 -1.896 1027 NH1 ARG 125 NH2 ARG 125 -7.515 3.719 -14.866 1028 NH2 ARG 125 NH1 ARG 125 -6.403 1.769 -15.107 1029 H ARG 125 HN ARG 125 -7.736 0.546 -8.550 1030 HA ARG 125 HA ARG 125 -9.918 2.177 -9.538 1031 1HB ARG 125 HB2 ARG 125 -7.621 0.704 -10.795 1032 2HB ARG 125 HB1 ARG 125 -8.893 1.385 -11.808 1033 1HG ARG 125 HG2 ARG 125 -8.396 3.478 -10.122 1034 2HG ARG 125 HG1 ARG 125 -6.790 2.757 -10.250 1035 1HD ARG 125 HD2 ARG 125 -8.552 3.752 -12.500 1036 2HD ARG 125 HD1 ARG 125 -6.957 4.343 -12.039 1037 HE ARG 125 HE ARG 125 -6.529 1.674 -12.657 1038 1HH1 ARG 125 HH21 ARG 125 -7.946 4.413 -14.292 1039 2HH1 ARG 125 HH22 ARG 125 -7.505 3.835 -15.859 1040 1HH2 ARG 125 HH11 ARG 125 -5.975 0.958 -14.711 1041 2HH2 ARG 125 HH12 ARG 125 -6.405 1.900 -16.099 1042 H GLU 126 HN GLU 126 -9.902 -1.088 -8.715 1043 HA GLU 126 HA GLU 126 -11.613 -1.934 -10.960 1044 1HB GLU 126 HB2 GLU 126 -10.132 -3.257 -8.780 1045 2HB GLU 126 HB1 GLU 126 -11.689 -3.994 -9.158 1046 1HG GLU 126 HG2 GLU 126 -11.076 -4.465 -11.372 1047 2HG GLU 126 HG1 GLU 126 -9.793 -3.254 -11.375 1048 H LYS 127 HN LYS 127 -11.950 -1.725 -7.385 1049 HA LYS 127 HA LYS 127 -14.873 -2.016 -7.682 1050 1HB LYS 127 HB2 LYS 127 -13.094 -1.763 -5.242 1051 2HB LYS 127 HB1 LYS 127 -14.844 -1.980 -5.177 1052 1HG LYS 127 HG2 LYS 127 -14.469 -4.046 -6.668 1053 2HG LYS 127 HG1 LYS 127 -12.765 -3.893 -6.242 1054 1HD LYS 127 HD2 LYS 127 -13.332 -4.043 -3.854 1055 2HD LYS 127 HD1 LYS 127 -15.045 -4.159 -4.259 1056 1HE LYS 127 HE2 LYS 127 -14.197 -6.168 -5.778 1057 2HE LYS 127 HE1 LYS 127 -12.871 -6.185 -4.615 1058 1HZ LYS 127 HZ1 LYS 127 -15.293 -5.907 -3.227 1059 2HZ LYS 127 HZ3 LYS 127 -15.446 -7.211 -4.301 1060 3HZ LYS 127 HZ2 LYS 127 -14.181 -7.190 -3.167 1061 OH TYR 128 OH TYR 128 -11.579 0.851 -0.983 1062 H TYR 128 HN TYR 128 -12.548 0.550 -6.997 1063 HA TYR 128 HA TYR 128 -14.672 2.374 -6.109 1064 1HB TYR 128 HB2 TYR 128 -11.762 2.911 -6.762 1065 2HB TYR 128 HB1 TYR 128 -12.872 4.070 -6.037 1066 HD1 TYR 128 HD2 TYR 128 -14.377 2.674 -4.082 1067 HD2 TYR 128 HD1 TYR 128 -10.258 2.100 -5.163 1068 HE1 TYR 128 HE2 TYR 128 -13.919 1.726 -1.836 1069 HE2 TYR 128 HE1 TYR 128 -9.804 1.153 -2.916 1070 HH TYR 128 HH TYR 128 -12.389 0.901 -0.471 1071 H SER 129 HN SER 129 -14.093 1.181 -9.093 1072 HA SER 129 HA SER 129 -13.939 3.588 -10.683 1073 1HB SER 129 HB2 SER 129 -13.654 0.946 -11.245 1074 2HB SER 129 HB1 SER 129 -15.297 1.210 -11.823 1075 HG SER 129 HG SER 129 -12.888 2.447 -12.618 1076 H LYS 130 HN LYS 130 -16.542 1.787 -9.175 1077 HA LYS 130 HA LYS 130 -18.436 3.880 -10.138 1078 1HB LYS 130 HB2 LYS 130 -18.513 0.991 -10.639 1079 2HB LYS 130 HB1 LYS 130 -19.999 1.601 -9.912 1080 1HG LYS 130 HG2 LYS 130 -20.541 2.856 -11.745 1081 2HG LYS 130 HG1 LYS 130 -18.860 3.269 -12.082 1082 1HD LYS 130 HD2 LYS 130 -20.099 0.551 -12.601 1083 2HD LYS 130 HD1 LYS 130 -19.854 1.791 -13.830 1084 1HE LYS 130 HE2 LYS 130 -17.406 1.407 -12.364 1085 2HE LYS 130 HE1 LYS 130 -17.987 -0.150 -12.953 1086 1HZ LYS 130 HZ3 LYS 130 -17.985 2.184 -14.743 1087 2HZ LYS 130 HZ2 LYS 130 -16.543 1.327 -14.478 1088 3HZ LYS 130 HZ1 LYS 130 -17.896 0.536 -15.131 1089 H CYS 131 HN CYS 131 -17.017 3.590 -7.601 1090 HA CYS 131 HA CYS 131 -18.541 2.400 -5.544 1091 1HB CYS 131 HB2 CYS 131 -16.288 3.379 -5.212 1092 2HB CYS 131 HB1 CYS 131 -16.970 4.993 -5.417 1093 H SER 132 HN SER 132 -18.704 5.789 -6.701 1094 HA SER 132 HA SER 132 -21.063 6.357 -5.109 1095 1HB SER 132 HB2 SER 132 -19.623 8.199 -5.707 1096 2HB SER 132 HB1 SER 132 -19.758 7.814 -7.421 1097 HG SER 132 HG SER 132 -21.152 9.534 -6.718 1098 H SER 133 HN SER 133 -23.223 6.633 -5.896 1099 HA SER 133 HA SER 133 -23.800 5.717 -8.653 1100 1HB SER 133 HB2 SER 133 -25.237 4.454 -6.315 1101 2HB SER 133 HB1 SER 133 -25.255 3.953 -8.003 1102 HG SER 133 HG SER 133 -23.541 2.820 -7.609 Start of MODEL 19 Raw file had 1102 H/Q atoms Start of MODEL 19 1 1H GLU 1 HT1 GLU 1 -12.868 7.462 8.794 2 2H GLU 1 HT3 GLU 1 -13.050 8.135 10.340 3 3H GLU 1 HT2 GLU 1 -12.013 6.810 10.109 4 HA GLU 1 HA GLU 1 -13.716 5.304 9.913 5 1HB GLU 1 HB2 GLU 1 -14.955 7.437 11.675 6 2HB GLU 1 HB1 GLU 1 -15.183 5.691 11.790 7 1HG GLU 1 HG2 GLU 1 -13.488 5.706 13.284 8 2HG GLU 1 HG1 GLU 1 -12.422 5.990 11.907 9 H ALA 2 HN ALA 2 -15.776 4.751 9.059 10 HA ALA 2 HA ALA 2 -17.619 6.835 8.166 11 1HB ALA 2 HB1 ALA 2 -15.840 6.836 6.392 12 2HB ALA 2 HB3 ALA 2 -16.226 5.145 6.069 13 3HB ALA 2 HB2 ALA 2 -17.436 6.396 5.785 14 H GLU 3 HN GLU 3 -19.128 5.607 9.399 15 HA GLU 3 HA GLU 3 -19.691 2.858 8.381 16 1HB GLU 3 HB2 GLU 3 -19.404 3.745 10.974 17 2HB GLU 3 HB1 GLU 3 -21.156 3.764 10.765 18 1HG GLU 3 HG2 GLU 3 -21.050 1.424 9.915 19 2HG GLU 3 HG1 GLU 3 -19.316 1.411 10.243 20 H ALA 4 HN ALA 4 -20.514 5.149 6.860 21 HA ALA 4 HA ALA 4 -23.478 4.993 7.237 22 1HB ALA 4 HB2 ALA 4 -21.678 7.287 6.650 23 2HB ALA 4 HB1 ALA 4 -23.216 7.248 5.788 24 3HB ALA 4 HB3 ALA 4 -23.193 7.248 7.552 25 H HIS 5 HN HIS 5 -21.489 6.241 4.557 26 HA HIS 5 HA HIS 5 -21.813 3.992 2.835 27 1HB HIS 5 HB2 HIS 5 -24.211 5.393 3.196 28 2HB HIS 5 HB1 HIS 5 -23.591 5.967 1.647 29 HD1 HIS 5 HD1 HIS 5 -24.097 4.492 -0.298 30 HD2 HIS 5 HD2 HIS 5 -24.144 2.364 3.285 31 HE1 HIS 5 HE1 HIS 5 -24.783 2.123 -0.880 32 H LYS 6 HN LYS 6 -21.644 7.536 3.049 33 HA LYS 6 HA LYS 6 -20.419 7.909 0.479 34 1HB LYS 6 HB2 LYS 6 -20.179 9.597 2.973 35 2HB LYS 6 HB1 LYS 6 -19.714 10.095 1.347 36 1HG LYS 6 HG2 LYS 6 -22.247 9.286 0.861 37 2HG LYS 6 HG1 LYS 6 -22.423 9.816 2.534 38 1HD LYS 6 HD2 LYS 6 -22.424 11.964 1.871 39 2HD LYS 6 HD1 LYS 6 -20.835 11.748 1.136 40 1HE LYS 6 HE2 LYS 6 -22.089 10.671 -0.841 41 2HE LYS 6 HE1 LYS 6 -23.549 11.369 -0.136 42 1HZ LYS 6 HZ1 LYS 6 -22.301 13.539 -0.136 43 2HZ LYS 6 HZ3 LYS 6 -21.141 12.787 -1.117 44 3HZ LYS 6 HZ2 LYS 6 -22.742 12.942 -1.663 45 H CYS 7 HN CYS 7 -18.759 6.483 0.211 46 HA CYS 7 HA CYS 7 -16.370 6.843 1.972 47 1HB CYS 7 HB2 CYS 7 -16.012 4.588 2.030 48 2HB CYS 7 HB1 CYS 7 -17.741 4.511 1.687 49 H ASP 8 HN ASP 8 -17.583 7.438 -1.101 50 HA ASP 8 HA ASP 8 -15.391 6.731 -2.787 51 1HB ASP 8 HB2 ASP 8 -16.406 8.138 -4.405 52 2HB ASP 8 HB1 ASP 8 -17.749 7.528 -3.437 53 H ILE 9 HN ILE 9 -15.912 9.430 -0.615 54 HA ILE 9 HA ILE 9 -13.941 11.203 -1.684 55 HB ILE 9 HB ILE 9 -15.007 10.864 1.129 56 1HG1 ILE 9 HG12 ILE 9 -16.372 11.702 -1.004 57 2HG1 ILE 9 HG11 ILE 9 -16.567 12.480 0.567 58 1HG2 ILE 9 HG22 ILE 9 -13.102 12.893 -0.053 59 2HG2 ILE 9 HG21 ILE 9 -14.062 13.234 1.387 60 3HG2 ILE 9 HG23 ILE 9 -12.889 11.918 1.402 61 1HD1 ILE 9 HD13 ILE 9 -14.523 13.419 -1.452 62 2HD1 ILE 9 HD12 ILE 9 -16.171 14.046 -1.416 63 3HD1 ILE 9 HD11 ILE 9 -15.111 14.272 -0.025 64 H THR 10 HN THR 10 -13.592 9.276 1.317 65 HA THR 10 HA THR 10 -10.796 9.606 1.530 66 HB THR 10 HB THR 10 -12.317 7.151 2.420 67 HG1 THR 10 HG1 THR 10 -12.293 9.797 3.349 68 1HG2 THR 10 HG23 THR 10 -9.811 8.577 3.329 69 2HG2 THR 10 HG22 THR 10 -10.655 7.412 4.351 70 3HG2 THR 10 HG21 THR 10 -9.979 6.901 2.804 71 H LEU 11 HN LEU 11 -12.636 7.224 -0.327 72 HA LEU 11 HA LEU 11 -10.306 5.591 -0.907 73 1HB LEU 11 HB2 LEU 11 -13.092 5.352 -1.238 74 2HB LEU 11 HB1 LEU 11 -12.405 5.285 -2.862 75 HG LEU 11 HG LEU 11 -10.819 3.541 -2.118 76 1HD1 LEU 11 HD13 LEU 11 -12.050 4.217 0.509 77 2HD1 LEU 11 HD12 LEU 11 -11.676 2.518 0.218 78 3HD1 LEU 11 HD11 LEU 11 -10.397 3.729 0.134 79 1HD2 LEU 11 HD22 LEU 11 -13.239 3.080 -2.929 80 2HD2 LEU 11 HD21 LEU 11 -12.378 1.765 -2.130 81 3HD2 LEU 11 HD23 LEU 11 -13.581 2.700 -1.242 82 H GLN 12 HN GLN 12 -11.701 8.443 -2.387 83 HA GLN 12 HA GLN 12 -10.357 8.022 -4.944 84 1HB GLN 12 HB2 GLN 12 -11.383 9.960 -5.655 85 2HB GLN 12 HB1 GLN 12 -12.455 9.558 -4.318 86 1HG GLN 12 HG2 GLN 12 -10.905 10.985 -2.853 87 2HG GLN 12 HG1 GLN 12 -10.208 11.576 -4.360 88 1HE2 GLN 12 HE22 GLN 12 -12.747 14.062 -4.152 89 2HE2 GLN 12 HE21 GLN 12 -11.089 13.748 -3.968 90 H GLU 13 HN GLU 13 -9.665 9.715 -1.934 91 HA GLU 13 HA GLU 13 -7.255 10.993 -2.989 92 1HB GLU 13 HB2 GLU 13 -8.768 11.628 -0.896 93 2HB GLU 13 HB1 GLU 13 -7.676 10.527 -0.057 94 1HG GLU 13 HG2 GLU 13 -5.861 11.960 -1.443 95 2HG GLU 13 HG1 GLU 13 -7.121 13.184 -1.273 96 H ILE 14 HN ILE 14 -8.097 8.031 -1.303 97 HA ILE 14 HA ILE 14 -5.395 7.250 -0.653 98 HB ILE 14 HB ILE 14 -8.088 6.140 -0.446 99 1HG1 ILE 14 HG12 ILE 14 -5.774 5.103 1.115 100 2HG1 ILE 14 HG11 ILE 14 -6.123 6.825 1.261 101 1HG2 ILE 14 HG23 ILE 14 -5.800 4.294 -1.188 102 2HG2 ILE 14 HG22 ILE 14 -7.292 3.751 -0.420 103 3HG2 ILE 14 HG21 ILE 14 -7.343 4.476 -2.024 104 1HD1 ILE 14 HD13 ILE 14 -8.629 5.576 1.394 105 2HD1 ILE 14 HD12 ILE 14 -7.567 4.566 2.376 106 3HD1 ILE 14 HD11 ILE 14 -7.734 6.285 2.740 107 H ILE 15 HN ILE 15 -7.459 6.902 -3.483 108 HA ILE 15 HA ILE 15 -5.803 4.919 -4.801 109 HB ILE 15 HB ILE 15 -8.148 6.579 -5.486 110 1HG1 ILE 15 HG12 ILE 15 -8.685 4.413 -6.720 111 2HG1 ILE 15 HG11 ILE 15 -7.163 3.778 -6.093 112 1HG2 ILE 15 HG21 ILE 15 -6.076 5.791 -7.549 113 2HG2 ILE 15 HG23 ILE 15 -7.758 6.121 -7.960 114 3HG2 ILE 15 HG22 ILE 15 -6.756 7.393 -7.264 115 1HD1 ILE 15 HD12 ILE 15 -8.187 4.714 -3.797 116 2HD1 ILE 15 HD11 ILE 15 -9.695 4.395 -4.652 117 3HD1 ILE 15 HD13 ILE 15 -8.540 3.090 -4.386 118 H LYS 16 HN LYS 16 -6.166 8.456 -5.205 119 HA LYS 16 HA LYS 16 -4.154 8.817 -7.154 120 1HB LYS 16 HB2 LYS 16 -5.583 10.494 -5.237 121 2HB LYS 16 HB1 LYS 16 -3.924 11.041 -5.486 122 1HG LYS 16 HG2 LYS 16 -4.976 12.134 -7.239 123 2HG LYS 16 HG1 LYS 16 -4.528 10.625 -8.039 124 1HD LYS 16 HD2 LYS 16 -6.757 10.633 -8.593 125 2HD LYS 16 HD1 LYS 16 -6.896 9.868 -7.010 126 1HE LYS 16 HE2 LYS 16 -7.602 11.853 -5.970 127 2HE LYS 16 HE1 LYS 16 -6.966 12.867 -7.266 128 1HZ LYS 16 HZ2 LYS 16 -8.680 11.493 -8.669 129 2HZ LYS 16 HZ1 LYS 16 -9.447 11.318 -7.164 130 3HZ LYS 16 HZ3 LYS 16 -9.165 12.867 -7.795 131 H THR 17 HN THR 17 -3.890 8.431 -3.650 132 HA THR 17 HA THR 17 -1.076 9.074 -3.510 133 HB THR 17 HB THR 17 -2.464 7.211 -1.591 134 HG1 THR 17 HG1 THR 17 -3.666 8.791 -0.862 135 1HG2 THR 17 HG23 THR 17 -0.058 8.871 -1.667 136 2HG2 THR 17 HG22 THR 17 -1.043 9.177 -0.237 137 3HG2 THR 17 HG21 THR 17 -0.472 7.544 -0.581 138 H LEU 18 HN LEU 18 -2.908 6.078 -4.010 139 HA LEU 18 HA LEU 18 -0.793 4.228 -3.720 140 1HB LEU 18 HB2 LEU 18 -3.428 4.029 -4.442 141 2HB LEU 18 HB1 LEU 18 -2.635 3.708 -5.982 142 HG LEU 18 HG LEU 18 -2.440 2.164 -3.400 143 1HD1 LEU 18 HD11 LEU 18 -3.988 1.717 -5.491 144 2HD1 LEU 18 HD13 LEU 18 -2.511 1.039 -6.177 145 3HD1 LEU 18 HD12 LEU 18 -3.175 0.375 -4.686 146 1HD2 LEU 18 HD23 LEU 18 -0.383 2.397 -5.594 147 2HD2 LEU 18 HD22 LEU 18 -0.133 2.366 -3.849 148 3HD2 LEU 18 HD21 LEU 18 -0.570 0.887 -4.704 149 H ASN 19 HN ASN 19 -1.839 6.053 -6.601 150 HA ASN 19 HA ASN 19 0.179 4.985 -8.349 151 1HB ASN 19 HB2 ASN 19 -1.584 7.427 -8.414 152 2HB ASN 19 HB1 ASN 19 -0.335 7.188 -9.637 153 1HD2 ASN 19 HD22 ASN 19 -3.322 5.562 -11.052 154 2HD2 ASN 19 HD21 ASN 19 -2.775 7.141 -10.749 155 H SER 20 HN SER 20 0.117 7.785 -6.173 156 HA SER 20 HA SER 20 2.505 9.032 -7.108 157 1HB SER 20 HB2 SER 20 1.645 8.962 -4.212 158 2HB SER 20 HB1 SER 20 2.513 10.241 -5.055 159 HG SER 20 HG SER 20 0.534 10.998 -5.218 160 H LEU 21 HN LEU 21 1.979 6.256 -5.021 161 HA LEU 21 HA LEU 21 4.725 6.149 -4.068 162 1HB LEU 21 HB2 LEU 21 2.489 4.102 -4.089 163 2HB LEU 21 HB1 LEU 21 4.066 3.817 -3.352 164 HG LEU 21 HG LEU 21 2.482 6.269 -2.620 165 1HD1 LEU 21 HD11 LEU 21 1.601 3.589 -2.214 166 2HD1 LEU 21 HD13 LEU 21 2.159 4.205 -0.657 167 3HD1 LEU 21 HD12 LEU 21 0.908 5.070 -1.553 168 1HD2 LEU 21 HD23 LEU 21 4.698 4.605 -1.435 169 2HD2 LEU 21 HD22 LEU 21 4.665 6.341 -1.740 170 3HD2 LEU 21 HD21 LEU 21 3.729 5.661 -0.409 171 H THR 22 HN THR 22 2.994 4.930 -6.861 172 HA THR 22 HA THR 22 4.786 2.873 -7.657 173 HB THR 22 HB THR 22 3.220 4.728 -9.467 174 HG1 THR 22 HG1 THR 22 2.509 2.345 -8.109 175 1HG2 THR 22 HG22 THR 22 4.963 2.499 -9.941 176 2HG2 THR 22 HG21 THR 22 3.317 2.039 -10.373 177 3HG2 THR 22 HG23 THR 22 4.060 3.457 -11.114 178 H GLU 23 HN GLU 23 5.264 6.304 -7.624 179 HA GLU 23 HA GLU 23 6.999 6.711 -9.796 180 1HB GLU 23 HB2 GLU 23 6.266 8.543 -8.348 181 2HB GLU 23 HB1 GLU 23 7.181 7.871 -6.999 182 1HG GLU 23 HG2 GLU 23 9.276 8.142 -8.315 183 2HG GLU 23 HG1 GLU 23 8.341 8.884 -9.613 184 H GLN 24 HN GLN 24 7.601 5.047 -6.761 185 HA GLN 24 HA GLN 24 10.253 4.203 -7.836 186 1HB GLN 24 HB2 GLN 24 10.387 6.117 -6.096 187 2HB GLN 24 HB1 GLN 24 9.893 4.896 -4.923 188 1HG GLN 24 HG2 GLN 24 12.297 4.930 -4.917 189 2HG GLN 24 HG1 GLN 24 11.809 3.463 -5.766 190 1HE2 GLN 24 HE22 GLN 24 14.338 4.942 -7.972 191 2HE2 GLN 24 HE21 GLN 24 14.273 4.111 -6.494 192 H LYS 25 HN LYS 25 8.101 2.585 -8.055 193 HA LYS 25 HA LYS 25 8.369 0.689 -5.757 194 1HB LYS 25 HB2 LYS 25 6.052 1.268 -7.606 195 2HB LYS 25 HB1 LYS 25 6.129 -0.204 -6.637 196 1HG LYS 25 HG2 LYS 25 6.641 2.411 -5.284 197 2HG LYS 25 HG1 LYS 25 4.974 1.990 -5.680 198 1HD LYS 25 HD2 LYS 25 5.229 -0.148 -4.475 199 2HD LYS 25 HD1 LYS 25 6.896 0.274 -4.080 200 1HE LYS 25 HE2 LYS 25 5.915 1.070 -2.166 201 2HE LYS 25 HE1 LYS 25 5.666 2.495 -3.176 202 1HZ LYS 25 HZ2 LYS 25 3.706 0.281 -2.956 203 2HZ LYS 25 HZ1 LYS 25 3.648 1.684 -1.997 204 3HZ LYS 25 HZ3 LYS 25 3.474 1.801 -3.680 205 H THR 26 HN THR 26 10.282 0.689 -7.807 206 HA THR 26 HA THR 26 9.579 -1.816 -9.285 207 HB THR 26 HB THR 26 11.807 -0.640 -10.536 208 HG1 THR 26 HG1 THR 26 11.125 1.456 -10.899 209 1HG2 THR 26 HG23 THR 26 8.907 -1.036 -11.131 210 2HG2 THR 26 HG22 THR 26 9.842 -0.012 -12.222 211 3HG2 THR 26 HG21 THR 26 10.322 -1.689 -11.958 212 H LEU 27 HN LEU 27 12.171 0.012 -7.691 213 HA LEU 27 HA LEU 27 13.848 -2.420 -7.510 214 1HB LEU 27 HB2 LEU 27 14.319 0.398 -7.544 215 2HB LEU 27 HB1 LEU 27 14.894 -0.222 -5.997 216 HG LEU 27 HG LEU 27 16.026 -2.090 -7.381 217 1HD1 LEU 27 HD11 LEU 27 14.748 -1.530 -9.470 218 2HD1 LEU 27 HD13 LEU 27 15.648 -0.016 -9.561 219 3HD1 LEU 27 HD12 LEU 27 16.496 -1.555 -9.703 220 1HD2 LEU 27 HD21 LEU 27 16.956 0.789 -7.648 221 2HD2 LEU 27 HD23 LEU 27 17.266 -0.270 -6.273 222 3HD2 LEU 27 HD22 LEU 27 17.978 -0.635 -7.843 223 H CYS 28 HN CYS 28 12.088 -0.177 -5.396 224 HA CYS 28 HA CYS 28 12.792 -1.638 -2.975 225 1HB CYS 28 HB2 CYS 28 11.153 0.725 -3.678 226 2HB CYS 28 HB1 CYS 28 10.600 -0.186 -2.272 227 H THR 29 HN THR 29 10.580 -2.229 -5.505 228 HA THR 29 HA THR 29 8.601 -3.571 -3.796 229 HB THR 29 HB THR 29 7.694 -4.252 -6.118 230 HG1 THR 29 HG1 THR 29 8.852 -3.655 -7.741 231 1HG2 THR 29 HG21 THR 29 6.848 -2.384 -4.651 232 2HG2 THR 29 HG23 THR 29 7.923 -1.293 -5.527 233 3HG2 THR 29 HG22 THR 29 6.613 -2.114 -6.378 234 H GLU 30 HN GLU 30 11.631 -4.447 -4.488 235 HA GLU 30 HA GLU 30 11.003 -7.215 -5.342 236 1HB GLU 30 HB2 GLU 30 13.298 -5.425 -5.564 237 2HB GLU 30 HB1 GLU 30 13.764 -6.999 -4.923 238 1HG GLU 30 HG2 GLU 30 11.953 -7.554 -7.005 239 2HG GLU 30 HG1 GLU 30 13.005 -6.282 -7.625 240 H LEU 31 HN LEU 31 9.887 -7.381 -3.148 241 HA LEU 31 HA LEU 31 11.800 -8.528 -1.202 242 1HB LEU 31 HB2 LEU 31 9.593 -6.643 -0.335 243 2HB LEU 31 HB1 LEU 31 10.861 -7.341 0.670 244 HG LEU 31 HG LEU 31 11.389 -5.451 -1.642 245 1HD1 LEU 31 HD12 LEU 31 10.929 -4.984 1.295 246 2HD1 LEU 31 HD11 LEU 31 11.972 -3.903 0.370 247 3HD1 LEU 31 HD13 LEU 31 10.278 -4.096 -0.082 248 1HD2 LEU 31 HD21 LEU 31 13.084 -7.214 -0.370 249 2HD2 LEU 31 HD23 LEU 31 13.600 -5.732 -1.174 250 3HD2 LEU 31 HD22 LEU 31 13.318 -5.739 0.567 251 H THR 32 HN THR 32 10.979 -10.570 -1.691 252 HA THR 32 HA THR 32 8.331 -11.377 -2.100 253 HB THR 32 HB THR 32 9.064 -13.593 -1.122 254 HG1 THR 32 HG1 THR 32 11.374 -13.600 -0.632 255 1HG2 THR 32 HG21 THR 32 9.868 -12.297 -3.459 256 2HG2 THR 32 HG23 THR 32 11.363 -12.954 -2.797 257 3HG2 THR 32 HG22 THR 32 10.001 -14.023 -3.128 258 H VAL 33 HN VAL 33 6.928 -10.242 -0.836 259 HA VAL 33 HA VAL 33 7.022 -10.593 2.089 260 HB VAL 33 HB VAL 33 4.856 -9.106 1.886 261 1HG1 VAL 33 HG12 VAL 33 7.739 -8.361 1.557 262 2HG1 VAL 33 HG11 VAL 33 6.517 -7.092 1.482 263 3HG1 VAL 33 HG13 VAL 33 6.661 -8.091 2.927 264 1HG2 VAL 33 HG21 VAL 33 5.119 -9.458 -0.767 265 2HG2 VAL 33 HG23 VAL 33 4.493 -7.956 -0.087 266 3HG2 VAL 33 HG22 VAL 33 6.179 -8.064 -0.582 267 H THR 34 HN THR 34 3.910 -10.454 0.432 268 HA THR 34 HA THR 34 3.480 -13.334 0.660 269 HB THR 34 HB THR 34 2.894 -11.597 2.870 270 HG1 THR 34 HG1 THR 34 2.351 -13.617 3.785 271 1HG2 THR 34 HG23 THR 34 0.470 -12.917 1.606 272 2HG2 THR 34 HG22 THR 34 0.517 -12.202 3.215 273 3HG2 THR 34 HG21 THR 34 0.729 -11.181 1.795 274 H ASP 35 HN ASP 35 1.482 -13.977 -0.334 275 HA ASP 35 HA ASP 35 0.354 -11.876 -2.112 276 1HB ASP 35 HB2 ASP 35 1.114 -14.512 -2.586 277 2HB ASP 35 HB1 ASP 35 -0.644 -14.608 -2.478 278 H ILE 36 HN ILE 36 -1.292 -10.833 -1.031 279 HA ILE 36 HA ILE 36 -3.063 -12.383 0.755 280 HB ILE 36 HB ILE 36 -3.819 -10.316 1.586 281 1HG1 ILE 36 HG12 ILE 36 -2.916 -9.214 -1.082 282 2HG1 ILE 36 HG11 ILE 36 -4.539 -9.196 -0.390 283 1HG2 ILE 36 HG22 ILE 36 -1.207 -10.837 1.633 284 2HG2 ILE 36 HG21 ILE 36 -1.138 -9.351 0.687 285 3HG2 ILE 36 HG23 ILE 36 -1.854 -9.338 2.299 286 1HD1 ILE 36 HD11 ILE 36 -3.586 -7.762 1.489 287 2HD1 ILE 36 HD13 ILE 36 -2.131 -7.597 0.505 288 3HD1 ILE 36 HD12 ILE 36 -3.673 -6.984 -0.091 289 H PHE 37 HN PHE 37 -3.092 -12.511 -2.358 290 HA PHE 37 HA PHE 37 -6.007 -11.902 -2.644 291 1HB PHE 37 HB2 PHE 37 -3.855 -11.988 -4.784 292 2HB PHE 37 HB1 PHE 37 -5.570 -11.708 -5.081 293 HD1 PHE 37 HD2 PHE 37 -6.685 -9.670 -4.141 294 HD2 PHE 37 HD1 PHE 37 -2.434 -10.252 -3.953 295 HE1 PHE 37 HE2 PHE 37 -6.375 -7.257 -3.662 296 HE2 PHE 37 HE1 PHE 37 -2.125 -7.842 -3.476 297 HZ PHE 37 HZ PHE 37 -4.093 -6.344 -3.327 298 H ALA 38 HN ALA 38 -4.792 -14.364 -1.567 299 HA ALA 38 HA ALA 38 -5.295 -16.308 -3.762 300 1HB ALA 38 HB1 ALA 38 -4.202 -16.731 -0.963 301 2HB ALA 38 HB3 ALA 38 -4.350 -17.977 -2.201 302 3HB ALA 38 HB2 ALA 38 -3.241 -16.626 -2.438 303 H ALA 39 HN ALA 39 -6.609 -15.180 -0.707 304 HA ALA 39 HA ALA 39 -8.921 -17.031 -1.132 305 1HB ALA 39 HB2 ALA 39 -7.398 -16.382 1.379 306 2HB ALA 39 HB1 ALA 39 -9.105 -16.813 1.477 307 3HB ALA 39 HB3 ALA 39 -7.946 -17.951 0.789 308 H SER 40 HN SER 40 -10.950 -16.169 -0.076 309 HA SER 40 HA SER 40 -11.025 -13.319 0.562 310 1HB SER 40 HB2 SER 40 -10.947 -13.292 -1.927 311 2HB SER 40 HB1 SER 40 -12.390 -14.302 -1.963 312 HG SER 40 HG SER 40 -12.614 -11.893 -2.090 313 H LYS 41 HN LYS 41 -11.869 -14.673 2.443 314 HA LYS 41 HA LYS 41 -14.590 -15.757 2.066 315 1HB LYS 41 HB2 LYS 41 -12.730 -15.583 4.451 316 2HB LYS 41 HB1 LYS 41 -14.381 -16.195 4.569 317 1HG LYS 41 HG2 LYS 41 -13.873 -17.917 2.880 318 2HG LYS 41 HG1 LYS 41 -12.222 -17.307 2.752 319 1HD LYS 41 HD2 LYS 41 -12.573 -17.677 5.488 320 2HD LYS 41 HD1 LYS 41 -13.392 -19.064 4.771 321 1HE LYS 41 HE2 LYS 41 -11.454 -19.912 3.850 322 2HE LYS 41 HE1 LYS 41 -10.723 -18.319 3.660 323 1HZ LYS 41 HZ3 LYS 41 -11.222 -19.401 6.352 324 2HZ LYS 41 HZ2 LYS 41 -9.851 -19.897 5.482 325 3HZ LYS 41 HZ1 LYS 41 -10.075 -18.255 5.856 326 H ASP 42 HN ASP 42 -12.966 -13.010 3.602 327 HA ASP 42 HA ASP 42 -15.537 -11.560 3.630 328 1HB ASP 42 HB2 ASP 42 -15.117 -12.854 5.876 329 2HB ASP 42 HB1 ASP 42 -13.944 -11.572 6.178 330 H THR 43 HN THR 43 -12.719 -11.415 2.407 331 HA THR 43 HA THR 43 -11.870 -8.802 3.518 332 HB THR 43 HB THR 43 -9.894 -9.035 2.115 333 HG1 THR 43 HG1 THR 43 -11.111 -11.443 1.239 334 1HG2 THR 43 HG21 THR 43 -10.264 -10.353 4.348 335 2HG2 THR 43 HG23 THR 43 -10.290 -11.767 3.296 336 3HG2 THR 43 HG22 THR 43 -8.864 -10.732 3.344 337 H THR 44 HN THR 44 -13.035 -7.158 2.691 338 HA THR 44 HA THR 44 -13.678 -7.244 -0.207 339 HB THR 44 HB THR 44 -15.127 -5.141 0.964 340 HG1 THR 44 HG1 THR 44 -16.220 -6.745 2.526 341 1HG2 THR 44 HG23 THR 44 -15.639 -7.032 -0.812 342 2HG2 THR 44 HG22 THR 44 -16.323 -7.858 0.587 343 3HG2 THR 44 HG21 THR 44 -16.949 -6.283 0.101 344 H GLU 45 HN GLU 45 -13.550 -4.411 1.901 345 HA GLU 45 HA GLU 45 -11.286 -3.419 0.229 346 1HB GLU 45 HB2 GLU 45 -12.278 -1.263 0.023 347 2HB GLU 45 HB1 GLU 45 -13.570 -2.401 -0.352 348 1HG GLU 45 HG2 GLU 45 -14.332 -2.239 2.029 349 2HG GLU 45 HG1 GLU 45 -13.117 -0.987 2.290 350 H LYS 46 HN LYS 46 -13.057 -3.147 3.303 351 HA LYS 46 HA LYS 46 -11.004 -1.567 4.591 352 1HB LYS 46 HB2 LYS 46 -12.249 -1.982 6.627 353 2HB LYS 46 HB1 LYS 46 -13.414 -1.711 5.330 354 1HG LYS 46 HG2 LYS 46 -13.228 -4.340 5.054 355 2HG LYS 46 HG1 LYS 46 -12.703 -4.261 6.735 356 1HD LYS 46 HD2 LYS 46 -14.778 -2.834 7.172 357 2HD LYS 46 HD1 LYS 46 -15.326 -3.316 5.566 358 1HE LYS 46 HE2 LYS 46 -14.422 -5.649 6.982 359 2HE LYS 46 HE1 LYS 46 -15.574 -4.774 7.992 360 1HZ LYS 46 HZ2 LYS 46 -16.237 -5.086 5.167 361 2HZ LYS 46 HZ1 LYS 46 -16.340 -6.473 6.143 362 3HZ LYS 46 HZ3 LYS 46 -17.252 -5.096 6.529 363 H GLU 47 HN GLU 47 -11.578 -5.015 4.112 364 HA GLU 47 HA GLU 47 -9.533 -5.766 6.092 365 1HB GLU 47 HB2 GLU 47 -11.599 -7.108 4.593 366 2HB GLU 47 HB1 GLU 47 -10.062 -7.939 4.354 367 1HG GLU 47 HG2 GLU 47 -9.810 -8.411 6.629 368 2HG GLU 47 HG1 GLU 47 -10.877 -7.095 7.120 369 H THR 48 HN THR 48 -9.783 -5.351 2.600 370 HA THR 48 HA THR 48 -7.202 -6.530 2.013 371 HB THR 48 HB THR 48 -8.130 -4.445 0.154 372 HG1 THR 48 HG1 THR 48 -10.143 -4.986 0.701 373 1HG2 THR 48 HG21 THR 48 -6.463 -6.392 -0.183 374 2HG2 THR 48 HG23 THR 48 -7.895 -7.413 -0.310 375 3HG2 THR 48 HG22 THR 48 -7.646 -6.099 -1.458 376 H PHE 49 HN PHE 49 -8.269 -3.293 2.919 377 HA PHE 49 HA PHE 49 -5.674 -2.100 2.271 378 1HB PHE 49 HB2 PHE 49 -8.035 -0.992 3.815 379 2HB PHE 49 HB1 PHE 49 -6.600 -0.069 3.377 380 HD1 PHE 49 HD2 PHE 49 -6.124 -1.238 0.608 381 HD2 PHE 49 HD1 PHE 49 -9.709 0.126 2.550 382 HE1 PHE 49 HE2 PHE 49 -7.138 -0.759 -1.596 383 HE2 PHE 49 HE1 PHE 49 -10.718 0.608 0.338 384 HZ PHE 49 HZ PHE 49 -9.434 0.166 -1.734 385 H CYS 50 HN CYS 50 -7.281 -3.368 5.154 386 HA CYS 50 HA CYS 50 -5.344 -2.299 7.017 387 1HB CYS 50 HB2 CYS 50 -7.499 -3.046 7.843 388 2HB CYS 50 HB1 CYS 50 -7.232 -4.667 7.202 389 NH1 ARG 51 NH2 ARG 51 -5.782 -10.561 4.267 390 NH2 ARG 51 NH1 ARG 51 -6.712 -12.195 5.517 391 H ARG 51 HN ARG 51 -5.725 -5.582 5.613 392 HA ARG 51 HA ARG 51 -3.314 -6.629 6.722 393 1HB ARG 51 HB2 ARG 51 -5.130 -7.369 4.472 394 2HB ARG 51 HB1 ARG 51 -3.519 -8.086 4.477 395 1HG ARG 51 HG2 ARG 51 -4.364 -9.614 5.915 396 2HG ARG 51 HG1 ARG 51 -4.312 -8.331 7.120 397 1HD ARG 51 HD2 ARG 51 -6.558 -8.187 7.185 398 2HD ARG 51 HD1 ARG 51 -6.678 -8.101 5.432 399 HE ARG 51 HE ARG 51 -7.282 -10.375 7.044 400 1HH1 ARG 51 HH21 ARG 51 -5.578 -9.599 4.105 401 2HH1 ARG 51 HH22 ARG 51 -5.524 -11.244 3.584 402 1HH2 ARG 51 HH11 ARG 51 -7.219 -12.488 6.328 403 2HH2 ARG 51 HH12 ARG 51 -6.451 -12.866 4.822 404 H ALA 52 HN ALA 52 -3.926 -5.231 3.475 405 HA ALA 52 HA ALA 52 -1.205 -5.362 2.611 406 1HB ALA 52 HB3 ALA 52 -3.546 -3.637 1.814 407 2HB ALA 52 HB2 ALA 52 -1.955 -3.412 1.088 408 3HB ALA 52 HB1 ALA 52 -2.796 -4.953 0.912 409 H ALA 53 HN ALA 53 -2.825 -3.219 4.824 410 HA ALA 53 HA ALA 53 -0.911 -1.043 4.608 411 1HB ALA 53 HB3 ALA 53 -3.031 -1.787 6.630 412 2HB ALA 53 HB2 ALA 53 -1.935 -0.434 6.903 413 3HB ALA 53 HB1 ALA 53 -3.019 -0.424 5.512 414 H THR 54 HN THR 54 -1.220 -3.978 6.539 415 HA THR 54 HA THR 54 0.871 -3.365 8.416 416 HB THR 54 HB THR 54 -0.083 -6.063 7.392 417 HG1 THR 54 HG1 THR 54 -0.734 -4.889 9.857 418 1HG2 THR 54 HG23 THR 54 1.755 -5.203 9.610 419 2HG2 THR 54 HG22 THR 54 0.795 -6.673 9.784 420 3HG2 THR 54 HG21 THR 54 1.949 -6.525 8.457 421 H VAL 55 HN VAL 55 0.814 -5.077 5.292 422 HA VAL 55 HA VAL 55 3.623 -5.658 5.206 423 HB VAL 55 HB VAL 55 1.596 -5.222 2.988 424 1HG1 VAL 55 HG11 VAL 55 4.525 -5.751 2.945 425 2HG1 VAL 55 HG13 VAL 55 3.536 -6.710 1.844 426 3HG1 VAL 55 HG12 VAL 55 3.508 -4.949 1.747 427 1HG2 VAL 55 HG22 VAL 55 1.709 -7.250 4.784 428 2HG2 VAL 55 HG21 VAL 55 1.171 -7.471 3.119 429 3HG2 VAL 55 HG23 VAL 55 2.830 -7.862 3.569 430 H LEU 56 HN LEU 56 1.707 -2.812 4.429 431 HA LEU 56 HA LEU 56 3.760 -1.358 3.031 432 1HB LEU 56 HB2 LEU 56 1.287 -0.501 4.553 433 2HB LEU 56 HB1 LEU 56 2.348 0.655 3.747 434 HG LEU 56 HG LEU 56 1.295 -1.729 2.243 435 1HD1 LEU 56 HD11 LEU 56 -0.293 0.400 3.369 436 2HD1 LEU 56 HD13 LEU 56 -0.285 0.532 1.610 437 3HD1 LEU 56 HD12 LEU 56 -0.817 -0.963 2.381 438 1HD2 LEU 56 HD22 LEU 56 2.415 0.993 1.624 439 2HD2 LEU 56 HD21 LEU 56 2.920 -0.581 1.005 440 3HD2 LEU 56 HD23 LEU 56 1.421 0.152 0.434 441 NH1 ARG 57 NH2 ARG 57 5.838 -3.925 12.736 442 NH2 ARG 57 NH1 ARG 57 7.493 -4.495 11.309 443 H ARG 57 HN ARG 57 2.970 -1.825 6.423 444 HA ARG 57 HA ARG 57 4.573 0.281 7.511 445 1HB ARG 57 HB2 ARG 57 2.910 -0.997 8.841 446 2HB ARG 57 HB1 ARG 57 3.916 -2.437 8.696 447 1HG ARG 57 HG2 ARG 57 5.739 -0.644 9.654 448 2HG ARG 57 HG1 ARG 57 4.264 -0.062 10.423 449 1HD ARG 57 HD2 ARG 57 4.870 -1.659 11.970 450 2HD ARG 57 HD1 ARG 57 3.918 -2.668 10.883 451 HE ARG 57 HE ARG 57 6.485 -2.803 9.845 452 1HH1 ARG 57 HH21 ARG 57 5.033 -3.380 12.967 453 2HH1 ARG 57 HH22 ARG 57 6.185 -4.595 13.391 454 1HH2 ARG 57 HH11 ARG 57 7.961 -4.385 10.433 455 2HH2 ARG 57 HH12 ARG 57 7.826 -5.162 11.975 456 H GLN 58 HN GLN 58 5.287 -3.193 7.009 457 HA GLN 58 HA GLN 58 8.029 -3.049 7.776 458 1HB GLN 58 HB2 GLN 58 6.433 -4.910 6.040 459 2HB GLN 58 HB1 GLN 58 8.190 -5.067 6.101 460 1HG GLN 58 HG2 GLN 58 6.794 -4.783 8.710 461 2HG GLN 58 HG1 GLN 58 6.560 -6.308 7.856 462 1HE2 GLN 58 HE22 GLN 58 9.588 -7.310 9.419 463 2HE2 GLN 58 HE21 GLN 58 7.902 -7.513 9.369 464 H PHE 59 HN PHE 59 6.392 -2.122 4.829 465 HA PHE 59 HA PHE 59 8.627 -2.085 3.057 466 1HB PHE 59 HB2 PHE 59 6.188 -1.811 2.434 467 2HB PHE 59 HB1 PHE 59 6.277 -0.168 3.062 468 HD1 PHE 59 HD2 PHE 59 8.192 1.344 2.098 469 HD2 PHE 59 HD1 PHE 59 6.755 -2.237 0.206 470 HE1 PHE 59 HE2 PHE 59 9.109 2.120 -0.072 471 HE2 PHE 59 HE1 PHE 59 7.671 -1.456 -1.963 472 HZ PHE 59 HZ PHE 59 8.845 0.722 -2.100 473 OH TYR 60 OH TYR 60 5.524 3.976 10.128 474 H TYR 60 HN TYR 60 7.142 0.709 4.760 475 HA TYR 60 HA TYR 60 9.644 2.221 4.361 476 1HB TYR 60 HB2 TYR 60 8.399 4.111 4.709 477 2HB TYR 60 HB1 TYR 60 7.080 3.028 4.270 478 HD1 TYR 60 HD2 TYR 60 5.963 1.690 6.209 479 HD2 TYR 60 HD1 TYR 60 8.382 5.193 6.792 480 HE1 TYR 60 HE2 TYR 60 4.947 2.020 8.447 481 HE2 TYR 60 HE1 TYR 60 7.366 5.521 9.030 482 HH TYR 60 HH TYR 60 4.867 4.672 10.054 483 H SER 61 HN SER 61 8.953 -0.076 6.524 484 HA SER 61 HA SER 61 9.739 1.427 8.942 485 1HB SER 61 HB2 SER 61 8.067 -0.253 9.319 486 2HB SER 61 HB1 SER 61 8.997 -1.462 8.440 487 HG SER 61 HG SER 61 9.454 -0.329 10.978 488 H HIS 62 HN HIS 62 10.908 -1.528 7.298 489 HA HIS 62 HA HIS 62 13.577 -1.094 8.484 490 1HB HIS 62 HB2 HIS 62 12.123 -3.346 7.206 491 2HB HIS 62 HB1 HIS 62 13.877 -3.329 7.005 492 HD1 HIS 62 HD1 HIS 62 14.867 -4.785 8.779 493 HD2 HIS 62 HD2 HIS 62 11.701 -2.511 10.256 494 HE1 HIS 62 HE1 HIS 62 14.722 -5.282 11.259 495 H HIS 63 HN HIS 63 12.091 -1.186 5.245 496 HA HIS 63 HA HIS 63 14.711 -0.687 3.991 497 1HB HIS 63 HB2 HIS 63 12.017 -0.711 2.631 498 2HB HIS 63 HB1 HIS 63 13.599 -1.011 1.911 499 HD1 HIS 63 HD1 HIS 63 14.851 -3.055 3.672 500 HD2 HIS 63 HD2 HIS 63 10.783 -3.171 2.771 501 HE1 HIS 63 HE1 HIS 63 14.100 -5.442 4.061 502 H GLU 64 HN GLU 64 13.157 1.414 5.713 503 HA GLU 64 HA GLU 64 12.796 3.515 3.664 504 1HB GLU 64 HB2 GLU 64 12.158 4.943 5.637 505 2HB GLU 64 HB1 GLU 64 11.146 3.516 5.424 506 1HG GLU 64 HG2 GLU 64 12.074 2.420 7.251 507 2HG GLU 64 HG1 GLU 64 13.576 3.342 7.166 508 H LYS 65 HN LYS 65 15.144 2.478 6.036 509 HA LYS 65 HA LYS 65 16.801 4.864 5.313 510 1HB LYS 65 HB2 LYS 65 16.017 4.804 7.711 511 2HB LYS 65 HB1 LYS 65 16.933 3.311 7.912 512 1HG LYS 65 HG2 LYS 65 18.577 5.320 6.639 513 2HG LYS 65 HG1 LYS 65 17.908 5.950 8.143 514 1HD LYS 65 HD2 LYS 65 18.666 3.370 8.830 515 2HD LYS 65 HD1 LYS 65 19.947 3.888 7.735 516 1HE LYS 65 HE2 LYS 65 19.027 5.812 9.831 517 2HE LYS 65 HE1 LYS 65 20.049 4.463 10.331 518 1HZ LYS 65 HZ3 LYS 65 21.602 5.121 8.528 519 2HZ LYS 65 HZ2 LYS 65 20.661 6.514 8.277 520 3HZ LYS 65 HZ1 LYS 65 21.452 6.275 9.762 521 H ASP 66 HN ASP 66 16.651 2.171 4.031 522 HA ASP 66 HA ASP 66 19.348 1.105 4.728 523 1HB ASP 66 HB2 ASP 66 17.035 -0.085 3.177 524 2HB ASP 66 HB1 ASP 66 18.620 -0.852 3.302 525 H THR 67 HN THR 67 20.927 0.846 3.087 526 HA THR 67 HA THR 67 20.598 2.703 0.811 527 HB THR 67 HB THR 67 22.980 2.530 0.546 528 HG1 THR 67 HG1 THR 67 24.023 0.801 1.116 529 1HG2 THR 67 HG23 THR 67 22.207 3.862 2.476 530 2HG2 THR 67 HG22 THR 67 22.295 2.426 3.497 531 3HG2 THR 67 HG21 THR 67 23.767 3.108 2.805 532 NH1 ARG 68 NH2 ARG 68 20.038 -7.130 2.200 533 NH2 ARG 68 NH1 ARG 68 22.089 -6.785 3.084 534 H ARG 68 HN ARG 68 19.466 -0.249 1.093 535 HA ARG 68 HA ARG 68 20.787 -1.580 -1.155 536 1HB ARG 68 HB2 ARG 68 18.224 -2.266 0.320 537 2HB ARG 68 HB1 ARG 68 19.051 -3.310 -0.837 538 1HG ARG 68 HG2 ARG 68 21.118 -2.796 0.800 539 2HG ARG 68 HG1 ARG 68 19.802 -2.612 1.960 540 1HD ARG 68 HD2 ARG 68 19.029 -4.829 1.602 541 2HD ARG 68 HD1 ARG 68 19.981 -5.007 0.129 542 HE ARG 68 HE ARG 68 21.883 -4.559 2.088 543 1HH1 ARG 68 HH21 ARG 68 19.248 -6.812 1.679 544 2HH1 ARG 68 HH22 ARG 68 20.043 -8.057 2.577 545 1HH2 ARG 68 HH11 ARG 68 22.879 -6.193 3.239 546 2HH2 ARG 68 HH12 ARG 68 22.078 -7.713 3.455 547 H CYS 69 HN CYS 69 17.937 0.397 -0.611 548 HA CYS 69 HA CYS 69 16.952 -0.089 -3.353 549 1HB CYS 69 HB2 CYS 69 15.679 0.525 -0.990 550 2HB CYS 69 HB1 CYS 69 15.727 2.091 -1.801 551 H LEU 70 HN LEU 70 18.713 2.326 -1.514 552 HA LEU 70 HA LEU 70 18.441 4.583 -3.173 553 1HB LEU 70 HB2 LEU 70 20.916 3.609 -1.707 554 2HB LEU 70 HB1 LEU 70 20.697 5.237 -2.351 555 HG LEU 70 HG LEU 70 18.876 3.938 -0.305 556 1HD1 LEU 70 HD13 LEU 70 21.419 4.821 0.165 557 2HD1 LEU 70 HD12 LEU 70 20.496 6.303 0.415 558 3HD1 LEU 70 HD11 LEU 70 20.124 4.862 1.362 559 1HD2 LEU 70 HD22 LEU 70 18.901 6.531 -1.794 560 2HD2 LEU 70 HD21 LEU 70 17.531 5.542 -1.287 561 3HD2 LEU 70 HD23 LEU 70 18.371 6.556 -0.112 562 H GLY 71 HN GLY 71 21.206 2.302 -3.321 563 1HA GLY 71 HA2 GLY 71 21.876 1.247 -5.431 564 2HA GLY 71 HA1 GLY 71 21.143 2.604 -6.287 565 H ALA 72 HN ALA 72 23.013 3.260 -7.391 566 HA ALA 72 HA ALA 72 25.295 4.136 -5.669 567 1HB ALA 72 HB1 ALA 72 25.191 3.334 -8.587 568 2HB ALA 72 HB3 ALA 72 26.602 4.079 -7.837 569 3HB ALA 72 HB2 ALA 72 26.036 2.504 -7.280 570 H THR 73 HN THR 73 22.913 5.146 -8.029 571 HA THR 73 HA THR 73 24.160 7.711 -8.587 572 HB THR 73 HB THR 73 22.518 6.590 -10.119 573 HG1 THR 73 HG1 THR 73 22.857 9.051 -9.671 574 1HG2 THR 73 HG23 THR 73 20.989 6.449 -7.748 575 2HG2 THR 73 HG22 THR 73 20.139 7.569 -8.813 576 3HG2 THR 73 HG21 THR 73 20.505 5.934 -9.363 577 H ALA 74 HN ALA 74 23.401 9.778 -7.814 578 HA ALA 74 HA ALA 74 22.524 9.672 -5.007 579 1HB ALA 74 HB2 ALA 74 23.911 11.575 -6.743 580 2HB ALA 74 HB1 ALA 74 22.695 12.347 -5.724 581 3HB ALA 74 HB3 ALA 74 23.985 11.395 -4.990 582 H GLN 75 HN GLN 75 21.123 10.336 -8.129 583 HA GLN 75 HA GLN 75 18.959 12.014 -7.331 584 1HB GLN 75 HB2 GLN 75 18.955 9.884 -9.493 585 2HB GLN 75 HB1 GLN 75 17.861 11.262 -9.381 586 1HG GLN 75 HG2 GLN 75 19.344 12.497 -10.534 587 2HG GLN 75 HG1 GLN 75 20.496 12.297 -9.213 588 1HE2 GLN 75 HE22 GLN 75 20.715 9.469 -12.203 589 2HE2 GLN 75 HE21 GLN 75 19.190 9.989 -11.669 590 H GLN 76 HN GLN 76 19.466 8.545 -7.082 591 HA GLN 76 HA GLN 76 16.741 7.834 -6.503 592 1HB GLN 76 HB2 GLN 76 19.238 6.501 -6.734 593 2HB GLN 76 HB1 GLN 76 18.585 6.099 -5.144 594 1HG GLN 76 HG2 GLN 76 16.764 5.000 -6.014 595 2HG GLN 76 HG1 GLN 76 16.678 6.045 -7.432 596 1HE2 GLN 76 HE22 GLN 76 17.957 2.651 -8.454 597 2HE2 GLN 76 HE21 GLN 76 16.561 3.178 -7.644 598 H PHE 77 HN PHE 77 19.390 9.053 -4.541 599 HA PHE 77 HA PHE 77 18.264 8.426 -1.975 600 1HB PHE 77 HB2 PHE 77 20.654 9.365 -2.714 601 2HB PHE 77 HB1 PHE 77 19.888 10.908 -2.334 602 HD1 PHE 77 HD2 PHE 77 18.338 10.714 -0.074 603 HD2 PHE 77 HD1 PHE 77 21.845 8.400 -0.969 604 HE1 PHE 77 HE2 PHE 77 18.674 10.286 2.346 605 HE2 PHE 77 HE1 PHE 77 22.181 7.973 1.450 606 HZ PHE 77 HZ PHE 77 20.595 8.916 3.108 607 H HIS 78 HN HIS 78 18.155 11.425 -3.933 608 HA HIS 78 HA HIS 78 16.494 12.884 -2.132 609 1HB HIS 78 HB2 HIS 78 17.624 13.289 -4.709 610 2HB HIS 78 HB1 HIS 78 15.895 13.613 -4.843 611 HD1 HIS 78 HD1 HIS 78 14.903 15.395 -3.103 612 HD2 HIS 78 HD2 HIS 78 19.063 15.244 -3.326 613 HE1 HIS 78 HE1 HIS 78 15.758 17.504 -1.991 614 NH1 ARG 79 NH2 ARG 79 11.880 11.614 -9.196 615 NH2 ARG 79 NH1 ARG 79 13.523 12.288 -10.587 616 H ARG 79 HN ARG 79 15.731 10.562 -4.676 617 HA ARG 79 HA ARG 79 12.872 11.079 -4.605 618 1HB ARG 79 HB2 ARG 79 14.676 9.080 -5.885 619 2HB ARG 79 HB1 ARG 79 12.985 8.622 -5.674 620 1HG ARG 79 HG2 ARG 79 12.258 10.635 -6.847 621 2HG ARG 79 HG1 ARG 79 13.928 11.181 -7.003 622 1HD ARG 79 HD2 ARG 79 14.238 8.790 -8.112 623 2HD ARG 79 HD1 ARG 79 12.516 8.955 -8.434 624 HE ARG 79 HE ARG 79 14.646 10.242 -9.857 625 1HH1 ARG 79 HH21 ARG 79 11.495 10.946 -8.566 626 2HH1 ARG 79 HH22 ARG 79 11.347 12.421 -9.448 627 1HH2 ARG 79 HH11 ARG 79 14.412 12.136 -11.019 628 2HH2 ARG 79 HH12 ARG 79 12.975 13.087 -10.837 629 H HIS 80 HN HIS 80 15.072 9.130 -2.728 630 HA HIS 80 HA HIS 80 13.029 7.349 -1.663 631 1HB HIS 80 HB2 HIS 80 15.777 7.304 -1.724 632 2HB HIS 80 HB1 HIS 80 15.462 7.765 -0.052 633 HD1 HIS 80 HD1 HIS 80 13.500 6.160 1.129 634 HD2 HIS 80 HD2 HIS 80 15.612 4.577 -2.099 635 HE1 HIS 80 HE1 HIS 80 13.201 3.646 1.240 636 H LYS 81 HN LYS 81 14.433 10.449 -0.755 637 HA LYS 81 HA LYS 81 13.490 10.517 1.947 638 1HB LYS 81 HB2 LYS 81 14.769 12.319 0.107 639 2HB LYS 81 HB1 LYS 81 13.432 13.154 0.896 640 1HG LYS 81 HG2 LYS 81 14.577 11.781 2.996 641 2HG LYS 81 HG1 LYS 81 15.982 12.219 2.025 642 1HD LYS 81 HD2 LYS 81 13.957 14.355 2.397 643 2HD LYS 81 HD1 LYS 81 14.858 13.889 3.840 644 1HE LYS 81 HE2 LYS 81 16.324 14.378 1.263 645 2HE LYS 81 HE1 LYS 81 15.838 15.743 2.267 646 1HZ LYS 81 HZ1 LYS 81 17.394 13.414 3.251 647 2HZ LYS 81 HZ3 LYS 81 18.084 14.889 2.773 648 3HZ LYS 81 HZ2 LYS 81 17.034 14.836 4.108 649 H GLN 82 HN GLN 82 11.953 11.306 -1.127 650 HA GLN 82 HA GLN 82 9.558 12.357 0.230 651 1HB GLN 82 HB2 GLN 82 9.996 11.790 -2.715 652 2HB GLN 82 HB1 GLN 82 8.714 12.776 -2.010 653 1HG GLN 82 HG2 GLN 82 11.132 13.803 -0.976 654 2HG GLN 82 HG1 GLN 82 11.414 13.541 -2.698 655 1HE2 GLN 82 HE22 GLN 82 8.436 16.168 -1.599 656 2HE2 GLN 82 HE21 GLN 82 8.848 14.903 -0.544 657 H LEU 83 HN LEU 83 10.695 9.313 -1.005 658 HA LEU 83 HA LEU 83 8.107 8.139 -1.519 659 1HB LEU 83 HB2 LEU 83 10.263 7.246 -2.420 660 2HB LEU 83 HB1 LEU 83 10.703 6.750 -0.787 661 HG LEU 83 HG LEU 83 8.401 5.517 -0.805 662 1HD1 LEU 83 HD13 LEU 83 8.621 6.533 -3.533 663 2HD1 LEU 83 HD12 LEU 83 8.423 4.781 -3.494 664 3HD1 LEU 83 HD11 LEU 83 7.231 5.822 -2.715 665 1HD2 LEU 83 HD23 LEU 83 10.771 4.539 -0.899 666 2HD2 LEU 83 HD22 LEU 83 9.486 3.528 -1.560 667 3HD2 LEU 83 HD21 LEU 83 10.543 4.430 -2.644 668 H ILE 84 HN ILE 84 10.380 7.731 1.238 669 HA ILE 84 HA ILE 84 8.699 6.126 2.840 670 HB ILE 84 HB ILE 84 10.569 8.295 3.837 671 1HG1 ILE 84 HG12 ILE 84 12.020 7.022 2.538 672 2HG1 ILE 84 HG11 ILE 84 12.080 6.126 4.051 673 1HG2 ILE 84 HG21 ILE 84 9.341 5.831 5.075 674 2HG2 ILE 84 HG23 ILE 84 10.794 6.576 5.739 675 3HG2 ILE 84 HG22 ILE 84 9.289 7.492 5.664 676 1HD1 ILE 84 HD13 ILE 84 10.206 4.674 3.138 677 2HD1 ILE 84 HD12 ILE 84 10.462 5.459 1.581 678 3HD1 ILE 84 HD11 ILE 84 11.753 4.510 2.310 679 NH1 ARG 85 NH2 ARG 85 8.713 16.543 3.546 680 NH2 ARG 85 NH1 ARG 85 6.581 17.042 2.987 681 H ARG 85 HN ARG 85 8.669 9.624 2.366 682 HA ARG 85 HA ARG 85 6.861 10.216 4.519 683 1HB ARG 85 HB2 ARG 85 8.165 11.649 2.422 684 2HB ARG 85 HB1 ARG 85 6.446 12.036 2.358 685 1HG ARG 85 HG2 ARG 85 6.422 12.819 4.594 686 2HG ARG 85 HG1 ARG 85 7.969 12.058 4.963 687 1HD ARG 85 HD2 ARG 85 8.724 14.202 4.626 688 2HD ARG 85 HD1 ARG 85 8.771 13.646 2.953 689 HE ARG 85 HE ARG 85 6.202 14.635 3.248 690 1HH1 ARG 85 HH21 ARG 85 9.415 15.881 3.802 691 2HH1 ARG 85 HH22 ARG 85 8.952 17.510 3.461 692 1HH2 ARG 85 HH11 ARG 85 5.638 16.757 2.814 693 2HH2 ARG 85 HH12 ARG 85 6.836 18.005 2.907 694 H PHE 86 HN PHE 86 6.268 9.843 1.019 695 HA PHE 86 HA PHE 86 3.467 10.087 1.050 696 1HB PHE 86 HB2 PHE 86 5.475 9.199 -0.785 697 2HB PHE 86 HB1 PHE 86 4.153 8.030 -0.805 698 HD1 PHE 86 HD2 PHE 86 1.738 9.410 -0.460 699 HD2 PHE 86 HD1 PHE 86 5.276 10.797 -2.461 700 HE1 PHE 86 HE2 PHE 86 0.364 10.977 -1.802 701 HE2 PHE 86 HE1 PHE 86 3.903 12.364 -3.803 702 HZ PHE 86 HZ PHE 86 1.445 12.457 -3.474 703 H LEU 87 HN LEU 87 5.477 7.350 1.974 704 HA LEU 87 HA LEU 87 3.314 5.422 2.034 705 1HB LEU 87 HB2 LEU 87 6.008 5.193 2.096 706 2HB LEU 87 HB1 LEU 87 5.655 5.031 3.818 707 HG LEU 87 HG LEU 87 3.958 3.491 1.903 708 1HD1 LEU 87 HD13 LEU 87 6.880 3.154 2.268 709 2HD1 LEU 87 HD12 LEU 87 5.920 1.684 2.428 710 3HD1 LEU 87 HD11 LEU 87 5.842 2.628 0.941 711 1HD2 LEU 87 HD22 LEU 87 5.049 3.171 4.701 712 2HD2 LEU 87 HD21 LEU 87 3.365 3.251 4.184 713 3HD2 LEU 87 HD23 LEU 87 4.325 1.813 3.840 714 H LYS 88 HN LYS 88 4.932 7.385 4.533 715 HA LYS 88 HA LYS 88 3.558 6.391 6.784 716 1HB LYS 88 HB2 LYS 88 4.496 9.220 6.221 717 2HB LYS 88 HB1 LYS 88 4.041 8.606 7.812 718 1HG LYS 88 HG2 LYS 88 5.885 7.161 7.926 719 2HG LYS 88 HG1 LYS 88 6.117 7.167 6.177 720 1HD LYS 88 HD2 LYS 88 7.862 8.541 6.993 721 2HD LYS 88 HD1 LYS 88 6.634 9.684 6.445 722 1HE LYS 88 HE2 LYS 88 5.779 9.374 8.964 723 2HE LYS 88 HE1 LYS 88 7.483 8.997 9.222 724 1HZ LYS 88 HZ3 LYS 88 8.025 11.092 8.061 725 2HZ LYS 88 HZ2 LYS 88 6.368 11.462 8.001 726 3HZ LYS 88 HZ1 LYS 88 7.159 11.334 9.499 727 NH1 ARG 89 NH2 ARG 89 -1.913 14.122 4.888 728 NH2 ARG 89 NH1 ARG 89 -2.073 14.346 2.646 729 H ARG 89 HN ARG 89 2.583 8.891 4.453 730 HA ARG 89 HA ARG 89 0.185 9.672 5.824 731 1HB ARG 89 HB2 ARG 89 0.953 9.777 2.894 732 2HB ARG 89 HB1 ARG 89 -0.513 10.509 3.547 733 1HG ARG 89 HG2 ARG 89 1.982 11.184 4.990 734 2HG ARG 89 HG1 ARG 89 1.866 11.820 3.348 735 1HD ARG 89 HD2 ARG 89 -0.362 12.113 5.375 736 2HD ARG 89 HD1 ARG 89 0.908 13.320 5.172 737 HE ARG 89 HE ARG 89 -0.069 12.932 2.605 738 1HH1 ARG 89 HH21 ARG 89 -1.456 13.760 5.698 739 2HH1 ARG 89 HH22 ARG 89 -2.728 14.693 4.993 740 1HH2 ARG 89 HH11 ARG 89 -1.732 14.151 1.726 741 2HH2 ARG 89 HH12 ARG 89 -2.886 14.915 2.768 742 H LEU 90 HN LEU 90 0.743 7.364 3.163 743 HA LEU 90 HA LEU 90 -2.010 6.503 3.055 744 1HB LEU 90 HB2 LEU 90 -0.322 6.259 1.200 745 2HB LEU 90 HB1 LEU 90 0.428 4.965 2.134 746 HG LEU 90 HG LEU 90 -2.423 4.541 2.009 747 1HD1 LEU 90 HD11 LEU 90 -1.843 5.935 -0.164 748 2HD1 LEU 90 HD13 LEU 90 -1.185 4.396 -0.718 749 3HD1 LEU 90 HD12 LEU 90 -2.886 4.517 -0.269 750 1HD2 LEU 90 HD21 LEU 90 -0.078 3.057 2.055 751 2HD2 LEU 90 HD23 LEU 90 -1.699 2.399 1.835 752 3HD2 LEU 90 HD22 LEU 90 -0.698 2.769 0.430 753 H ASP 91 HN ASP 91 0.419 5.858 5.364 754 HA ASP 91 HA ASP 91 -0.244 3.110 5.948 755 1HB ASP 91 HB2 ASP 91 1.723 4.835 6.774 756 2HB ASP 91 HB1 ASP 91 0.687 4.775 8.199 757 NH1 ARG 92 NH2 ARG 92 -6.206 7.601 12.118 758 NH2 ARG 92 NH1 ARG 92 -7.616 5.859 11.871 759 H ARG 92 HN ARG 92 -1.306 6.223 7.320 760 HA ARG 92 HA ARG 92 -3.253 4.827 9.047 761 1HB ARG 92 HB2 ARG 92 -1.948 6.780 9.882 762 2HB ARG 92 HB1 ARG 92 -2.746 7.793 8.681 763 1HG ARG 92 HG2 ARG 92 -3.969 8.088 10.711 764 2HG ARG 92 HG1 ARG 92 -4.959 7.039 9.699 765 1HD ARG 92 HD2 ARG 92 -3.408 5.209 11.002 766 2HD ARG 92 HD1 ARG 92 -3.573 6.446 12.243 767 HE ARG 92 HE ARG 92 -5.575 4.567 11.491 768 1HH1 ARG 92 HH21 ARG 92 -5.283 7.976 12.159 769 2HH1 ARG 92 HH22 ARG 92 -6.989 8.197 12.297 770 1HH2 ARG 92 HH11 ARG 92 -7.775 4.885 11.713 771 2HH2 ARG 92 HH12 ARG 92 -8.388 6.467 12.057 772 H ASN 93 HN ASN 93 -3.200 6.516 5.985 773 HA ASN 93 HA ASN 93 -6.060 7.101 6.002 774 1HB ASN 93 HB2 ASN 93 -3.775 7.542 4.200 775 2HB ASN 93 HB1 ASN 93 -5.309 7.264 3.374 776 1HD2 ASN 93 HD22 ASN 93 -4.817 10.921 4.497 777 2HD2 ASN 93 HD21 ASN 93 -3.701 9.843 3.807 778 H LEU 94 HN LEU 94 -4.040 4.508 4.670 779 HA LEU 94 HA LEU 94 -6.075 3.384 2.994 780 1HB LEU 94 HB2 LEU 94 -3.435 2.878 3.334 781 2HB LEU 94 HB1 LEU 94 -4.127 1.511 4.207 782 HG LEU 94 HG LEU 94 -5.628 1.163 2.158 783 1HD1 LEU 94 HD11 LEU 94 -3.712 3.262 1.168 784 2HD1 LEU 94 HD13 LEU 94 -4.381 2.073 0.051 785 3HD1 LEU 94 HD12 LEU 94 -5.456 3.156 0.933 786 1HD2 LEU 94 HD23 LEU 94 -3.083 0.243 2.787 787 2HD2 LEU 94 HD22 LEU 94 -4.144 -0.439 1.555 788 3HD2 LEU 94 HD21 LEU 94 -2.925 0.755 1.108 789 CH2 TRP 95 CH2 TRP 95 -6.502 -0.648 13.029 790 H TRP 95 HN TRP 95 -4.933 2.175 6.186 791 HA TRP 95 HA TRP 95 -7.401 0.571 6.382 792 1HB TRP 95 HB2 TRP 95 -6.220 -0.764 7.738 793 2HB TRP 95 HB1 TRP 95 -4.814 0.148 7.197 794 HD1 TRP 95 HD1 TRP 95 -4.450 2.514 8.748 795 HE1 TRP 95 HE1 TRP 95 -4.486 2.674 11.325 796 HE3 TRP 95 HE3 TRP 95 -7.005 -1.755 9.843 797 HZ2 TRP 95 HZ2 TRP 95 -5.471 1.165 13.559 798 HZ3 TRP 95 HZ3 TRP 95 -7.469 -2.380 12.192 799 HH2 TRP 95 HH2 TRP 95 -6.709 -0.926 14.052 800 H GLY 96 HN GLY 96 -6.271 3.610 7.523 801 1HA GLY 96 HA2 GLY 96 -7.547 3.887 10.007 802 2HA GLY 96 HA1 GLY 96 -7.361 5.215 8.864 803 H LEU 97 HN LEU 97 -8.959 4.119 6.753 804 HA LEU 97 HA LEU 97 -11.598 4.849 7.748 805 1HB LEU 97 HB2 LEU 97 -11.061 5.496 5.496 806 2HB LEU 97 HB1 LEU 97 -10.608 3.846 5.068 807 HG LEU 97 HG LEU 97 -13.347 4.152 6.144 808 1HD1 LEU 97 HD13 LEU 97 -12.778 6.182 4.563 809 2HD1 LEU 97 HD12 LEU 97 -12.919 4.973 3.288 810 3HD1 LEU 97 HD11 LEU 97 -14.290 5.300 4.348 811 1HD2 LEU 97 HD21 LEU 97 -11.838 2.557 4.131 812 2HD2 LEU 97 HD23 LEU 97 -13.040 2.031 5.310 813 3HD2 LEU 97 HD22 LEU 97 -13.555 2.807 3.813 814 H ALA 98 HN ALA 98 -9.908 1.866 6.987 815 HA ALA 98 HA ALA 98 -12.021 0.039 6.781 816 1HB ALA 98 HB3 ALA 98 -9.511 -0.415 6.610 817 2HB ALA 98 HB2 ALA 98 -9.510 -0.509 8.371 818 3HB ALA 98 HB1 ALA 98 -10.463 -1.653 7.428 819 H GLY 99 HN GLY 99 -10.497 1.293 9.745 820 1HA GLY 99 HA2 GLY 99 -11.380 1.458 11.919 821 2HA GLY 99 HA1 GLY 99 -12.962 1.083 11.236 822 H LEU 100 HN LEU 100 -9.887 -0.744 11.457 823 HA LEU 100 HA LEU 100 -11.470 -2.979 12.668 824 1HB LEU 100 HB2 LEU 100 -9.627 -2.912 10.414 825 2HB LEU 100 HB1 LEU 100 -9.104 -4.068 11.639 826 HG LEU 100 HG LEU 100 -10.677 -5.038 9.929 827 1HD1 LEU 100 HD13 LEU 100 -10.430 -5.915 12.285 828 2HD1 LEU 100 HD12 LEU 100 -11.842 -4.953 12.725 829 3HD1 LEU 100 HD11 LEU 100 -11.994 -6.256 11.546 830 1HD2 LEU 100 HD22 LEU 100 -12.045 -2.668 10.301 831 2HD2 LEU 100 HD21 LEU 100 -12.697 -4.099 9.501 832 3HD2 LEU 100 HD23 LEU 100 -13.022 -3.819 11.212 833 H ASN 101 HN ASN 101 -9.586 -4.570 13.696 834 HA ASN 101 HA ASN 101 -7.966 -2.783 15.470 835 1HB ASN 101 HB2 ASN 101 -9.853 -4.954 16.084 836 2HB ASN 101 HB1 ASN 101 -8.298 -5.120 16.899 837 1HD2 ASN 101 HD22 ASN 101 -10.589 -1.799 17.727 838 2HD2 ASN 101 HD21 ASN 101 -10.773 -2.574 16.228 839 H SER 102 HN SER 102 -8.023 -6.326 15.101 840 HA SER 102 HA SER 102 -5.089 -6.279 14.775 841 1HB SER 102 HB2 SER 102 -6.161 -7.921 16.310 842 2HB SER 102 HB1 SER 102 -7.000 -8.631 14.934 843 HG SER 102 HG SER 102 -4.402 -8.897 15.757 844 H CYS 103 HN CYS 103 -4.143 -7.726 13.033 845 HA CYS 103 HA CYS 103 -5.842 -8.042 10.632 846 1HB CYS 103 HB2 CYS 103 -4.303 -5.739 10.960 847 2HB CYS 103 HB1 CYS 103 -3.313 -6.768 9.926 848 HA PRO 104 HA PRO 104 -2.934 -11.535 11.431 849 1HB PRO 104 HB2 PRO 104 -4.771 -13.083 9.810 850 2HB PRO 104 HB1 PRO 104 -4.408 -13.258 11.532 851 1HG PRO 104 HG2 PRO 104 -6.800 -12.188 10.361 852 2HG PRO 104 HG1 PRO 104 -6.398 -12.296 12.080 853 1HD PRO 104 HD2 PRO 104 -6.510 -9.928 10.439 854 2HD PRO 104 HD1 PRO 104 -6.102 -10.041 12.164 855 H VAL 105 HN VAL 105 -1.351 -10.609 10.009 856 HA VAL 105 HA VAL 105 -1.797 -11.074 7.093 857 HB VAL 105 HB VAL 105 0.216 -9.572 6.831 858 1HG1 VAL 105 HG13 VAL 105 -2.390 -8.919 7.122 859 2HG1 VAL 105 HG12 VAL 105 -1.709 -8.007 8.470 860 3HG1 VAL 105 HG11 VAL 105 -1.132 -7.719 6.830 861 1HG2 VAL 105 HG23 VAL 105 0.862 -10.125 9.328 862 2HG2 VAL 105 HG22 VAL 105 1.204 -8.524 8.671 863 3HG2 VAL 105 HG21 VAL 105 -0.208 -8.772 9.698 864 H LYS 106 HN LYS 106 -1.306 -13.380 8.480 865 HA LYS 106 HA LYS 106 1.500 -13.996 7.665 866 1HB LYS 106 HB2 LYS 106 0.494 -13.984 10.324 867 2HB LYS 106 HB1 LYS 106 0.711 -15.673 9.862 868 1HG LYS 106 HG2 LYS 106 3.022 -15.012 9.010 869 2HG LYS 106 HG1 LYS 106 2.779 -13.465 9.824 870 1HD LYS 106 HD2 LYS 106 3.868 -14.705 11.479 871 2HD LYS 106 HD1 LYS 106 2.173 -14.957 11.896 872 1HE LYS 106 HE2 LYS 106 3.148 -17.127 11.941 873 2HE LYS 106 HE1 LYS 106 2.279 -17.046 10.410 874 1HZ LYS 106 HZ1 LYS 106 4.991 -16.079 10.287 875 2HZ LYS 106 HZ3 LYS 106 4.868 -17.725 10.674 876 3HZ LYS 106 HZ2 LYS 106 4.165 -17.136 9.244 877 H GLU 107 HN GLU 107 -1.312 -14.481 6.516 878 HA GLU 107 HA GLU 107 -1.091 -17.459 6.366 879 1HB GLU 107 HB2 GLU 107 -3.547 -17.342 5.691 880 2HB GLU 107 HB1 GLU 107 -3.202 -16.922 7.370 881 1HG GLU 107 HG2 GLU 107 -3.637 -14.675 7.046 882 2HG GLU 107 HG1 GLU 107 -3.165 -14.722 5.347 883 H ALA 108 HN ALA 108 0.484 -17.135 4.715 884 HA ALA 108 HA ALA 108 -0.606 -17.342 2.086 885 1HB ALA 108 HB2 ALA 108 0.793 -14.729 2.730 886 2HB ALA 108 HB1 ALA 108 0.300 -15.249 1.122 887 3HB ALA 108 HB3 ALA 108 -0.916 -14.904 2.349 888 H ASP 109 HN ASP 109 1.616 -16.594 0.619 889 HA ASP 109 HA ASP 109 3.852 -18.093 1.916 890 1HB ASP 109 HB2 ASP 109 2.340 -18.819 -0.413 891 2HB ASP 109 HB1 ASP 109 3.987 -18.434 -0.910 892 H GLN 110 HN GLN 110 5.998 -17.565 0.891 893 HA GLN 110 HA GLN 110 6.489 -14.789 0.806 894 1HB GLN 110 HB2 GLN 110 8.013 -17.167 0.491 895 2HB GLN 110 HB1 GLN 110 8.377 -16.142 -0.897 896 1HG GLN 110 HG2 GLN 110 9.892 -15.281 0.619 897 2HG GLN 110 HG1 GLN 110 8.504 -14.258 0.985 898 1HE2 GLN 110 HE22 GLN 110 7.951 -15.694 4.188 899 2HE2 GLN 110 HE21 GLN 110 7.314 -14.690 2.976 900 H SER 111 HN SER 111 5.462 -13.447 -0.616 901 HA SER 111 HA SER 111 5.466 -14.269 -3.502 902 1HB SER 111 HB2 SER 111 3.227 -14.011 -3.452 903 2HB SER 111 HB1 SER 111 3.290 -13.431 -1.791 904 HG SER 111 HG SER 111 3.050 -12.049 -4.134 905 H THR 112 HN THR 112 6.717 -12.983 -4.730 906 HA THR 112 HA THR 112 8.313 -10.873 -3.991 907 HB THR 112 HB THR 112 8.345 -10.176 -6.350 908 HG1 THR 112 HG1 THR 112 5.882 -11.418 -6.268 909 1HG2 THR 112 HG23 THR 112 9.177 -12.537 -5.396 910 2HG2 THR 112 HG22 THR 112 7.985 -13.127 -6.553 911 3HG2 THR 112 HG21 THR 112 9.321 -12.117 -7.104 912 H LEU 113 HN LEU 113 7.915 -8.909 -3.114 913 HA LEU 113 HA LEU 113 5.389 -7.761 -2.695 914 1HB LEU 113 HB2 LEU 113 7.510 -7.012 -1.591 915 2HB LEU 113 HB1 LEU 113 7.963 -6.210 -3.092 916 HG LEU 113 HG LEU 113 5.750 -4.958 -2.956 917 1HD1 LEU 113 HD12 LEU 113 5.826 -6.134 -0.161 918 2HD1 LEU 113 HD11 LEU 113 4.742 -4.843 -0.679 919 3HD1 LEU 113 HD13 LEU 113 4.604 -6.450 -1.393 920 1HD2 LEU 113 HD21 LEU 113 8.170 -4.287 -2.015 921 2HD2 LEU 113 HD23 LEU 113 6.767 -3.244 -1.791 922 3HD2 LEU 113 HD22 LEU 113 7.296 -4.304 -0.486 923 H GLU 114 HN GLU 114 7.398 -7.676 -5.564 924 HA GLU 114 HA GLU 114 6.316 -5.424 -6.884 925 1HB GLU 114 HB2 GLU 114 8.239 -6.946 -7.634 926 2HB GLU 114 HB1 GLU 114 6.994 -8.018 -8.276 927 1HG GLU 114 HG2 GLU 114 6.367 -6.533 -9.929 928 2HG GLU 114 HG1 GLU 114 6.842 -5.119 -8.987 929 H ASN 115 HN ASN 115 5.343 -8.805 -7.491 930 HA ASN 115 HA ASN 115 3.020 -8.242 -8.955 931 1HB ASN 115 HB2 ASN 115 3.130 -10.488 -9.032 932 2HB ASN 115 HB1 ASN 115 4.144 -10.538 -7.589 933 1HD2 ASN 115 HD22 ASN 115 0.090 -11.028 -7.215 934 2HD2 ASN 115 HD21 ASN 115 0.733 -10.416 -8.662 935 H PHE 116 HN PHE 116 3.402 -8.441 -5.419 936 HA PHE 116 HA PHE 116 0.687 -8.332 -4.675 937 1HB PHE 116 HB2 PHE 116 2.193 -8.608 -2.890 938 2HB PHE 116 HB1 PHE 116 3.193 -7.248 -3.402 939 HD1 PHE 116 HD1 PHE 116 -0.398 -7.887 -2.508 940 HD2 PHE 116 HD2 PHE 116 3.015 -5.308 -2.139 941 HE1 PHE 116 HE1 PHE 116 -1.709 -6.363 -1.052 942 HE2 PHE 116 HE2 PHE 116 1.708 -3.785 -0.682 943 HZ PHE 116 HZ PHE 116 -0.654 -4.312 -0.140 944 H LEU 117 HN LEU 117 2.833 -5.472 -4.782 945 HA LEU 117 HA LEU 117 0.864 -3.491 -4.620 946 1HB LEU 117 HB2 LEU 117 3.645 -3.620 -5.248 947 2HB LEU 117 HB1 LEU 117 2.868 -2.623 -6.477 948 HG LEU 117 HG LEU 117 3.554 -1.219 -4.601 949 1HD1 LEU 117 HD12 LEU 117 0.902 -1.470 -5.605 950 2HD1 LEU 117 HD11 LEU 117 0.780 -1.074 -3.890 951 3HD1 LEU 117 HD13 LEU 117 1.689 -0.023 -4.974 952 1HD2 LEU 117 HD22 LEU 117 1.857 -3.123 -2.956 953 2HD2 LEU 117 HD21 LEU 117 3.596 -2.866 -2.814 954 3HD2 LEU 117 HD23 LEU 117 2.473 -1.582 -2.362 955 H GLU 118 HN GLU 118 1.784 -5.473 -7.365 956 HA GLU 118 HA GLU 118 0.622 -3.925 -9.450 957 1HB GLU 118 HB2 GLU 118 2.015 -6.190 -9.471 958 2HB GLU 118 HB1 GLU 118 0.408 -6.913 -9.495 959 1HG GLU 118 HG2 GLU 118 1.174 -6.595 -11.788 960 2HG GLU 118 HG1 GLU 118 -0.162 -5.489 -11.464 961 NH1 ARG 119 NH2 ARG 119 -4.562 -10.075 -11.353 962 NH2 ARG 119 NH1 ARG 119 -3.283 -11.934 -11.269 963 H ARG 119 HN ARG 119 -0.797 -6.672 -7.667 964 HA ARG 119 HA ARG 119 -3.449 -6.282 -8.710 965 1HB ARG 119 HB2 ARG 119 -2.636 -7.608 -6.104 966 2HB ARG 119 HB1 ARG 119 -4.152 -7.846 -6.975 967 1HG ARG 119 HG2 ARG 119 -1.415 -8.482 -8.118 968 2HG ARG 119 HG1 ARG 119 -2.478 -9.672 -7.370 969 1HD ARG 119 HD2 ARG 119 -4.256 -8.830 -9.072 970 2HD ARG 119 HD1 ARG 119 -2.881 -8.138 -9.931 971 HE ARG 119 HE ARG 119 -2.142 -10.776 -9.434 972 1HH1 ARG 119 HH21 ARG 119 -4.802 -9.165 -11.020 973 2HH1 ARG 119 HH22 ARG 119 -5.076 -10.476 -12.112 974 1HH2 ARG 119 HH11 ARG 119 -2.531 -12.456 -10.862 975 2HH2 ARG 119 HH12 ARG 119 -3.807 -12.322 -12.026 976 H LEU 120 HN LEU 120 -1.646 -4.546 -6.328 977 HA LEU 120 HA LEU 120 -3.901 -3.706 -4.708 978 1HB LEU 120 HB2 LEU 120 -1.138 -3.500 -4.515 979 2HB LEU 120 HB1 LEU 120 -1.648 -1.838 -4.816 980 HG LEU 120 HG LEU 120 -2.575 -3.676 -2.597 981 1HD1 LEU 120 HD12 LEU 120 -0.404 -2.109 -2.637 982 2HD1 LEU 120 HD11 LEU 120 -1.599 -0.885 -2.203 983 3HD1 LEU 120 HD13 LEU 120 -1.380 -2.307 -1.181 984 1HD2 LEU 120 HD21 LEU 120 -3.850 -1.302 -3.841 985 2HD2 LEU 120 HD23 LEU 120 -4.580 -2.618 -2.921 986 3HD2 LEU 120 HD22 LEU 120 -3.776 -1.294 -2.079 987 H LYS 121 HN LYS 121 -2.094 -2.224 -7.414 988 HA LYS 121 HA LYS 121 -3.723 0.170 -7.477 989 1HB LYS 121 HB2 LYS 121 -1.347 -0.446 -8.572 990 2HB LYS 121 HB1 LYS 121 -2.381 -0.800 -9.957 991 1HG LYS 121 HG2 LYS 121 -3.453 1.558 -9.248 992 2HG LYS 121 HG1 LYS 121 -1.818 1.809 -8.630 993 1HD LYS 121 HD2 LYS 121 -1.570 2.543 -10.823 994 2HD LYS 121 HD1 LYS 121 -1.114 0.846 -10.987 995 1HE LYS 121 HE2 LYS 121 -3.649 0.451 -11.440 996 2HE LYS 121 HE1 LYS 121 -3.695 2.184 -11.765 997 1HZ LYS 121 HZ1 LYS 121 -1.493 1.314 -13.109 998 2HZ LYS 121 HZ3 LYS 121 -2.616 0.066 -13.353 999 3HZ LYS 121 HZ2 LYS 121 -3.009 1.659 -13.795 1000 H THR 122 HN THR 122 -3.625 -2.746 -9.485 1001 HA THR 122 HA THR 122 -5.745 -2.195 -11.242 1002 HB THR 122 HB THR 122 -6.052 -4.912 -10.640 1003 HG1 THR 122 HG1 THR 122 -4.241 -4.574 -9.207 1004 1HG2 THR 122 HG21 THR 122 -4.440 -3.324 -12.616 1005 2HG2 THR 122 HG23 THR 122 -4.310 -5.083 -12.593 1006 3HG2 THR 122 HG22 THR 122 -5.871 -4.319 -12.891 1007 H ILE 123 HN ILE 123 -5.961 -3.862 -8.109 1008 HA ILE 123 HA ILE 123 -8.821 -4.073 -8.086 1009 HB ILE 123 HB ILE 123 -6.851 -4.025 -5.789 1010 1HG1 ILE 123 HG12 ILE 123 -6.565 -5.783 -7.626 1011 2HG1 ILE 123 HG11 ILE 123 -6.791 -6.409 -5.993 1012 1HG2 ILE 123 HG21 ILE 123 -9.751 -4.884 -5.976 1013 2HG2 ILE 123 HG23 ILE 123 -8.690 -5.340 -4.643 1014 3HG2 ILE 123 HG22 ILE 123 -9.067 -3.640 -4.927 1015 1HD1 ILE 123 HD13 ILE 123 -9.297 -5.945 -7.480 1016 2HD1 ILE 123 HD12 ILE 123 -8.265 -7.203 -8.160 1017 3HD1 ILE 123 HD11 ILE 123 -8.816 -7.321 -6.488 1018 H MET 124 HN MET 124 -6.638 -1.513 -7.085 1019 HA MET 124 HA MET 124 -8.612 -0.101 -5.502 1020 1HB MET 124 HB2 MET 124 -5.935 0.649 -6.662 1021 2HB MET 124 HB1 MET 124 -6.937 1.828 -5.818 1022 1HG MET 124 HG2 MET 124 -6.631 -0.758 -4.425 1023 2HG MET 124 HG1 MET 124 -5.150 0.185 -4.570 1024 1HE MET 124 HE3 MET 124 -5.508 2.731 -4.695 1025 2HE MET 124 HE2 MET 124 -6.209 3.638 -3.360 1026 3HE MET 124 HE1 MET 124 -4.793 2.632 -3.081 1027 NH1 ARG 125 NH2 ARG 125 -7.301 6.459 -11.765 1028 NH2 ARG 125 NH1 ARG 125 -5.703 5.804 -13.221 1029 H ARG 125 HN ARG 125 -7.804 -0.103 -8.923 1030 HA ARG 125 HA ARG 125 -9.318 2.379 -9.374 1031 1HB ARG 125 HB2 ARG 125 -7.240 1.744 -10.679 1032 2HB ARG 125 HB1 ARG 125 -8.208 0.495 -11.463 1033 1HG ARG 125 HG2 ARG 125 -8.470 2.272 -12.950 1034 2HG ARG 125 HG1 ARG 125 -9.879 2.480 -11.910 1035 1HD ARG 125 HD2 ARG 125 -9.101 4.606 -11.673 1036 2HD ARG 125 HD1 ARG 125 -7.992 3.877 -10.513 1037 HE ARG 125 HE ARG 125 -6.703 3.583 -12.950 1038 1HH1 ARG 125 HH21 ARG 125 -8.084 6.256 -11.181 1039 2HH1 ARG 125 HH22 ARG 125 -6.955 7.396 -11.822 1040 1HH2 ARG 125 HH11 ARG 125 -5.258 5.088 -13.759 1041 2HH2 ARG 125 HH12 ARG 125 -5.366 6.744 -13.265 1042 H GLU 126 HN GLU 126 -9.860 -1.087 -9.624 1043 HA GLU 126 HA GLU 126 -12.332 -0.640 -11.174 1044 1HB GLU 126 HB2 GLU 126 -10.577 -2.880 -10.640 1045 2HB GLU 126 HB1 GLU 126 -12.256 -3.314 -10.309 1046 1HG GLU 126 HG2 GLU 126 -12.944 -2.628 -12.520 1047 2HG GLU 126 HG1 GLU 126 -11.353 -1.943 -12.854 1048 H LYS 127 HN LYS 127 -11.386 -1.340 -7.857 1049 HA LYS 127 HA LYS 127 -14.193 -1.820 -7.098 1050 1HB LYS 127 HB2 LYS 127 -11.679 -2.601 -6.045 1051 2HB LYS 127 HB1 LYS 127 -12.475 -1.619 -4.815 1052 1HG LYS 127 HG2 LYS 127 -13.211 -3.882 -4.472 1053 2HG LYS 127 HG1 LYS 127 -14.560 -3.017 -5.210 1054 1HD LYS 127 HD2 LYS 127 -13.932 -3.893 -7.423 1055 2HD LYS 127 HD1 LYS 127 -12.560 -4.739 -6.705 1056 1HE LYS 127 HE2 LYS 127 -15.048 -5.331 -5.305 1057 2HE LYS 127 HE1 LYS 127 -15.140 -5.757 -7.014 1058 1HZ LYS 127 HZ1 LYS 127 -13.073 -6.991 -6.775 1059 2HZ LYS 127 HZ3 LYS 127 -13.004 -6.593 -5.128 1060 3HZ LYS 127 HZ2 LYS 127 -14.258 -7.580 -5.711 1061 OH TYR 128 OH TYR 128 -10.947 6.228 -10.367 1062 H TYR 128 HN TYR 128 -11.720 0.733 -6.625 1063 HA TYR 128 HA TYR 128 -13.304 2.195 -4.719 1064 1HB TYR 128 HB2 TYR 128 -11.669 3.795 -4.790 1065 2HB TYR 128 HB1 TYR 128 -10.772 2.469 -5.518 1066 HD1 TYR 128 HD2 TYR 128 -11.507 2.246 -8.219 1067 HD2 TYR 128 HD1 TYR 128 -11.336 5.822 -5.846 1068 HE1 TYR 128 HE2 TYR 128 -11.218 3.602 -10.277 1069 HE2 TYR 128 HE1 TYR 128 -11.044 7.173 -7.903 1070 HH TYR 128 HH TYR 128 -11.805 6.321 -10.786 1071 H SER 129 HN SER 129 -13.770 1.727 -8.084 1072 HA SER 129 HA SER 129 -15.232 4.275 -8.411 1073 1HB SER 129 HB2 SER 129 -13.778 3.061 -10.216 1074 2HB SER 129 HB1 SER 129 -15.206 2.054 -10.438 1075 HG SER 129 HG SER 129 -15.232 3.888 -11.803 1076 H LYS 130 HN LYS 130 -16.151 1.996 -6.562 1077 HA LYS 130 HA LYS 130 -18.881 1.758 -7.747 1078 1HB LYS 130 HB2 LYS 130 -17.344 -0.392 -7.581 1079 2HB LYS 130 HB1 LYS 130 -17.827 -0.346 -5.886 1080 1HG LYS 130 HG2 LYS 130 -20.171 -0.440 -6.483 1081 2HG LYS 130 HG1 LYS 130 -19.788 -0.268 -8.196 1082 1HD LYS 130 HD2 LYS 130 -19.089 -2.447 -8.404 1083 2HD LYS 130 HD1 LYS 130 -18.486 -2.522 -6.748 1084 1HE LYS 130 HE2 LYS 130 -21.442 -2.288 -7.260 1085 2HE LYS 130 HE1 LYS 130 -20.649 -3.858 -7.372 1086 1HZ LYS 130 HZ3 LYS 130 -19.658 -2.841 -5.072 1087 2HZ LYS 130 HZ2 LYS 130 -21.259 -2.274 -5.051 1088 3HZ LYS 130 HZ1 LYS 130 -20.946 -3.939 -5.177 1089 H CYS 131 HN CYS 131 -17.693 3.706 -5.805 1090 HA CYS 131 HA CYS 131 -19.412 3.047 -3.444 1091 1HB CYS 131 HB2 CYS 131 -16.852 3.308 -3.135 1092 2HB CYS 131 HB1 CYS 131 -17.136 5.027 -3.396 1093 H SER 132 HN SER 132 -20.518 4.222 -5.768 1094 HA SER 132 HA SER 132 -21.331 6.845 -4.638 1095 1HB SER 132 HB2 SER 132 -20.106 6.381 -7.346 1096 2HB SER 132 HB1 SER 132 -21.277 7.677 -7.119 1097 HG SER 132 HG SER 132 -19.925 8.387 -5.356 1098 H SER 133 HN SER 133 -23.531 6.918 -4.627 1099 HA SER 133 HA SER 133 -25.046 4.868 -6.074 1100 1HB SER 133 HB2 SER 133 -26.974 5.738 -4.889 1101 2HB SER 133 HB1 SER 133 -25.633 5.633 -3.752 1102 HG SER 133 HG SER 133 -27.058 7.735 -4.285 Start of MODEL 20 Raw file had 1102 H/Q atoms Start of MODEL 20 1 1H GLU 1 HT3 GLU 1 -22.483 19.885 -3.168 2 2H GLU 1 HT2 GLU 1 -22.540 20.787 -4.607 3 3H GLU 1 HT1 GLU 1 -23.843 20.836 -3.517 4 HA GLU 1 HA GLU 1 -24.766 18.998 -4.336 5 1HB GLU 1 HB2 GLU 1 -22.649 19.634 -6.398 6 2HB GLU 1 HB1 GLU 1 -23.843 18.359 -6.648 7 1HG GLU 1 HG2 GLU 1 -25.574 20.214 -5.988 8 2HG GLU 1 HG1 GLU 1 -24.269 21.325 -6.410 9 H ALA 2 HN ALA 2 -24.048 17.585 -2.583 10 HA ALA 2 HA ALA 2 -22.495 15.314 -3.578 11 1HB ALA 2 HB1 ALA 2 -21.321 17.318 -1.745 12 2HB ALA 2 HB3 ALA 2 -21.140 15.641 -1.228 13 3HB ALA 2 HB2 ALA 2 -20.521 16.152 -2.799 14 H GLU 3 HN GLU 3 -23.022 13.436 -2.431 15 HA GLU 3 HA GLU 3 -24.889 13.820 -0.123 16 1HB GLU 3 HB2 GLU 3 -25.045 11.326 -1.739 17 2HB GLU 3 HB1 GLU 3 -26.336 12.258 -0.981 18 1HG GLU 3 HG2 GLU 3 -26.031 14.024 -2.720 19 2HG GLU 3 HG1 GLU 3 -24.837 12.993 -3.511 20 H ALA 4 HN ALA 4 -24.967 11.745 1.267 21 HA ALA 4 HA ALA 4 -22.195 11.043 1.936 22 1HB ALA 4 HB1 ALA 4 -24.681 11.185 3.332 23 2HB ALA 4 HB3 ALA 4 -24.086 9.530 3.463 24 3HB ALA 4 HB2 ALA 4 -23.078 10.875 3.997 25 H HIS 5 HN HIS 5 -21.198 9.282 1.107 26 HA HIS 5 HA HIS 5 -22.827 6.881 0.449 27 1HB HIS 5 HB2 HIS 5 -21.048 8.437 -1.421 28 2HB HIS 5 HB1 HIS 5 -21.293 6.707 -1.656 29 HD1 HIS 5 HD1 HIS 5 -24.276 6.504 -0.868 30 HD2 HIS 5 HD2 HIS 5 -22.746 9.455 -3.383 31 HE1 HIS 5 HE1 HIS 5 -26.221 7.339 -2.257 32 H LYS 6 HN LYS 6 -20.937 5.174 -0.434 33 HA LYS 6 HA LYS 6 -19.135 4.963 1.903 34 1HB LYS 6 HB2 LYS 6 -19.841 3.048 -0.336 35 2HB LYS 6 HB1 LYS 6 -18.635 2.686 0.899 36 1HG LYS 6 HG2 LYS 6 -20.247 2.089 2.348 37 2HG LYS 6 HG1 LYS 6 -21.016 3.668 2.178 38 1HD LYS 6 HD2 LYS 6 -22.610 2.867 0.779 39 2HD LYS 6 HD1 LYS 6 -21.448 1.908 -0.136 40 1HE LYS 6 HE2 LYS 6 -21.692 0.054 1.224 41 2HE LYS 6 HE1 LYS 6 -22.124 1.017 2.636 42 1HZ LYS 6 HZ3 LYS 6 -24.104 1.521 0.819 43 2HZ LYS 6 HZ2 LYS 6 -23.814 -0.146 0.655 44 3HZ LYS 6 HZ1 LYS 6 -24.219 0.504 2.172 45 H CYS 7 HN CYS 7 -18.312 7.057 0.356 46 HA CYS 7 HA CYS 7 -15.615 6.381 -0.289 47 1HB CYS 7 HB2 CYS 7 -15.916 6.939 -2.830 48 2HB CYS 7 HB1 CYS 7 -16.262 5.302 -2.273 49 H ASP 8 HN ASP 8 -16.083 8.347 1.232 50 HA ASP 8 HA ASP 8 -16.826 10.846 -0.060 51 1HB ASP 8 HB2 ASP 8 -16.530 9.964 2.574 52 2HB ASP 8 HB1 ASP 8 -15.220 11.124 2.361 53 H ILE 9 HN ILE 9 -14.747 12.544 0.956 54 HA ILE 9 HA ILE 9 -12.877 12.420 -1.213 55 HB ILE 9 HB ILE 9 -12.567 13.902 1.412 56 1HG1 ILE 9 HG12 ILE 9 -13.535 15.509 -0.773 57 2HG1 ILE 9 HG11 ILE 9 -14.607 14.125 -0.554 58 1HG2 ILE 9 HG23 ILE 9 -11.447 14.328 -1.375 59 2HG2 ILE 9 HG22 ILE 9 -11.294 15.490 -0.057 60 3HG2 ILE 9 HG21 ILE 9 -10.536 13.903 0.075 61 1HD1 ILE 9 HD11 ILE 9 -13.695 15.581 1.891 62 2HD1 ILE 9 HD13 ILE 9 -14.917 16.352 0.881 63 3HD1 ILE 9 HD12 ILE 9 -15.225 14.762 1.580 64 H THR 10 HN THR 10 -12.956 10.706 1.771 65 HA THR 10 HA THR 10 -10.128 10.451 2.228 66 HB THR 10 HB THR 10 -12.437 8.634 2.983 67 HG1 THR 10 HG1 THR 10 -10.995 10.635 4.391 68 1HG2 THR 10 HG22 THR 10 -9.497 8.557 3.548 69 2HG2 THR 10 HG21 THR 10 -10.614 8.060 4.820 70 3HG2 THR 10 HG23 THR 10 -10.620 7.226 3.267 71 H LEU 11 HN LEU 11 -12.445 8.101 0.836 72 HA LEU 11 HA LEU 11 -10.445 6.263 -0.028 73 1HB LEU 11 HB2 LEU 11 -13.221 6.343 0.017 74 2HB LEU 11 HB1 LEU 11 -12.845 6.315 -1.704 75 HG LEU 11 HG LEU 11 -11.459 4.314 -1.397 76 1HD1 LEU 11 HD11 LEU 11 -11.565 5.134 1.358 77 2HD1 LEU 11 HD13 LEU 11 -12.202 3.495 1.222 78 3HD1 LEU 11 HD12 LEU 11 -10.583 3.865 0.627 79 1HD2 LEU 11 HD21 LEU 11 -14.226 4.458 -1.228 80 2HD2 LEU 11 HD23 LEU 11 -13.294 2.992 -1.526 81 3HD2 LEU 11 HD22 LEU 11 -13.795 3.397 0.114 82 H GLN 12 HN GLN 12 -11.617 9.215 -1.493 83 HA GLN 12 HA GLN 12 -10.690 8.590 -4.169 84 1HB GLN 12 HB2 GLN 12 -11.421 11.161 -2.758 85 2HB GLN 12 HB1 GLN 12 -10.810 11.151 -4.413 86 1HG GLN 12 HG2 GLN 12 -12.691 9.243 -4.652 87 2HG GLN 12 HG1 GLN 12 -13.420 10.188 -3.353 88 1HE2 GLN 12 HE22 GLN 12 -13.364 13.209 -5.540 89 2HE2 GLN 12 HE21 GLN 12 -12.706 12.799 -4.030 90 H GLU 13 HN GLU 13 -9.335 10.586 -1.536 91 HA GLU 13 HA GLU 13 -6.884 11.173 -2.905 92 1HB GLU 13 HB2 GLU 13 -8.044 11.698 -0.330 93 2HB GLU 13 HB1 GLU 13 -6.391 11.123 -0.109 94 1HG GLU 13 HG2 GLU 13 -7.055 13.236 -2.157 95 2HG GLU 13 HG1 GLU 13 -6.722 13.658 -0.477 96 H ILE 14 HN ILE 14 -7.967 8.398 -1.073 97 HA ILE 14 HA ILE 14 -5.332 7.291 -0.591 98 HB ILE 14 HB ILE 14 -8.135 6.485 -0.209 99 1HG1 ILE 14 HG12 ILE 14 -6.275 5.136 1.490 100 2HG1 ILE 14 HG11 ILE 14 -5.713 6.795 1.282 101 1HG2 ILE 14 HG21 ILE 14 -6.031 4.430 -0.946 102 2HG2 ILE 14 HG23 ILE 14 -7.508 4.035 -0.068 103 3HG2 ILE 14 HG22 ILE 14 -7.606 4.674 -1.707 104 1HD1 ILE 14 HD12 ILE 14 -8.625 6.503 1.717 105 2HD1 ILE 14 HD11 ILE 14 -7.612 6.061 3.091 106 3HD1 ILE 14 HD13 ILE 14 -7.497 7.677 2.394 107 H ILE 15 HN ILE 15 -7.762 6.970 -3.136 108 HA ILE 15 HA ILE 15 -6.463 4.824 -4.543 109 HB ILE 15 HB ILE 15 -8.655 6.757 -5.056 110 1HG1 ILE 15 HG12 ILE 15 -8.520 3.903 -5.971 111 2HG1 ILE 15 HG11 ILE 15 -8.646 4.242 -4.245 112 1HG2 ILE 15 HG21 ILE 15 -7.009 5.488 -7.243 113 2HG2 ILE 15 HG23 ILE 15 -8.702 5.923 -7.481 114 3HG2 ILE 15 HG22 ILE 15 -7.517 7.171 -7.094 115 1HD1 ILE 15 HD12 ILE 15 -10.619 5.754 -4.816 116 2HD1 ILE 15 HD11 ILE 15 -10.570 5.054 -6.434 117 3HD1 ILE 15 HD13 ILE 15 -10.893 4.026 -5.038 118 H LYS 16 HN LYS 16 -6.474 8.364 -5.101 119 HA LYS 16 HA LYS 16 -4.697 8.385 -7.306 120 1HB LYS 16 HB2 LYS 16 -5.524 10.346 -5.225 121 2HB LYS 16 HB1 LYS 16 -4.041 10.706 -6.109 122 1HG LYS 16 HG2 LYS 16 -5.769 11.715 -7.388 123 2HG LYS 16 HG1 LYS 16 -5.385 10.221 -8.243 124 1HD LYS 16 HD2 LYS 16 -7.753 10.245 -8.130 125 2HD LYS 16 HD1 LYS 16 -7.259 9.143 -6.844 126 1HE LYS 16 HE2 LYS 16 -8.872 10.561 -5.831 127 2HE LYS 16 HE1 LYS 16 -7.317 11.194 -5.293 128 1HZ LYS 16 HZ3 LYS 16 -7.522 12.653 -7.399 129 2HZ LYS 16 HZ2 LYS 16 -9.178 12.292 -7.288 130 3HZ LYS 16 HZ1 LYS 16 -8.390 13.080 -6.006 131 H THR 17 HN THR 17 -3.907 8.951 -3.873 132 HA THR 17 HA THR 17 -1.110 9.030 -4.109 133 HB THR 17 HB THR 17 -2.485 7.657 -1.803 134 HG1 THR 17 HG1 THR 17 -2.181 10.403 -1.757 135 1HG2 THR 17 HG23 THR 17 0.081 8.008 -2.058 136 2HG2 THR 17 HG22 THR 17 -0.275 9.700 -1.711 137 3HG2 THR 17 HG21 THR 17 -0.677 8.454 -0.530 138 H LEU 18 HN LEU 18 -3.275 6.254 -4.040 139 HA LEU 18 HA LEU 18 -1.385 4.205 -3.592 140 1HB LEU 18 HB2 LEU 18 -4.027 4.167 -3.996 141 2HB LEU 18 HB1 LEU 18 -3.521 3.741 -5.630 142 HG LEU 18 HG LEU 18 -3.832 1.699 -4.332 143 1HD1 LEU 18 HD11 LEU 18 -1.770 2.115 -5.911 144 2HD1 LEU 18 HD13 LEU 18 -0.851 2.016 -4.409 145 3HD1 LEU 18 HD12 LEU 18 -1.842 0.653 -4.927 146 1HD2 LEU 18 HD23 LEU 18 -3.115 3.149 -2.167 147 2HD2 LEU 18 HD22 LEU 18 -3.050 1.387 -2.195 148 3HD2 LEU 18 HD21 LEU 18 -1.587 2.328 -2.485 149 H ASN 19 HN ASN 19 -2.617 5.240 -6.801 150 HA ASN 19 HA ASN 19 -0.718 3.821 -8.329 151 1HB ASN 19 HB2 ASN 19 -2.564 4.782 -9.483 152 2HB ASN 19 HB1 ASN 19 -2.195 6.399 -8.880 153 1HD2 ASN 19 HD22 ASN 19 0.455 4.910 -11.662 154 2HD2 ASN 19 HD21 ASN 19 -0.120 3.883 -10.439 155 H SER 20 HN SER 20 -0.343 6.835 -6.572 156 HA SER 20 HA SER 20 2.000 7.780 -7.927 157 1HB SER 20 HB2 SER 20 0.586 9.084 -6.275 158 2HB SER 20 HB1 SER 20 1.367 8.165 -4.991 159 HG SER 20 HG SER 20 2.264 10.312 -6.263 160 H LEU 21 HN LEU 21 1.617 5.621 -5.107 161 HA LEU 21 HA LEU 21 4.464 5.348 -4.678 162 1HB LEU 21 HB2 LEU 21 2.018 3.895 -3.728 163 2HB LEU 21 HB1 LEU 21 3.603 3.161 -3.477 164 HG LEU 21 HG LEU 21 3.755 5.945 -2.792 165 1HD1 LEU 21 HD13 LEU 21 1.414 4.404 -1.674 166 2HD1 LEU 21 HD12 LEU 21 2.189 5.688 -0.746 167 3HD1 LEU 21 HD11 LEU 21 1.446 6.051 -2.304 168 1HD2 LEU 21 HD21 LEU 21 5.132 3.950 -2.001 169 2HD2 LEU 21 HD23 LEU 21 4.622 5.066 -0.734 170 3HD2 LEU 21 HD22 LEU 21 3.774 3.537 -0.955 171 H THR 22 HN THR 22 2.282 3.957 -6.980 172 HA THR 22 HA THR 22 3.978 1.610 -7.471 173 HB THR 22 HB THR 22 1.811 2.543 -9.331 174 HG1 THR 22 HG1 THR 22 0.496 1.163 -7.801 175 1HG2 THR 22 HG22 THR 22 3.406 0.408 -9.455 176 2HG2 THR 22 HG21 THR 22 2.190 -0.255 -8.363 177 3HG2 THR 22 HG23 THR 22 1.719 0.327 -9.960 178 H GLU 23 HN GLU 23 4.551 4.761 -8.107 179 HA GLU 23 HA GLU 23 5.129 4.713 -10.937 180 1HB GLU 23 HB2 GLU 23 5.198 6.622 -8.830 181 2HB GLU 23 HB1 GLU 23 6.814 6.574 -9.536 182 1HG GLU 23 HG2 GLU 23 5.999 7.087 -11.710 183 2HG GLU 23 HG1 GLU 23 4.333 6.735 -11.251 184 H GLN 24 HN GLN 24 6.874 3.738 -8.058 185 HA GLN 24 HA GLN 24 9.175 2.954 -9.807 186 1HB GLN 24 HB2 GLN 24 9.495 4.825 -7.994 187 2HB GLN 24 HB1 GLN 24 9.495 3.468 -6.866 188 1HG GLN 24 HG2 GLN 24 11.176 2.564 -8.851 189 2HG GLN 24 HG1 GLN 24 11.550 4.288 -8.807 190 1HE2 GLN 24 HE22 GLN 24 12.280 3.937 -5.134 191 2HE2 GLN 24 HE21 GLN 24 11.109 4.785 -6.022 192 H LYS 25 HN LYS 25 7.797 0.954 -9.992 193 HA LYS 25 HA LYS 25 8.131 -0.790 -7.585 194 1HB LYS 25 HB2 LYS 25 6.238 -2.140 -8.630 195 2HB LYS 25 HB1 LYS 25 5.785 -0.548 -8.015 196 1HG LYS 25 HG2 LYS 25 5.439 0.318 -10.113 197 2HG LYS 25 HG1 LYS 25 6.695 -0.678 -10.847 198 1HD LYS 25 HD2 LYS 25 5.286 -2.524 -11.074 199 2HD LYS 25 HD1 LYS 25 4.204 -1.982 -9.790 200 1HE LYS 25 HE2 LYS 25 2.880 -1.019 -11.331 201 2HE LYS 25 HE1 LYS 25 4.213 0.038 -11.797 202 1HZ LYS 25 HZ3 LYS 25 3.985 -2.735 -12.803 203 2HZ LYS 25 HZ2 LYS 25 3.233 -1.430 -13.589 204 3HZ LYS 25 HZ1 LYS 25 4.924 -1.464 -13.422 205 H THR 26 HN THR 26 10.317 -1.291 -8.404 206 HA THR 26 HA THR 26 10.366 -3.701 -9.959 207 HB THR 26 HB THR 26 12.009 -2.138 -11.626 208 HG1 THR 26 HG1 THR 26 10.395 -0.647 -12.399 209 1HG2 THR 26 HG21 THR 26 10.543 -4.175 -12.100 210 2HG2 THR 26 HG23 THR 26 9.198 -3.045 -12.256 211 3HG2 THR 26 HG22 THR 26 10.575 -2.933 -13.352 212 H LEU 27 HN LEU 27 12.240 -0.845 -8.963 213 HA LEU 27 HA LEU 27 14.709 -2.395 -8.745 214 1HB LEU 27 HB2 LEU 27 14.447 0.151 -9.228 215 2HB LEU 27 HB1 LEU 27 14.255 0.302 -7.481 216 HG LEU 27 HG LEU 27 16.414 -0.997 -7.229 217 1HD1 LEU 27 HD13 LEU 27 16.036 -1.275 -10.046 218 2HD1 LEU 27 HD12 LEU 27 17.503 -0.331 -9.792 219 3HD1 LEU 27 HD11 LEU 27 17.342 -1.925 -9.056 220 1HD2 LEU 27 HD22 LEU 27 16.191 1.536 -7.147 221 2HD2 LEU 27 HD21 LEU 27 17.793 0.942 -7.584 222 3HD2 LEU 27 HD23 LEU 27 16.710 1.557 -8.832 223 H CYS 28 HN CYS 28 12.508 -0.821 -6.418 224 HA CYS 28 HA CYS 28 13.811 -2.286 -4.206 225 1HB CYS 28 HB2 CYS 28 12.934 0.191 -4.191 226 2HB CYS 28 HB1 CYS 28 11.372 -0.565 -3.871 227 H THR 29 HN THR 29 10.964 -2.512 -6.206 228 HA THR 29 HA THR 29 9.581 -4.284 -4.319 229 HB THR 29 HB THR 29 7.844 -4.407 -6.039 230 HG1 THR 29 HG1 THR 29 9.945 -3.669 -7.592 231 1HG2 THR 29 HG22 THR 29 8.066 -2.376 -4.553 232 2HG2 THR 29 HG21 THR 29 8.903 -1.577 -5.883 233 3HG2 THR 29 HG23 THR 29 7.223 -2.081 -6.073 234 H GLU 30 HN GLU 30 12.248 -4.895 -6.039 235 HA GLU 30 HA GLU 30 11.311 -7.428 -7.260 236 1HB GLU 30 HB2 GLU 30 13.562 -5.621 -7.652 237 2HB GLU 30 HB1 GLU 30 14.099 -7.293 -7.484 238 1HG GLU 30 HG2 GLU 30 11.714 -6.911 -9.190 239 2HG GLU 30 HG1 GLU 30 13.207 -6.218 -9.824 240 H LEU 31 HN LEU 31 11.794 -6.706 -4.192 241 HA LEU 31 HA LEU 31 13.645 -8.930 -3.591 242 1HB LEU 31 HB2 LEU 31 12.318 -6.800 -1.900 243 2HB LEU 31 HB1 LEU 31 13.166 -8.171 -1.180 244 HG LEU 31 HG LEU 31 14.559 -6.631 -3.332 245 1HD1 LEU 31 HD13 LEU 31 13.493 -5.033 -1.581 246 2HD1 LEU 31 HD12 LEU 31 14.678 -5.711 -0.464 247 3HD1 LEU 31 HD11 LEU 31 15.217 -4.867 -1.917 248 1HD2 LEU 31 HD21 LEU 31 15.173 -8.485 -1.126 249 2HD2 LEU 31 HD23 LEU 31 16.041 -8.207 -2.636 250 3HD2 LEU 31 HD22 LEU 31 16.299 -7.134 -1.260 251 H THR 32 HN THR 32 11.131 -8.595 -1.237 252 HA THR 32 HA THR 32 9.160 -10.256 -2.500 253 HB THR 32 HB THR 32 9.779 -12.176 -0.685 254 HG1 THR 32 HG1 THR 32 12.213 -12.294 -1.384 255 1HG2 THR 32 HG22 THR 32 9.645 -11.946 -3.428 256 2HG2 THR 32 HG21 THR 32 11.307 -12.481 -3.179 257 3HG2 THR 32 HG23 THR 32 9.968 -13.444 -2.556 258 H VAL 33 HN VAL 33 7.351 -10.588 -1.130 259 HA VAL 33 HA VAL 33 7.535 -9.649 1.673 260 HB VAL 33 HB VAL 33 5.592 -8.111 1.312 261 1HG1 VAL 33 HG13 VAL 33 7.940 -7.284 1.325 262 2HG1 VAL 33 HG12 VAL 33 8.001 -7.498 -0.425 263 3HG1 VAL 33 HG11 VAL 33 6.896 -6.319 0.281 264 1HG2 VAL 33 HG23 VAL 33 5.164 -9.435 -0.983 265 2HG2 VAL 33 HG22 VAL 33 4.653 -7.762 -0.769 266 3HG2 VAL 33 HG21 VAL 33 6.155 -8.124 -1.619 267 H THR 34 HN THR 34 4.844 -9.636 2.288 268 HA THR 34 HA THR 34 4.203 -12.492 2.030 269 HB THR 34 HB THR 34 3.602 -10.376 3.879 270 HG1 THR 34 HG1 THR 34 4.246 -12.319 4.615 271 1HG2 THR 34 HG23 THR 34 1.170 -11.828 2.802 272 2HG2 THR 34 HG22 THR 34 1.204 -10.851 4.263 273 3HG2 THR 34 HG21 THR 34 1.476 -10.097 2.695 274 H ASP 35 HN ASP 35 2.607 -13.330 0.722 275 HA ASP 35 HA ASP 35 1.296 -11.444 -1.150 276 1HB ASP 35 HB2 ASP 35 1.637 -13.123 -2.607 277 2HB ASP 35 HB1 ASP 35 2.229 -14.163 -1.312 278 H ILE 36 HN ILE 36 -0.774 -10.823 -0.830 279 HA ILE 36 HA ILE 36 -2.448 -12.469 1.025 280 HB ILE 36 HB ILE 36 -3.329 -10.515 1.974 281 1HG1 ILE 36 HG12 ILE 36 -2.449 -9.209 -0.603 282 2HG1 ILE 36 HG11 ILE 36 -4.066 -9.276 0.097 283 1HG2 ILE 36 HG23 ILE 36 -0.834 -10.835 2.383 284 2HG2 ILE 36 HG22 ILE 36 -0.558 -9.583 1.171 285 3HG2 ILE 36 HG21 ILE 36 -1.435 -9.199 2.653 286 1HD1 ILE 36 HD13 ILE 36 -3.082 -7.927 2.058 287 2HD1 ILE 36 HD12 ILE 36 -1.715 -7.609 0.990 288 3HD1 ILE 36 HD11 ILE 36 -3.332 -7.069 0.538 289 H PHE 37 HN PHE 37 -2.150 -12.373 -2.059 290 HA PHE 37 HA PHE 37 -5.057 -11.931 -2.611 291 1HB PHE 37 HB2 PHE 37 -2.680 -11.450 -4.432 292 2HB PHE 37 HB1 PHE 37 -4.363 -11.385 -4.956 293 HD1 PHE 37 HD2 PHE 37 -5.921 -9.701 -3.935 294 HD2 PHE 37 HD1 PHE 37 -1.684 -9.640 -3.225 295 HE1 PHE 37 HE2 PHE 37 -6.089 -7.362 -3.133 296 HE2 PHE 37 HE1 PHE 37 -1.854 -7.300 -2.423 297 HZ PHE 37 HZ PHE 37 -4.056 -6.163 -2.375 298 H ALA 38 HN ALA 38 -3.642 -14.396 -1.760 299 HA ALA 38 HA ALA 38 -3.412 -16.085 -4.126 300 1HB ALA 38 HB2 ALA 38 -2.208 -16.424 -1.887 301 2HB ALA 38 HB1 ALA 38 -3.748 -17.026 -1.272 302 3HB ALA 38 HB3 ALA 38 -2.943 -17.860 -2.601 303 H ALA 39 HN ALA 39 -5.873 -15.411 -1.685 304 HA ALA 39 HA ALA 39 -7.921 -16.550 -3.462 305 1HB ALA 39 HB2 ALA 39 -7.036 -17.849 -0.924 306 2HB ALA 39 HB1 ALA 39 -8.769 -17.804 -1.250 307 3HB ALA 39 HB3 ALA 39 -7.676 -18.580 -2.396 308 H SER 40 HN SER 40 -9.168 -14.708 -3.503 309 HA SER 40 HA SER 40 -10.067 -13.646 -0.857 310 1HB SER 40 HB2 SER 40 -10.010 -11.390 -1.744 311 2HB SER 40 HB1 SER 40 -8.427 -12.120 -1.993 312 HG SER 40 HG SER 40 -10.401 -11.419 -3.820 313 H LYS 41 HN LYS 41 -12.131 -14.469 -0.805 314 HA LYS 41 HA LYS 41 -13.940 -13.653 -3.030 315 1HB LYS 41 HB2 LYS 41 -13.157 -16.175 -3.010 316 2HB LYS 41 HB1 LYS 41 -14.332 -16.317 -1.702 317 1HG LYS 41 HG2 LYS 41 -15.458 -14.790 -3.881 318 2HG LYS 41 HG1 LYS 41 -14.865 -16.342 -4.472 319 1HD LYS 41 HD2 LYS 41 -16.429 -16.304 -1.920 320 2HD LYS 41 HD1 LYS 41 -17.303 -16.122 -3.441 321 1HE LYS 41 HE2 LYS 41 -15.635 -18.191 -4.057 322 2HE LYS 41 HE1 LYS 41 -15.911 -18.486 -2.340 323 1HZ LYS 41 HZ3 LYS 41 -18.330 -18.219 -2.824 324 2HZ LYS 41 HZ2 LYS 41 -17.947 -18.224 -4.479 325 3HZ LYS 41 HZ1 LYS 41 -17.616 -19.589 -3.522 326 H ASP 42 HN ASP 42 -13.385 -12.723 -0.193 327 HA ASP 42 HA ASP 42 -16.108 -12.245 0.573 328 1HB ASP 42 HB2 ASP 42 -15.043 -14.743 1.434 329 2HB ASP 42 HB1 ASP 42 -15.134 -13.698 2.852 330 H THR 43 HN THR 43 -13.618 -10.788 0.216 331 HA THR 43 HA THR 43 -13.206 -9.782 3.004 332 HB THR 43 HB THR 43 -11.092 -8.777 1.570 333 HG1 THR 43 HG1 THR 43 -11.154 -9.904 -0.221 334 1HG2 THR 43 HG22 THR 43 -11.035 -9.910 3.777 335 2HG2 THR 43 HG21 THR 43 -11.213 -11.465 2.966 336 3HG2 THR 43 HG23 THR 43 -9.763 -10.495 2.704 337 H THR 44 HN THR 44 -13.287 -7.506 3.300 338 HA THR 44 HA THR 44 -14.558 -6.048 1.038 339 HB THR 44 HB THR 44 -14.616 -4.517 3.443 340 HG1 THR 44 HG1 THR 44 -15.840 -6.997 3.864 341 1HG2 THR 44 HG23 THR 44 -16.250 -4.702 1.463 342 2HG2 THR 44 HG22 THR 44 -16.894 -6.122 2.286 343 3HG2 THR 44 HG21 THR 44 -16.954 -4.545 3.072 344 H GLU 45 HN GLU 45 -14.008 -3.579 1.136 345 HA GLU 45 HA GLU 45 -11.222 -3.315 0.564 346 1HB GLU 45 HB2 GLU 45 -11.726 -0.818 0.664 347 2HB GLU 45 HB1 GLU 45 -12.723 -1.749 -0.452 348 1HG GLU 45 HG2 GLU 45 -13.974 -1.801 2.123 349 2HG GLU 45 HG1 GLU 45 -13.584 -0.127 1.727 350 H LYS 46 HN LYS 46 -13.078 -2.885 3.514 351 HA LYS 46 HA LYS 46 -11.049 -1.444 4.967 352 1HB LYS 46 HB2 LYS 46 -12.345 -2.058 6.968 353 2HB LYS 46 HB1 LYS 46 -13.413 -1.494 5.684 354 1HG LYS 46 HG2 LYS 46 -13.526 -4.051 5.052 355 2HG LYS 46 HG1 LYS 46 -13.016 -4.282 6.724 356 1HD LYS 46 HD2 LYS 46 -15.361 -4.275 6.890 357 2HD LYS 46 HD1 LYS 46 -14.935 -2.612 7.293 358 1HE LYS 46 HE2 LYS 46 -15.138 -2.419 4.589 359 2HE LYS 46 HE1 LYS 46 -16.329 -3.681 4.906 360 1HZ LYS 46 HZ3 LYS 46 -17.017 -2.033 6.802 361 2HZ LYS 46 HZ2 LYS 46 -16.299 -0.884 5.777 362 3HZ LYS 46 HZ1 LYS 46 -17.595 -1.831 5.221 363 H GLU 47 HN GLU 47 -11.803 -4.901 4.612 364 HA GLU 47 HA GLU 47 -9.822 -5.805 6.502 365 1HB GLU 47 HB2 GLU 47 -11.832 -6.993 4.987 366 2HB GLU 47 HB1 GLU 47 -10.350 -7.638 4.281 367 1HG GLU 47 HG2 GLU 47 -10.736 -9.146 6.020 368 2HG GLU 47 HG1 GLU 47 -9.641 -7.995 6.784 369 H THR 48 HN THR 48 -9.788 -5.082 3.044 370 HA THR 48 HA THR 48 -7.120 -6.141 2.603 371 HB THR 48 HB THR 48 -8.826 -4.216 1.000 372 HG1 THR 48 HG1 THR 48 -8.181 -6.710 0.053 373 1HG2 THR 48 HG21 THR 48 -6.143 -5.484 0.422 374 2HG2 THR 48 HG23 THR 48 -7.196 -4.864 -0.849 375 3HG2 THR 48 HG22 THR 48 -6.563 -3.770 0.381 376 H PHE 49 HN PHE 49 -8.378 -3.091 3.786 377 HA PHE 49 HA PHE 49 -5.969 -1.578 3.181 378 1HB PHE 49 HB2 PHE 49 -8.161 -1.027 5.197 379 2HB PHE 49 HB1 PHE 49 -6.868 0.085 4.782 380 HD1 PHE 49 HD2 PHE 49 -6.759 -0.444 1.780 381 HD2 PHE 49 HD1 PHE 49 -10.047 0.187 4.472 382 HE1 PHE 49 HE2 PHE 49 -8.125 0.440 -0.089 383 HE2 PHE 49 HE1 PHE 49 -11.411 1.065 2.602 384 HZ PHE 49 HZ PHE 49 -10.451 1.199 0.325 385 H CYS 50 HN CYS 50 -7.254 -3.090 6.155 386 HA CYS 50 HA CYS 50 -5.019 -2.304 7.775 387 1HB CYS 50 HB2 CYS 50 -7.207 -3.016 8.708 388 2HB CYS 50 HB1 CYS 50 -6.892 -4.662 8.157 389 NH1 ARG 51 NH2 ARG 51 -8.513 -10.189 6.645 390 NH2 ARG 51 NH1 ARG 51 -8.024 -10.575 8.816 391 H ARG 51 HN ARG 51 -5.749 -5.441 6.176 392 HA ARG 51 HA ARG 51 -3.368 -6.753 7.021 393 1HB ARG 51 HB2 ARG 51 -5.470 -7.207 5.054 394 2HB ARG 51 HB1 ARG 51 -3.896 -7.732 4.454 395 1HG ARG 51 HG2 ARG 51 -3.772 -9.447 5.932 396 2HG ARG 51 HG1 ARG 51 -4.388 -8.462 7.259 397 1HD ARG 51 HD2 ARG 51 -6.616 -8.705 5.674 398 2HD ARG 51 HD1 ARG 51 -5.834 -10.265 5.432 399 HE ARG 51 HE ARG 51 -5.761 -9.879 8.182 400 1HH1 ARG 51 HH21 ARG 51 -8.240 -9.910 5.726 401 2HH1 ARG 51 HH22 ARG 51 -9.458 -10.462 6.820 402 1HH2 ARG 51 HH11 ARG 51 -7.369 -10.592 9.570 403 2HH2 ARG 51 HH12 ARG 51 -8.975 -10.844 8.973 404 H ALA 52 HN ALA 52 -4.016 -5.103 3.910 405 HA ALA 52 HA ALA 52 -1.300 -5.235 3.010 406 1HB ALA 52 HB3 ALA 52 -3.300 -4.763 1.565 407 2HB ALA 52 HB2 ALA 52 -3.369 -3.151 2.279 408 3HB ALA 52 HB1 ALA 52 -1.965 -3.635 1.326 409 H ALA 53 HN ALA 53 -2.810 -3.267 5.409 410 HA ALA 53 HA ALA 53 -0.967 -1.022 5.171 411 1HB ALA 53 HB3 ALA 53 -3.127 -1.859 7.062 412 2HB ALA 53 HB2 ALA 53 -1.915 -0.723 7.655 413 3HB ALA 53 HB1 ALA 53 -2.890 -0.314 6.243 414 H THR 54 HN THR 54 -1.113 -4.060 6.941 415 HA THR 54 HA THR 54 1.066 -3.445 8.750 416 HB THR 54 HB THR 54 -0.248 -6.019 7.854 417 HG1 THR 54 HG1 THR 54 -0.024 -4.861 10.421 418 1HG2 THR 54 HG22 THR 54 2.162 -5.610 9.629 419 2HG2 THR 54 HG21 THR 54 1.148 -7.049 9.732 420 3HG2 THR 54 HG23 THR 54 2.008 -6.682 8.238 421 H VAL 55 HN VAL 55 0.795 -5.248 5.682 422 HA VAL 55 HA VAL 55 3.594 -5.849 5.467 423 HB VAL 55 HB VAL 55 1.419 -5.541 3.369 424 1HG1 VAL 55 HG12 VAL 55 4.300 -6.461 3.114 425 2HG1 VAL 55 HG11 VAL 55 3.063 -6.777 1.896 426 3HG1 VAL 55 HG13 VAL 55 3.531 -5.118 2.268 427 1HG2 VAL 55 HG22 VAL 55 1.642 -7.459 5.236 428 2HG2 VAL 55 HG21 VAL 55 1.102 -7.819 3.595 429 3HG2 VAL 55 HG23 VAL 55 2.779 -8.114 4.056 430 H LEU 56 HN LEU 56 1.636 -3.059 4.614 431 HA LEU 56 HA LEU 56 3.646 -1.676 3.076 432 1HB LEU 56 HB2 LEU 56 0.976 -1.123 4.143 433 2HB LEU 56 HB1 LEU 56 2.039 0.281 4.238 434 HG LEU 56 HG LEU 56 2.633 -0.129 1.809 435 1HD1 LEU 56 HD11 LEU 56 1.588 -2.563 2.100 436 2HD1 LEU 56 HD13 LEU 56 0.117 -1.733 1.592 437 3HD1 LEU 56 HD12 LEU 56 1.538 -1.730 0.547 438 1HD2 LEU 56 HD22 LEU 56 0.249 0.989 2.983 439 2HD2 LEU 56 HD21 LEU 56 1.133 1.537 1.559 440 3HD2 LEU 56 HD23 LEU 56 -0.138 0.325 1.396 441 NH1 ARG 57 NH2 ARG 57 1.676 2.938 10.894 442 NH2 ARG 57 NH1 ARG 57 3.505 4.145 11.443 443 H ARG 57 HN ARG 57 2.951 -2.001 6.498 444 HA ARG 57 HA ARG 57 4.614 0.226 7.334 445 1HB ARG 57 HB2 ARG 57 2.706 -0.942 8.644 446 2HB ARG 57 HB1 ARG 57 3.918 -2.158 9.047 447 1HG ARG 57 HG2 ARG 57 4.713 -0.820 10.669 448 2HG ARG 57 HG1 ARG 57 5.097 0.406 9.460 449 1HD ARG 57 HD2 ARG 57 2.456 0.833 9.628 450 2HD ARG 57 HD1 ARG 57 2.721 0.187 11.248 451 HE ARG 57 HE ARG 57 4.723 2.073 10.962 452 1HH1 ARG 57 HH21 ARG 57 1.250 2.085 10.598 453 2HH1 ARG 57 HH22 ARG 57 1.106 3.741 11.069 454 1HH2 ARG 57 HH11 ARG 57 4.495 4.215 11.567 455 2HH2 ARG 57 HH12 ARG 57 2.922 4.939 11.614 456 H GLN 58 HN GLN 58 5.140 -3.174 6.624 457 HA GLN 58 HA GLN 58 7.760 -3.270 7.903 458 1HB GLN 58 HB2 GLN 58 6.196 -5.259 7.369 459 2HB GLN 58 HB1 GLN 58 6.818 -5.133 5.722 460 1HG GLN 58 HG2 GLN 58 9.018 -5.008 7.571 461 2HG GLN 58 HG1 GLN 58 8.037 -6.428 7.933 462 1HE2 GLN 58 HE22 GLN 58 8.786 -8.064 4.849 463 2HE2 GLN 58 HE21 GLN 58 7.703 -8.010 6.155 464 H PHE 59 HN PHE 59 6.519 -2.436 4.727 465 HA PHE 59 HA PHE 59 9.192 -2.468 3.502 466 1HB PHE 59 HB2 PHE 59 7.839 -2.803 1.725 467 2HB PHE 59 HB1 PHE 59 6.424 -2.223 2.600 468 HD1 PHE 59 HD1 PHE 59 9.525 -1.003 0.890 469 HD2 PHE 59 HD2 PHE 59 5.485 -0.135 2.066 470 HE1 PHE 59 HE1 PHE 59 9.606 1.116 -0.394 471 HE2 PHE 59 HE2 PHE 59 5.569 1.985 0.784 472 HZ PHE 59 HZ PHE 59 7.628 2.611 -0.445 473 OH TYR 60 OH TYR 60 6.921 5.471 9.876 474 H TYR 60 HN TYR 60 7.046 -0.121 4.983 475 HA TYR 60 HA TYR 60 8.715 2.129 4.044 476 1HB TYR 60 HB2 TYR 60 6.729 3.171 4.192 477 2HB TYR 60 HB1 TYR 60 6.022 1.800 5.046 478 HD1 TYR 60 HD2 TYR 60 6.093 1.668 7.509 479 HD2 TYR 60 HD1 TYR 60 7.646 5.071 5.394 480 HE1 TYR 60 HE2 TYR 60 6.128 2.966 9.620 481 HE2 TYR 60 HE1 TYR 60 7.679 6.369 7.508 482 HH TYR 60 HH TYR 60 6.301 6.199 9.786 483 H SER 61 HN SER 61 8.488 0.057 6.812 484 HA SER 61 HA SER 61 9.810 2.022 8.573 485 1HB SER 61 HB2 SER 61 8.009 0.355 9.329 486 2HB SER 61 HB1 SER 61 9.262 -0.878 9.213 487 HG SER 61 HG SER 61 10.193 -0.085 10.937 488 H HIS 62 HN HIS 62 10.563 -1.235 7.269 489 HA HIS 62 HA HIS 62 13.356 -0.921 8.164 490 1HB HIS 62 HB2 HIS 62 11.612 -3.122 7.452 491 2HB HIS 62 HB1 HIS 62 13.144 -3.237 6.585 492 HD1 HIS 62 HD1 HIS 62 15.102 -2.137 8.631 493 HD2 HIS 62 HD2 HIS 62 12.026 -4.760 9.651 494 HE1 HIS 62 HE1 HIS 62 15.792 -3.240 10.806 495 H HIS 63 HN HIS 63 11.691 -1.463 5.035 496 HA HIS 63 HA HIS 63 14.059 -1.180 3.458 497 1HB HIS 63 HB2 HIS 63 11.208 -1.459 3.007 498 2HB HIS 63 HB1 HIS 63 11.920 -0.314 1.869 499 HD1 HIS 63 HD1 HIS 63 14.726 -1.635 1.591 500 HD2 HIS 63 HD2 HIS 63 11.126 -3.728 1.396 501 HE1 HIS 63 HE1 HIS 63 15.204 -3.766 0.308 502 H GLU 64 HN GLU 64 12.172 1.199 5.110 503 HA GLU 64 HA GLU 64 12.630 3.428 3.363 504 1HB GLU 64 HB2 GLU 64 11.048 3.996 4.922 505 2HB GLU 64 HB1 GLU 64 11.815 3.053 6.199 506 1HG GLU 64 HG2 GLU 64 13.470 4.733 6.583 507 2HG GLU 64 HG1 GLU 64 13.043 5.589 5.100 508 H LYS 65 HN LYS 65 14.634 1.840 5.771 509 HA LYS 65 HA LYS 65 16.748 3.881 5.208 510 1HB LYS 65 HB2 LYS 65 17.454 2.553 7.580 511 2HB LYS 65 HB1 LYS 65 16.867 4.207 7.427 512 1HG LYS 65 HG2 LYS 65 14.536 3.383 7.589 513 2HG LYS 65 HG1 LYS 65 15.143 1.737 7.784 514 1HD LYS 65 HD2 LYS 65 16.568 2.857 9.726 515 2HD LYS 65 HD1 LYS 65 15.260 4.039 9.694 516 1HE LYS 65 HE2 LYS 65 14.116 1.416 9.555 517 2HE LYS 65 HE1 LYS 65 15.254 1.461 10.902 518 1HZ LYS 65 HZ3 LYS 65 14.143 3.629 11.517 519 2HZ LYS 65 HZ2 LYS 65 12.915 3.210 10.421 520 3HZ LYS 65 HZ1 LYS 65 13.232 2.221 11.766 521 H ASP 66 HN ASP 66 15.951 0.887 4.267 522 HA ASP 66 HA ASP 66 18.435 -0.530 4.850 523 1HB ASP 66 HB2 ASP 66 16.019 -1.057 3.141 524 2HB ASP 66 HB1 ASP 66 17.477 -2.017 2.903 525 H THR 67 HN THR 67 20.300 -0.378 3.678 526 HA THR 67 HA THR 67 20.686 1.605 1.691 527 HB THR 67 HB THR 67 22.518 0.552 3.011 528 HG1 THR 67 HG1 THR 67 23.903 0.228 1.100 529 1HG2 THR 67 HG21 THR 67 21.355 -1.822 2.149 530 2HG2 THR 67 HG23 THR 67 22.850 -1.726 1.218 531 3HG2 THR 67 HG22 THR 67 22.903 -1.670 2.980 532 NH1 ARG 68 NH2 ARG 68 17.801 -6.819 3.239 533 NH2 ARG 68 NH1 ARG 68 17.228 -8.104 1.473 534 H ARG 68 HN ARG 68 19.467 -1.657 1.413 535 HA ARG 68 HA ARG 68 20.032 -2.107 -1.352 536 1HB ARG 68 HB2 ARG 68 17.646 -3.080 0.248 537 2HB ARG 68 HB1 ARG 68 18.258 -3.786 -1.250 538 1HG ARG 68 HG2 ARG 68 19.958 -4.859 -0.193 539 2HG ARG 68 HG1 ARG 68 20.292 -3.485 0.862 540 1HD ARG 68 HD2 ARG 68 19.468 -5.022 2.402 541 2HD ARG 68 HD1 ARG 68 17.990 -4.166 1.965 542 HE ARG 68 HE ARG 68 18.126 -6.251 0.140 543 1HH1 ARG 68 HH21 ARG 68 18.190 -5.982 3.619 544 2HH1 ARG 68 HH22 ARG 68 17.456 -7.528 3.854 545 1HH2 ARG 68 HH11 ARG 68 17.178 -8.252 0.485 546 2HH2 ARG 68 HH12 ARG 68 16.885 -8.803 2.101 547 H CYS 69 HN CYS 69 17.315 -0.484 0.270 548 HA CYS 69 HA CYS 69 16.008 0.046 -2.314 549 1HB CYS 69 HB2 CYS 69 14.890 -0.403 0.028 550 2HB CYS 69 HB1 CYS 69 15.161 1.325 0.265 551 H LEU 70 HN LEU 70 18.191 1.667 -0.136 552 HA LEU 70 HA LEU 70 17.600 4.362 -0.976 553 1HB LEU 70 HB2 LEU 70 20.097 3.138 0.235 554 2HB LEU 70 HB1 LEU 70 19.857 4.871 -0.001 555 HG LEU 70 HG LEU 70 18.093 3.053 1.670 556 1HD1 LEU 70 HD11 LEU 70 20.416 3.676 2.553 557 2HD1 LEU 70 HD13 LEU 70 19.840 5.342 2.591 558 3HD1 LEU 70 HD12 LEU 70 19.050 4.114 3.579 559 1HD2 LEU 70 HD21 LEU 70 17.770 5.765 0.575 560 2HD2 LEU 70 HD23 LEU 70 16.557 4.672 1.243 561 3HD2 LEU 70 HD22 LEU 70 17.528 5.675 2.320 562 H GLY 71 HN GLY 71 20.637 2.593 -1.619 563 1HA GLY 71 HA2 GLY 71 20.883 2.228 -4.227 564 2HA GLY 71 HA1 GLY 71 20.779 3.990 -4.237 565 H ALA 72 HN ALA 72 22.665 5.102 -3.972 566 HA ALA 72 HA ALA 72 24.856 3.996 -2.371 567 1HB ALA 72 HB2 ALA 72 24.768 3.458 -5.166 568 2HB ALA 72 HB1 ALA 72 26.042 4.648 -4.899 569 3HB ALA 72 HB3 ALA 72 26.078 3.109 -4.038 570 H THR 73 HN THR 73 24.041 6.434 -4.865 571 HA THR 73 HA THR 73 25.854 8.380 -3.622 572 HB THR 73 HB THR 73 24.891 9.922 -5.381 573 HG1 THR 73 HG1 THR 73 23.754 7.678 -6.574 574 1HG2 THR 73 HG22 THR 73 26.348 7.389 -5.839 575 2HG2 THR 73 HG21 THR 73 25.684 8.149 -7.285 576 3HG2 THR 73 HG23 THR 73 26.803 9.042 -6.253 577 H ALA 74 HN ALA 74 24.955 10.581 -3.014 578 HA ALA 74 HA ALA 74 22.805 10.231 -1.089 579 1HB ALA 74 HB3 ALA 74 24.597 12.478 -1.930 580 2HB ALA 74 HB2 ALA 74 23.133 12.864 -1.028 581 3HB ALA 74 HB1 ALA 74 24.343 11.790 -0.327 582 H GLN 75 HN GLN 75 23.052 11.486 -4.356 583 HA GLN 75 HA GLN 75 20.687 13.043 -4.459 584 1HB GLN 75 HB2 GLN 75 22.003 11.323 -6.580 585 2HB GLN 75 HB1 GLN 75 20.683 12.447 -6.909 586 1HG GLN 75 HG2 GLN 75 22.020 14.324 -6.128 587 2HG GLN 75 HG1 GLN 75 23.319 13.236 -5.635 588 1HE2 GLN 75 HE22 GLN 75 22.681 13.504 -9.696 589 2HE2 GLN 75 HE21 GLN 75 21.343 13.438 -8.654 590 H GLN 76 HN GLN 76 21.080 9.589 -5.345 591 HA GLN 76 HA GLN 76 18.355 9.037 -5.820 592 1HB GLN 76 HB2 GLN 76 20.770 7.526 -5.470 593 2HB GLN 76 HB1 GLN 76 19.477 6.756 -4.550 594 1HG GLN 76 HG2 GLN 76 18.755 7.695 -7.273 595 2HG GLN 76 HG1 GLN 76 19.854 6.316 -7.191 596 1HE2 GLN 76 HE22 GLN 76 15.984 5.643 -6.594 597 2HE2 GLN 76 HE21 GLN 76 16.615 7.012 -7.375 598 H PHE 77 HN PHE 77 20.084 9.381 -2.783 599 HA PHE 77 HA PHE 77 18.115 8.148 -1.098 600 1HB PHE 77 HB2 PHE 77 20.400 8.686 -0.314 601 2HB PHE 77 HB1 PHE 77 20.036 10.406 -0.448 602 HD1 PHE 77 HD1 PHE 77 18.933 7.260 1.238 603 HD2 PHE 77 HD2 PHE 77 18.943 11.555 1.296 604 HE1 PHE 77 HE1 PHE 77 17.920 7.232 3.503 605 HE2 PHE 77 HE2 PHE 77 17.930 11.527 3.559 606 HZ PHE 77 HZ PHE 77 17.418 9.366 4.662 607 H HIS 78 HN HIS 78 18.589 11.535 -2.123 608 HA HIS 78 HA HIS 78 16.433 12.652 -0.652 609 1HB HIS 78 HB2 HIS 78 18.032 14.108 -1.730 610 2HB HIS 78 HB1 HIS 78 17.629 13.453 -3.318 611 HD1 HIS 78 HD1 HIS 78 15.489 14.297 -4.454 612 HD2 HIS 78 HD2 HIS 78 16.018 15.844 -0.619 613 HE1 HIS 78 HE1 HIS 78 13.772 16.139 -4.181 614 NH1 ARG 79 NH2 ARG 79 16.091 12.282 -10.152 615 NH2 ARG 79 NH1 ARG 79 17.308 10.383 -10.036 616 H ARG 79 HN ARG 79 16.501 11.243 -3.921 617 HA ARG 79 HA ARG 79 13.737 11.747 -4.502 618 1HB ARG 79 HB2 ARG 79 15.870 10.742 -5.915 619 2HB ARG 79 HB1 ARG 79 14.886 9.298 -5.674 620 1HG ARG 79 HG2 ARG 79 13.466 9.983 -7.276 621 2HG ARG 79 HG1 ARG 79 13.144 11.463 -6.373 622 1HD ARG 79 HD2 ARG 79 14.016 11.978 -8.624 623 2HD ARG 79 HD1 ARG 79 15.137 12.516 -7.374 624 HE ARG 79 HE ARG 79 16.001 9.954 -8.006 625 1HH1 ARG 79 HH21 ARG 79 15.387 12.890 -9.791 626 2HH1 ARG 79 HH22 ARG 79 16.580 12.531 -10.989 627 1HH2 ARG 79 HH11 ARG 79 17.538 9.524 -9.579 628 2HH2 ARG 79 HH12 ARG 79 17.787 10.647 -10.873 629 H HIS 80 HN HIS 80 15.364 9.244 -2.664 630 HA HIS 80 HA HIS 80 13.091 7.429 -2.620 631 1HB HIS 80 HB2 HIS 80 15.254 6.472 -2.242 632 2HB HIS 80 HB1 HIS 80 15.616 7.634 -0.966 633 HD1 HIS 80 HD1 HIS 80 13.340 4.686 -1.691 634 HD2 HIS 80 HD2 HIS 80 14.693 6.901 1.572 635 HE1 HIS 80 HE1 HIS 80 12.542 3.469 0.383 636 H LYS 81 HN LYS 81 14.141 10.174 -0.711 637 HA LYS 81 HA LYS 81 12.572 9.652 1.629 638 1HB LYS 81 HB2 LYS 81 13.466 11.607 2.331 639 2HB LYS 81 HB1 LYS 81 14.357 11.617 0.810 640 1HG LYS 81 HG2 LYS 81 12.408 12.810 -0.244 641 2HG LYS 81 HG1 LYS 81 11.682 12.934 1.361 642 1HD LYS 81 HD2 LYS 81 14.502 13.821 1.146 643 2HD LYS 81 HD1 LYS 81 13.313 14.833 0.326 644 1HE LYS 81 HE2 LYS 81 11.967 14.649 2.548 645 2HE LYS 81 HE1 LYS 81 13.502 14.147 3.253 646 1HZ LYS 81 HZ3 LYS 81 14.239 16.288 1.827 647 2HZ LYS 81 HZ2 LYS 81 12.671 16.745 2.292 648 3HZ LYS 81 HZ1 LYS 81 13.825 16.339 3.472 649 H GLN 82 HN GLN 82 11.799 11.021 -1.505 650 HA GLN 82 HA GLN 82 9.251 12.146 -0.734 651 1HB GLN 82 HB2 GLN 82 10.814 11.848 -3.162 652 2HB GLN 82 HB1 GLN 82 9.115 11.480 -3.460 653 1HG GLN 82 HG2 GLN 82 9.486 13.836 -1.754 654 2HG GLN 82 HG1 GLN 82 10.205 14.024 -3.353 655 1HE2 GLN 82 HE22 GLN 82 6.962 14.948 -4.446 656 2HE2 GLN 82 HE21 GLN 82 8.558 15.462 -4.177 657 H LEU 83 HN LEU 83 10.226 9.034 -2.168 658 HA LEU 83 HA LEU 83 7.583 8.014 -2.542 659 1HB LEU 83 HB2 LEU 83 9.416 6.903 -3.626 660 2HB LEU 83 HB1 LEU 83 10.236 6.630 -2.088 661 HG LEU 83 HG LEU 83 7.480 5.570 -2.244 662 1HD1 LEU 83 HD13 LEU 83 9.621 4.800 -4.166 663 2HD1 LEU 83 HD12 LEU 83 8.714 3.486 -3.418 664 3HD1 LEU 83 HD11 LEU 83 7.869 4.725 -4.346 665 1HD2 LEU 83 HD21 LEU 83 10.099 4.964 -1.002 666 2HD2 LEU 83 HD23 LEU 83 8.472 4.765 -0.351 667 3HD2 LEU 83 HD22 LEU 83 9.140 3.552 -1.447 668 H ILE 84 HN ILE 84 9.891 7.448 0.134 669 HA ILE 84 HA ILE 84 8.233 5.844 1.742 670 HB ILE 84 HB ILE 84 10.262 7.925 2.607 671 1HG1 ILE 84 HG12 ILE 84 11.200 6.222 1.111 672 2HG1 ILE 84 HG11 ILE 84 11.766 5.946 2.759 673 1HG2 ILE 84 HG22 ILE 84 8.747 7.248 4.442 674 2HG2 ILE 84 HG21 ILE 84 9.106 5.554 4.106 675 3HG2 ILE 84 HG23 ILE 84 10.377 6.626 4.693 676 1HD1 ILE 84 HD12 ILE 84 9.814 4.322 3.019 677 2HD1 ILE 84 HD11 ILE 84 9.598 4.450 1.272 678 3HD1 ILE 84 HD13 ILE 84 11.102 3.805 1.930 679 NH1 ARG 85 NH2 ARG 85 7.102 16.325 2.673 680 NH2 ARG 85 NH1 ARG 85 6.184 16.347 4.737 681 H ARG 85 HN ARG 85 8.344 9.386 1.483 682 HA ARG 85 HA ARG 85 6.601 9.962 3.659 683 1HB ARG 85 HB2 ARG 85 7.760 11.803 2.695 684 2HB ARG 85 HB1 ARG 85 7.184 11.413 1.073 685 1HG ARG 85 HG2 ARG 85 4.939 12.068 1.619 686 2HG ARG 85 HG1 ARG 85 5.328 12.188 3.335 687 1HD ARG 85 HD2 ARG 85 7.154 13.847 1.870 688 2HD ARG 85 HD1 ARG 85 5.511 14.230 1.358 689 HE ARG 85 HE ARG 85 5.361 14.117 4.132 690 1HH1 ARG 85 HH21 ARG 85 7.274 15.874 1.799 691 2HH1 ARG 85 HH22 ARG 85 7.473 17.238 2.840 692 1HH2 ARG 85 HH11 ARG 85 5.643 15.904 5.453 693 2HH2 ARG 85 HH12 ARG 85 6.563 17.259 4.888 694 H PHE 86 HN PHE 86 5.849 9.522 0.197 695 HA PHE 86 HA PHE 86 3.051 9.846 0.379 696 1HB PHE 86 HB2 PHE 86 4.936 8.833 -1.558 697 2HB PHE 86 HB1 PHE 86 3.508 7.795 -1.513 698 HD1 PHE 86 HD1 PHE 86 4.207 11.479 -1.223 699 HD2 PHE 86 HD2 PHE 86 1.845 8.379 -3.027 700 HE1 PHE 86 HE1 PHE 86 2.915 13.188 -2.471 701 HE2 PHE 86 HE2 PHE 86 0.555 10.091 -4.276 702 HZ PHE 86 HZ PHE 86 1.090 12.495 -3.998 703 H LEU 87 HN LEU 87 5.073 7.081 1.203 704 HA LEU 87 HA LEU 87 2.927 5.179 1.409 705 1HB LEU 87 HB2 LEU 87 5.397 4.616 1.310 706 2HB LEU 87 HB1 LEU 87 5.536 5.191 2.967 707 HG LEU 87 HG LEU 87 5.249 2.658 2.627 708 1HD1 LEU 87 HD13 LEU 87 4.752 4.122 4.742 709 2HD1 LEU 87 HD12 LEU 87 3.069 3.757 4.368 710 3HD1 LEU 87 HD11 LEU 87 4.200 2.448 4.693 711 1HD2 LEU 87 HD22 LEU 87 3.296 3.155 0.950 712 2HD2 LEU 87 HD21 LEU 87 3.171 1.774 2.040 713 3HD2 LEU 87 HD23 LEU 87 2.315 3.270 2.412 714 H LYS 88 HN LYS 88 4.541 7.275 3.801 715 HA LYS 88 HA LYS 88 3.152 6.473 6.108 716 1HB LYS 88 HB2 LYS 88 4.903 8.542 5.415 717 2HB LYS 88 HB1 LYS 88 3.459 9.364 6.004 718 1HG LYS 88 HG2 LYS 88 3.575 7.593 7.939 719 2HG LYS 88 HG1 LYS 88 5.263 7.446 7.448 720 1HD LYS 88 HD2 LYS 88 4.785 10.203 7.509 721 2HD LYS 88 HD1 LYS 88 3.969 9.577 8.942 722 1HE LYS 88 HE2 LYS 88 6.021 9.633 9.906 723 2HE LYS 88 HE1 LYS 88 6.340 8.174 8.967 724 1HZ LYS 88 HZ3 LYS 88 6.766 10.869 7.830 725 2HZ LYS 88 HZ2 LYS 88 7.970 10.091 8.742 726 3HZ LYS 88 HZ1 LYS 88 7.401 9.387 7.305 727 NH1 ARG 89 NH2 ARG 89 -0.203 13.522 -0.276 728 NH2 ARG 89 NH1 ARG 89 1.371 14.283 1.154 729 H ARG 89 HN ARG 89 2.166 8.848 3.638 730 HA ARG 89 HA ARG 89 -0.244 9.681 4.919 731 1HB ARG 89 HB2 ARG 89 0.836 10.776 2.919 732 2HB ARG 89 HB1 ARG 89 0.223 9.446 1.936 733 1HG ARG 89 HG2 ARG 89 -2.065 10.007 2.482 734 2HG ARG 89 HG1 ARG 89 -1.538 11.212 3.658 735 1HD ARG 89 HD2 ARG 89 -1.129 11.306 0.657 736 2HD ARG 89 HD1 ARG 89 -2.161 12.366 1.618 737 HE ARG 89 HE ARG 89 0.348 12.705 2.733 738 1HH1 ARG 89 HH21 ARG 89 -0.979 12.931 -0.486 739 2HH1 ARG 89 HH22 ARG 89 0.153 14.137 -0.979 740 1HH2 ARG 89 HH11 ARG 89 1.805 14.272 2.056 741 2HH2 ARG 89 HH12 ARG 89 1.714 14.893 0.441 742 H LEU 90 HN LEU 90 0.280 7.190 2.426 743 HA LEU 90 HA LEU 90 -2.459 6.254 2.503 744 1HB LEU 90 HB2 LEU 90 -0.758 6.029 0.594 745 2HB LEU 90 HB1 LEU 90 -0.071 4.691 1.513 746 HG LEU 90 HG LEU 90 -2.724 4.057 1.581 747 1HD1 LEU 90 HD13 LEU 90 -2.791 6.108 -0.168 748 2HD1 LEU 90 HD12 LEU 90 -2.406 4.799 -1.284 749 3HD1 LEU 90 HD11 LEU 90 -3.867 4.717 -0.301 750 1HD2 LEU 90 HD23 LEU 90 -0.815 2.585 0.977 751 2HD2 LEU 90 HD22 LEU 90 -2.171 2.388 -0.132 752 3HD2 LEU 90 HD21 LEU 90 -0.764 3.333 -0.619 753 H ASP 91 HN ASP 91 0.057 5.847 4.737 754 HA ASP 91 HA ASP 91 -0.532 3.075 5.438 755 1HB ASP 91 HB2 ASP 91 1.659 3.622 5.998 756 2HB ASP 91 HB1 ASP 91 1.223 5.242 6.543 757 NH1 ARG 92 NH2 ARG 92 -4.849 8.889 12.669 758 NH2 ARG 92 NH1 ARG 92 -3.807 10.758 11.947 759 H ARG 92 HN ARG 92 -1.257 6.275 6.850 760 HA ARG 92 HA ARG 92 -2.936 4.986 8.905 761 1HB ARG 92 HB2 ARG 92 -1.680 7.604 8.514 762 2HB ARG 92 HB1 ARG 92 -3.337 7.723 9.105 763 1HG ARG 92 HG2 ARG 92 -1.970 5.607 10.510 764 2HG ARG 92 HG1 ARG 92 -1.018 7.089 10.603 765 1HD ARG 92 HD2 ARG 92 -3.975 6.911 11.245 766 2HD ARG 92 HD1 ARG 92 -2.688 6.900 12.452 767 HE ARG 92 HE ARG 92 -2.197 9.189 10.964 768 1HH1 ARG 92 HH21 ARG 92 -4.909 7.896 12.739 769 2HH1 ARG 92 HH22 ARG 92 -5.547 9.459 13.103 770 1HH2 ARG 92 HH11 ARG 92 -3.058 11.200 11.454 771 2HH2 ARG 92 HH12 ARG 92 -4.514 11.312 12.385 772 H ASN 93 HN ASN 93 -3.318 6.645 5.845 773 HA ASN 93 HA ASN 93 -6.166 7.160 6.273 774 1HB ASN 93 HB2 ASN 93 -4.167 7.937 4.371 775 2HB ASN 93 HB1 ASN 93 -5.536 7.243 3.503 776 1HD2 ASN 93 HD22 ASN 93 -7.014 10.455 3.784 777 2HD2 ASN 93 HD21 ASN 93 -6.351 9.298 2.734 778 H LEU 94 HN LEU 94 -4.241 4.808 4.402 779 HA LEU 94 HA LEU 94 -6.316 3.520 3.031 780 1HB LEU 94 HB2 LEU 94 -3.888 3.033 2.775 781 2HB LEU 94 HB1 LEU 94 -3.929 2.157 4.302 782 HG LEU 94 HG LEU 94 -5.872 0.819 3.224 783 1HD1 LEU 94 HD11 LEU 94 -4.639 2.238 0.862 784 2HD1 LEU 94 HD13 LEU 94 -5.447 0.681 0.677 785 3HD1 LEU 94 HD12 LEU 94 -6.347 2.075 1.273 786 1HD2 LEU 94 HD21 LEU 94 -2.945 0.634 2.564 787 2HD2 LEU 94 HD23 LEU 94 -3.914 -0.400 3.614 788 3HD2 LEU 94 HD22 LEU 94 -4.073 -0.526 1.863 789 CH2 TRP 95 CH2 TRP 95 -6.047 -0.332 13.124 790 H TRP 95 HN TRP 95 -4.966 2.295 6.130 791 HA TRP 95 HA TRP 95 -7.417 0.712 6.520 792 1HB TRP 95 HB2 TRP 95 -6.130 -0.594 7.822 793 2HB TRP 95 HB1 TRP 95 -4.779 0.330 7.173 794 HD1 TRP 95 HD1 TRP 95 -4.354 2.736 8.628 795 HE1 TRP 95 HE1 TRP 95 -4.208 2.967 11.195 796 HE3 TRP 95 HE3 TRP 95 -6.758 -1.534 10.014 797 HZ2 TRP 95 HZ2 TRP 95 -5.007 1.510 13.530 798 HZ3 TRP 95 HZ3 TRP 95 -7.048 -2.095 12.403 799 HH2 TRP 95 HH2 TRP 95 -6.178 -0.584 14.166 800 H GLY 96 HN GLY 96 -6.171 3.752 7.613 801 1HA GLY 96 HA2 GLY 96 -7.441 4.029 10.119 802 2HA GLY 96 HA1 GLY 96 -7.181 5.369 9.003 803 H LEU 97 HN LEU 97 -8.789 4.094 6.874 804 HA LEU 97 HA LEU 97 -11.422 5.005 7.817 805 1HB LEU 97 HB2 LEU 97 -10.522 5.575 5.536 806 2HB LEU 97 HB1 LEU 97 -10.648 3.869 5.112 807 HG LEU 97 HG LEU 97 -13.102 4.956 6.306 808 1HD1 LEU 97 HD11 LEU 97 -12.288 6.953 5.048 809 2HD1 LEU 97 HD13 LEU 97 -12.201 5.966 3.589 810 3HD1 LEU 97 HD12 LEU 97 -13.760 6.274 4.353 811 1HD2 LEU 97 HD22 LEU 97 -12.427 3.477 3.742 812 2HD2 LEU 97 HD21 LEU 97 -12.993 2.753 5.248 813 3HD2 LEU 97 HD23 LEU 97 -14.066 3.795 4.312 814 H ALA 98 HN ALA 98 -9.787 2.001 7.011 815 HA ALA 98 HA ALA 98 -11.949 0.236 6.720 816 1HB ALA 98 HB1 ALA 98 -9.341 -0.161 6.684 817 2HB ALA 98 HB3 ALA 98 -9.582 -0.572 8.381 818 3HB ALA 98 HB2 ALA 98 -10.422 -1.482 7.126 819 H GLY 99 HN GLY 99 -10.317 1.188 9.753 820 1HA GLY 99 HA2 GLY 99 -11.298 1.463 11.893 821 2HA GLY 99 HA1 GLY 99 -12.852 0.994 11.205 822 H LEU 100 HN LEU 100 -9.710 -0.349 12.205 823 HA LEU 100 HA LEU 100 -11.116 -2.686 13.319 824 1HB LEU 100 HB2 LEU 100 -9.733 -2.764 10.769 825 2HB LEU 100 HB1 LEU 100 -8.962 -3.845 11.927 826 HG LEU 100 HG LEU 100 -11.768 -4.175 12.241 827 1HD1 LEU 100 HD12 LEU 100 -10.862 -3.781 9.425 828 2HD1 LEU 100 HD11 LEU 100 -11.976 -5.110 9.743 829 3HD1 LEU 100 HD13 LEU 100 -12.436 -3.457 10.154 830 1HD2 LEU 100 HD21 LEU 100 -9.383 -5.737 11.419 831 2HD2 LEU 100 HD23 LEU 100 -10.609 -6.111 12.630 832 3HD2 LEU 100 HD22 LEU 100 -10.939 -6.402 10.923 833 H ASN 101 HN ASN 101 -8.931 -4.285 13.876 834 HA ASN 101 HA ASN 101 -7.277 -2.465 15.577 835 1HB ASN 101 HB2 ASN 101 -7.767 -5.426 16.001 836 2HB ASN 101 HB1 ASN 101 -7.063 -4.280 17.144 837 1HD2 ASN 101 HD22 ASN 101 -10.195 -3.315 18.413 838 2HD2 ASN 101 HD21 ASN 101 -8.510 -3.358 18.609 839 H SER 102 HN SER 102 -5.312 -4.494 16.201 840 HA SER 102 HA SER 102 -3.410 -4.081 14.177 841 1HB SER 102 HB2 SER 102 -2.161 -5.958 15.186 842 2HB SER 102 HB1 SER 102 -2.829 -4.900 16.426 843 HG SER 102 HG SER 102 -3.819 -6.599 17.141 844 H CYS 103 HN CYS 103 -2.370 -6.033 12.912 845 HA CYS 103 HA CYS 103 -4.420 -7.894 11.860 846 1HB CYS 103 HB2 CYS 103 -3.160 -5.641 10.337 847 2HB CYS 103 HB1 CYS 103 -3.488 -7.153 9.493 848 HA PRO 104 HA PRO 104 -0.179 -9.652 12.533 849 1HB PRO 104 HB2 PRO 104 -1.590 -12.107 13.127 850 2HB PRO 104 HB1 PRO 104 -0.610 -11.114 14.216 851 1HG PRO 104 HG2 PRO 104 -3.473 -11.369 14.193 852 2HG PRO 104 HG1 PRO 104 -2.492 -10.332 15.236 853 1HD PRO 104 HD2 PRO 104 -4.190 -9.533 13.046 854 2HD PRO 104 HD1 PRO 104 -3.206 -8.494 14.096 855 H VAL 105 HN VAL 105 0.097 -9.532 10.203 856 HA VAL 105 HA VAL 105 -1.308 -11.294 8.398 857 HB VAL 105 HB VAL 105 0.844 -9.307 8.242 858 1HG1 VAL 105 HG11 VAL 105 0.937 -11.773 6.481 859 2HG1 VAL 105 HG13 VAL 105 1.743 -10.256 6.088 860 3HG1 VAL 105 HG12 VAL 105 2.223 -11.159 7.522 861 1HG2 VAL 105 HG23 VAL 105 -1.693 -9.737 7.196 862 2HG2 VAL 105 HG22 VAL 105 -0.571 -8.477 6.683 863 3HG2 VAL 105 HG21 VAL 105 -0.634 -10.011 5.815 864 H LYS 106 HN LYS 106 -0.877 -13.406 7.917 865 HA LYS 106 HA LYS 106 1.809 -14.510 8.465 866 1HB LYS 106 HB2 LYS 106 -0.400 -14.886 10.252 867 2HB LYS 106 HB1 LYS 106 -0.039 -16.428 9.474 868 1HG LYS 106 HG2 LYS 106 2.057 -16.570 10.410 869 2HG LYS 106 HG1 LYS 106 2.282 -14.821 10.427 870 1HD LYS 106 HD2 LYS 106 2.035 -15.610 12.721 871 2HD LYS 106 HD1 LYS 106 0.611 -14.666 12.279 872 1HE LYS 106 HE2 LYS 106 -0.056 -16.736 13.430 873 2HE LYS 106 HE1 LYS 106 -0.603 -16.758 11.754 874 1HZ LYS 106 HZ1 LYS 106 1.958 -17.965 12.620 875 2HZ LYS 106 HZ3 LYS 106 0.505 -18.839 12.576 876 3HZ LYS 106 HZ2 LYS 106 1.146 -18.184 11.144 877 H GLU 107 HN GLU 107 -1.516 -15.583 7.669 878 HA GLU 107 HA GLU 107 -0.762 -17.721 5.959 879 1HB GLU 107 HB2 GLU 107 -3.061 -17.303 4.898 880 2HB GLU 107 HB1 GLU 107 -3.050 -17.602 6.634 881 1HG GLU 107 HG2 GLU 107 -3.553 -15.405 7.160 882 2HG GLU 107 HG1 GLU 107 -2.807 -14.771 5.695 883 H ALA 108 HN ALA 108 0.958 -17.054 4.574 884 HA ALA 108 HA ALA 108 0.162 -15.925 2.063 885 1HB ALA 108 HB2 ALA 108 0.160 -13.853 3.487 886 2HB ALA 108 HB1 ALA 108 1.878 -14.114 3.782 887 3HB ALA 108 HB3 ALA 108 1.305 -13.787 2.149 888 H ASP 109 HN ASP 109 1.651 -16.541 0.549 889 HA ASP 109 HA ASP 109 4.117 -17.855 1.504 890 1HB ASP 109 HB2 ASP 109 2.545 -17.809 -1.035 891 2HB ASP 109 HB1 ASP 109 4.278 -18.108 -1.167 892 H GLN 110 HN GLN 110 6.230 -17.232 0.556 893 HA GLN 110 HA GLN 110 6.622 -14.385 0.605 894 1HB GLN 110 HB2 GLN 110 8.279 -16.562 0.840 895 2HB GLN 110 HB1 GLN 110 8.710 -15.956 -0.759 896 1HG GLN 110 HG2 GLN 110 10.130 -14.750 0.684 897 2HG GLN 110 HG1 GLN 110 8.803 -13.627 0.379 898 1HE2 GLN 110 HE22 GLN 110 8.018 -13.400 3.792 899 2HE2 GLN 110 HE21 GLN 110 7.985 -12.693 2.250 900 H SER 111 HN SER 111 5.308 -13.460 -1.022 901 HA SER 111 HA SER 111 5.752 -14.293 -3.824 902 1HB SER 111 HB2 SER 111 3.978 -12.676 -4.343 903 2HB SER 111 HB1 SER 111 3.464 -13.740 -3.040 904 HG SER 111 HG SER 111 3.017 -11.651 -2.426 905 H THR 112 HN THR 112 5.596 -11.838 -5.119 906 HA THR 112 HA THR 112 8.142 -10.555 -4.221 907 HB THR 112 HB THR 112 8.500 -9.948 -6.568 908 HG1 THR 112 HG1 THR 112 6.985 -10.251 -8.045 909 1HG2 THR 112 HG21 THR 112 8.120 -12.724 -5.656 910 2HG2 THR 112 HG23 THR 112 8.140 -12.536 -7.410 911 3HG2 THR 112 HG22 THR 112 9.510 -11.980 -6.447 912 H LEU 113 HN LEU 113 8.061 -8.419 -3.694 913 HA LEU 113 HA LEU 113 5.676 -7.037 -3.209 914 1HB LEU 113 HB2 LEU 113 7.998 -6.415 -2.409 915 2HB LEU 113 HB1 LEU 113 8.270 -5.702 -3.997 916 HG LEU 113 HG LEU 113 6.312 -4.223 -3.664 917 1HD1 LEU 113 HD13 LEU 113 5.869 -6.051 -1.459 918 2HD1 LEU 113 HD12 LEU 113 5.912 -4.386 -0.883 919 3HD1 LEU 113 HD11 LEU 113 4.772 -4.854 -2.144 920 1HD2 LEU 113 HD21 LEU 113 8.821 -4.007 -2.500 921 2HD2 LEU 113 HD23 LEU 113 7.637 -2.705 -2.618 922 3HD2 LEU 113 HD22 LEU 113 7.732 -3.681 -1.152 923 H GLU 114 HN GLU 114 7.407 -7.393 -6.234 924 HA GLU 114 HA GLU 114 6.327 -5.206 -7.673 925 1HB GLU 114 HB2 GLU 114 7.979 -7.262 -8.314 926 2HB GLU 114 HB1 GLU 114 6.499 -7.800 -9.108 927 1HG GLU 114 HG2 GLU 114 6.419 -5.297 -9.960 928 2HG GLU 114 HG1 GLU 114 8.153 -5.357 -9.638 929 H ASN 115 HN ASN 115 5.068 -8.538 -7.401 930 HA ASN 115 HA ASN 115 2.583 -7.924 -8.732 931 1HB ASN 115 HB2 ASN 115 3.748 -10.241 -8.256 932 2HB ASN 115 HB1 ASN 115 2.818 -10.173 -6.759 933 1HD2 ASN 115 HD22 ASN 115 0.674 -10.210 -10.281 934 2HD2 ASN 115 HD21 ASN 115 2.171 -9.412 -10.240 935 H PHE 116 HN PHE 116 3.703 -7.491 -5.463 936 HA PHE 116 HA PHE 116 1.156 -7.513 -4.142 937 1HB PHE 116 HB2 PHE 116 3.445 -7.528 -3.031 938 2HB PHE 116 HB1 PHE 116 3.547 -5.806 -3.396 939 HD1 PHE 116 HD1 PHE 116 1.533 -8.374 -1.611 940 HD2 PHE 116 HD2 PHE 116 2.389 -4.192 -2.085 941 HE1 PHE 116 HE1 PHE 116 0.171 -7.869 0.398 942 HE2 PHE 116 HE2 PHE 116 1.026 -3.686 -0.075 943 HZ PHE 116 HZ PHE 116 -0.084 -5.524 1.166 944 H LEU 117 HN LEU 117 3.136 -4.641 -4.958 945 HA LEU 117 HA LEU 117 1.071 -2.746 -4.655 946 1HB LEU 117 HB2 LEU 117 3.728 -2.827 -5.885 947 2HB LEU 117 HB1 LEU 117 2.626 -1.730 -6.718 948 HG LEU 117 HG LEU 117 2.625 -1.633 -3.742 949 1HD1 LEU 117 HD13 LEU 117 5.002 -1.153 -5.419 950 2HD1 LEU 117 HD12 LEU 117 4.579 0.193 -4.361 951 3HD1 LEU 117 HD11 LEU 117 4.886 -1.402 -3.676 952 1HD2 LEU 117 HD21 LEU 117 1.340 -0.215 -5.604 953 2HD2 LEU 117 HD23 LEU 117 1.886 0.533 -4.104 954 3HD2 LEU 117 HD22 LEU 117 2.834 0.721 -5.578 955 H GLU 118 HN GLU 118 1.791 -4.930 -7.313 956 HA GLU 118 HA GLU 118 0.299 -3.669 -9.368 957 1HB GLU 118 HB2 GLU 118 1.743 -5.631 -9.754 958 2HB GLU 118 HB1 GLU 118 0.625 -6.635 -8.831 959 1HG GLU 118 HG2 GLU 118 -0.534 -6.993 -10.726 960 2HG GLU 118 HG1 GLU 118 -0.949 -5.278 -10.746 961 NH1 ARG 119 NH2 ARG 119 -4.365 -11.948 -8.117 962 NH2 ARG 119 NH1 ARG 119 -5.174 -10.822 -9.899 963 H ARG 119 HN ARG 119 -0.843 -6.387 -7.340 964 HA ARG 119 HA ARG 119 -3.591 -6.098 -8.065 965 1HB ARG 119 HB2 ARG 119 -2.627 -7.161 -5.399 966 2HB ARG 119 HB1 ARG 119 -4.073 -7.624 -6.295 967 1HG ARG 119 HG2 ARG 119 -2.023 -8.101 -8.105 968 2HG ARG 119 HG1 ARG 119 -1.331 -8.605 -6.562 969 1HD ARG 119 HD2 ARG 119 -2.426 -10.556 -7.121 970 2HD ARG 119 HD1 ARG 119 -3.738 -9.732 -6.281 971 HE ARG 119 HE ARG 119 -4.002 -8.905 -8.915 972 1HH1 ARG 119 HH21 ARG 119 -3.837 -11.977 -7.269 973 2HH1 ARG 119 HH22 ARG 119 -4.814 -12.777 -8.448 974 1HH2 ARG 119 HH11 ARG 119 -5.267 -9.976 -10.424 975 2HH2 ARG 119 HH12 ARG 119 -5.616 -11.660 -10.219 976 H LEU 120 HN LEU 120 -1.643 -4.180 -5.922 977 HA LEU 120 HA LEU 120 -3.831 -3.306 -4.230 978 1HB LEU 120 HB2 LEU 120 -0.998 -2.790 -4.471 979 2HB LEU 120 HB1 LEU 120 -1.873 -1.265 -4.341 980 HG LEU 120 HG LEU 120 -3.092 -2.965 -2.461 981 1HD1 LEU 120 HD12 LEU 120 -0.732 -4.176 -2.966 982 2HD1 LEU 120 HD11 LEU 120 -0.203 -3.003 -1.760 983 3HD1 LEU 120 HD13 LEU 120 -1.474 -4.162 -1.366 984 1HD2 LEU 120 HD22 LEU 120 -1.065 -0.726 -2.252 985 2HD2 LEU 120 HD21 LEU 120 -2.816 -0.613 -2.090 986 3HD2 LEU 120 HD23 LEU 120 -1.866 -1.421 -0.843 987 H LYS 121 HN LYS 121 -2.276 -2.041 -7.158 988 HA LYS 121 HA LYS 121 -3.958 0.317 -7.314 989 1HB LYS 121 HB2 LYS 121 -1.707 0.109 -8.412 990 2HB LYS 121 HB1 LYS 121 -2.409 -1.064 -9.527 991 1HG LYS 121 HG2 LYS 121 -3.820 1.547 -9.214 992 2HG LYS 121 HG1 LYS 121 -2.307 1.540 -10.123 993 1HD LYS 121 HD2 LYS 121 -3.605 -0.696 -11.097 994 2HD LYS 121 HD1 LYS 121 -4.927 0.446 -10.860 995 1HE LYS 121 HE2 LYS 121 -2.420 1.440 -12.152 996 2HE LYS 121 HE1 LYS 121 -3.514 0.444 -13.112 997 1HZ LYS 121 HZ3 LYS 121 -5.258 2.087 -12.016 998 2HZ LYS 121 HZ2 LYS 121 -3.906 3.117 -12.020 999 3HZ LYS 121 HZ1 LYS 121 -4.469 2.442 -13.474 1000 H THR 122 HN THR 122 -3.798 -2.641 -9.265 1001 HA THR 122 HA THR 122 -6.068 -2.318 -10.845 1002 HB THR 122 HB THR 122 -6.157 -5.021 -10.167 1003 HG1 THR 122 HG1 THR 122 -3.472 -4.660 -10.409 1004 1HG2 THR 122 HG22 THR 122 -6.073 -4.031 -12.434 1005 2HG2 THR 122 HG21 THR 122 -4.373 -3.631 -12.185 1006 3HG2 THR 122 HG23 THR 122 -4.881 -5.318 -12.249 1007 H ILE 123 HN ILE 123 -5.947 -3.782 -7.618 1008 HA ILE 123 HA ILE 123 -8.744 -4.310 -7.405 1009 HB ILE 123 HB ILE 123 -6.618 -3.834 -5.308 1010 1HG1 ILE 123 HG12 ILE 123 -6.461 -5.876 -6.773 1011 2HG1 ILE 123 HG11 ILE 123 -6.681 -6.250 -5.063 1012 1HG2 ILE 123 HG22 ILE 123 -9.559 -4.280 -5.071 1013 2HG2 ILE 123 HG21 ILE 123 -8.515 -5.150 -3.947 1014 3HG2 ILE 123 HG23 ILE 123 -8.468 -3.389 -4.009 1015 1HD1 ILE 123 HD11 ILE 123 -9.249 -5.921 -6.362 1016 2HD1 ILE 123 HD13 ILE 123 -8.282 -7.133 -7.202 1017 3HD1 ILE 123 HD12 ILE 123 -8.620 -7.312 -5.481 1018 H MET 124 HN MET 124 -6.833 -1.432 -6.622 1019 HA MET 124 HA MET 124 -9.004 -0.084 -5.276 1020 1HB MET 124 HB2 MET 124 -6.419 0.932 -6.461 1021 2HB MET 124 HB1 MET 124 -7.555 1.961 -5.587 1022 1HG MET 124 HG2 MET 124 -6.734 -0.597 -4.289 1023 2HG MET 124 HG1 MET 124 -5.554 0.710 -4.331 1024 1HE MET 124 HE3 MET 124 -5.291 2.288 -3.158 1025 2HE MET 124 HE2 MET 124 -6.542 3.500 -2.915 1026 3HE MET 124 HE1 MET 124 -6.001 2.518 -1.558 1027 NH1 ARG 125 NH2 ARG 125 -6.407 5.976 -13.421 1028 NH2 ARG 125 NH1 ARG 125 -8.215 6.441 -14.691 1029 H ARG 125 HN ARG 125 -7.461 0.941 -8.324 1030 HA ARG 125 HA ARG 125 -9.583 2.610 -9.139 1031 1HB ARG 125 HB2 ARG 125 -7.253 2.593 -10.070 1032 2HB ARG 125 HB1 ARG 125 -7.677 1.132 -10.965 1033 1HG ARG 125 HG2 ARG 125 -9.155 2.252 -12.368 1034 2HG ARG 125 HG1 ARG 125 -9.459 3.534 -11.195 1035 1HD ARG 125 HD2 ARG 125 -7.137 4.364 -11.546 1036 2HD ARG 125 HD1 ARG 125 -6.908 3.130 -12.784 1037 HE ARG 125 HE ARG 125 -9.188 4.469 -13.603 1038 1HH1 ARG 125 HH21 ARG 125 -5.941 5.414 -12.741 1039 2HH1 ARG 125 HH22 ARG 125 -5.939 6.764 -13.817 1040 1HH2 ARG 125 HH11 ARG 125 -9.146 6.231 -14.989 1041 2HH2 ARG 125 HH12 ARG 125 -7.733 7.228 -15.075 1042 H GLU 126 HN GLU 126 -9.361 -0.873 -9.417 1043 HA GLU 126 HA GLU 126 -11.427 -0.922 -11.522 1044 1HB GLU 126 HB2 GLU 126 -9.410 -2.523 -11.329 1045 2HB GLU 126 HB1 GLU 126 -10.361 -3.345 -10.092 1046 1HG GLU 126 HG2 GLU 126 -12.010 -2.783 -12.399 1047 2HG GLU 126 HG1 GLU 126 -10.565 -3.669 -12.887 1048 H LYS 127 HN LYS 127 -11.181 -2.100 -8.141 1049 HA LYS 127 HA LYS 127 -14.011 -2.867 -8.161 1050 1HB LYS 127 HB2 LYS 127 -11.734 -3.513 -6.616 1051 2HB LYS 127 HB1 LYS 127 -12.890 -2.768 -5.512 1052 1HG LYS 127 HG2 LYS 127 -14.466 -4.429 -5.818 1053 2HG LYS 127 HG1 LYS 127 -13.929 -4.781 -7.460 1054 1HD LYS 127 HD2 LYS 127 -12.409 -6.316 -6.761 1055 2HD LYS 127 HD1 LYS 127 -11.897 -5.320 -5.399 1056 1HE LYS 127 HE2 LYS 127 -13.036 -7.477 -4.740 1057 2HE LYS 127 HE1 LYS 127 -13.786 -6.026 -4.076 1058 1HZ LYS 127 HZ2 LYS 127 -14.699 -7.141 -6.647 1059 2HZ LYS 127 HZ1 LYS 127 -15.266 -7.788 -5.181 1060 3HZ LYS 127 HZ3 LYS 127 -15.541 -6.155 -5.549 1061 OH TYR 128 OH TYR 128 -10.259 -0.263 -1.326 1062 H TYR 128 HN TYR 128 -12.336 0.051 -7.480 1063 HA TYR 128 HA TYR 128 -14.399 0.989 -5.594 1064 1HB TYR 128 HB2 TYR 128 -11.882 2.261 -6.692 1065 2HB TYR 128 HB1 TYR 128 -13.012 3.117 -5.649 1066 HD1 TYR 128 HD1 TYR 128 -11.433 -0.316 -5.705 1067 HD2 TYR 128 HD2 TYR 128 -12.392 3.190 -3.411 1068 HE1 TYR 128 HE1 TYR 128 -10.422 -1.352 -3.710 1069 HE2 TYR 128 HE2 TYR 128 -11.367 2.143 -1.407 1070 HH TYR 128 HH TYR 128 -9.621 -0.913 -1.631 1071 H SER 129 HN SER 129 -14.647 0.516 -8.737 1072 HA SER 129 HA SER 129 -15.540 3.218 -9.522 1073 1HB SER 129 HB2 SER 129 -15.851 2.274 -11.727 1074 2HB SER 129 HB1 SER 129 -14.298 1.716 -11.109 1075 HG SER 129 HG SER 129 -15.088 -0.191 -11.511 1076 H LYS 130 HN LYS 130 -16.938 1.082 -7.558 1077 HA LYS 130 HA LYS 130 -19.579 1.019 -8.896 1078 1HB LYS 130 HB2 LYS 130 -20.253 -0.358 -6.929 1079 2HB LYS 130 HB1 LYS 130 -18.867 -1.034 -7.784 1080 1HG LYS 130 HG2 LYS 130 -17.363 -0.427 -6.107 1081 2HG LYS 130 HG1 LYS 130 -18.406 0.856 -5.496 1082 1HD LYS 130 HD2 LYS 130 -18.936 -0.656 -3.879 1083 2HD LYS 130 HD1 LYS 130 -19.998 -1.333 -5.115 1084 1HE LYS 130 HE2 LYS 130 -17.186 -2.230 -5.276 1085 2HE LYS 130 HE1 LYS 130 -18.049 -2.755 -3.831 1086 1HZ LYS 130 HZ2 LYS 130 -19.131 -3.053 -6.575 1087 2HZ LYS 130 HZ1 LYS 130 -18.249 -4.268 -5.781 1088 3HZ LYS 130 HZ3 LYS 130 -19.731 -3.746 -5.144 1089 H CYS 131 HN CYS 131 -18.155 3.487 -7.621 1090 HA CYS 131 HA CYS 131 -20.316 4.203 -5.692 1091 1HB CYS 131 HB2 CYS 131 -17.456 4.816 -5.879 1092 2HB CYS 131 HB1 CYS 131 -18.447 6.257 -5.649 1093 H SER 132 HN SER 132 -18.649 5.218 -8.639 1094 HA SER 132 HA SER 132 -20.665 7.387 -8.993 1095 1HB SER 132 HB2 SER 132 -17.985 7.560 -9.267 1096 2HB SER 132 HB1 SER 132 -18.407 7.070 -10.906 1097 HG SER 132 HG SER 132 -18.467 9.339 -10.655 1098 H SER 133 HN SER 133 -21.382 7.641 -11.366 1099 HA SER 133 HA SER 133 -21.733 4.935 -12.594 1100 1HB SER 133 HB2 SER 133 -23.778 6.124 -11.433 1101 2HB SER 133 HB1 SER 133 -23.799 7.091 -12.905 1102 HG SER 133 HG SER 133 -23.466 4.489 -13.495 Start of MODEL 21 Raw file had 1102 H/Q atoms Start of MODEL 21 1 1H GLU 1 HT3 GLU 1 -21.717 17.888 10.253 2 2H GLU 1 HT2 GLU 1 -20.301 18.002 9.323 3 3H GLU 1 HT1 GLU 1 -21.760 18.640 8.733 4 HA GLU 1 HA GLU 1 -22.625 16.610 8.193 5 1HB GLU 1 HB2 GLU 1 -19.770 16.938 7.674 6 2HB GLU 1 HB1 GLU 1 -20.249 15.239 7.697 7 1HG GLU 1 HG2 GLU 1 -20.493 16.196 5.433 8 2HG GLU 1 HG1 GLU 1 -22.059 15.723 6.094 9 H ALA 2 HN ALA 2 -23.376 14.739 9.096 10 HA ALA 2 HA ALA 2 -21.868 13.666 11.446 11 1HB ALA 2 HB1 ALA 2 -24.163 14.626 11.882 12 2HB ALA 2 HB3 ALA 2 -24.825 13.353 10.856 13 3HB ALA 2 HB2 ALA 2 -23.988 12.935 12.351 14 H GLU 3 HN GLU 3 -23.930 12.683 8.696 15 HA GLU 3 HA GLU 3 -23.178 9.874 9.018 16 1HB GLU 3 HB2 GLU 3 -24.693 11.336 6.838 17 2HB GLU 3 HB1 GLU 3 -24.465 9.588 6.885 18 1HG GLU 3 HG2 GLU 3 -25.385 10.108 9.424 19 2HG GLU 3 HG1 GLU 3 -26.282 11.282 8.462 20 H ALA 4 HN ALA 4 -22.154 8.670 7.189 21 HA ALA 4 HA ALA 4 -20.628 10.064 5.175 22 1HB ALA 4 HB1 ALA 4 -19.362 9.488 7.806 23 2HB ALA 4 HB3 ALA 4 -18.413 9.085 6.374 24 3HB ALA 4 HB2 ALA 4 -18.976 10.737 6.623 25 H HIS 5 HN HIS 5 -20.236 8.582 3.577 26 HA HIS 5 HA HIS 5 -20.806 5.749 4.170 27 1HB HIS 5 HB2 HIS 5 -21.337 7.361 1.993 28 2HB HIS 5 HB1 HIS 5 -19.951 6.419 1.440 29 HD1 HIS 5 HD1 HIS 5 -21.234 4.813 -0.091 30 HD2 HIS 5 HD2 HIS 5 -22.712 4.871 3.806 31 HE1 HIS 5 HE1 HIS 5 -22.868 2.885 0.085 32 H LYS 6 HN LYS 6 -19.214 4.426 2.366 33 HA LYS 6 HA LYS 6 -16.512 4.810 3.568 34 1HB LYS 6 HB2 LYS 6 -17.272 2.383 1.976 35 2HB LYS 6 HB1 LYS 6 -16.157 2.519 3.333 36 1HG LYS 6 HG2 LYS 6 -17.852 1.638 4.556 37 2HG LYS 6 HG1 LYS 6 -18.542 3.258 4.491 38 1HD LYS 6 HD2 LYS 6 -20.049 2.695 2.806 39 2HD LYS 6 HD1 LYS 6 -19.049 1.368 2.216 40 1HE LYS 6 HE2 LYS 6 -20.093 -0.107 3.558 41 2HE LYS 6 HE1 LYS 6 -19.837 0.917 4.970 42 1HZ LYS 6 HZ3 LYS 6 -21.755 2.248 4.272 43 2HZ LYS 6 HZ2 LYS 6 -22.017 1.187 2.971 44 3HZ LYS 6 HZ1 LYS 6 -22.181 0.633 4.568 45 H CYS 7 HN CYS 7 -16.948 6.644 1.636 46 HA CYS 7 HA CYS 7 -14.966 6.012 -0.354 47 1HB CYS 7 HB2 CYS 7 -16.960 4.693 -1.190 48 2HB CYS 7 HB1 CYS 7 -17.821 6.219 -1.368 49 H ASP 8 HN ASP 8 -15.478 8.117 1.510 50 HA ASP 8 HA ASP 8 -16.538 10.416 0.059 51 1HB ASP 8 HB2 ASP 8 -14.729 10.590 2.467 52 2HB ASP 8 HB1 ASP 8 -16.054 11.658 2.005 53 H ILE 9 HN ILE 9 -14.518 12.338 0.689 54 HA ILE 9 HA ILE 9 -12.834 12.118 -1.602 55 HB ILE 9 HB ILE 9 -13.464 14.084 0.248 56 1HG1 ILE 9 HG12 ILE 9 -11.279 15.036 -1.282 57 2HG1 ILE 9 HG11 ILE 9 -12.078 13.817 -2.274 58 1HG2 ILE 9 HG22 ILE 9 -11.596 13.196 1.681 59 2HG2 ILE 9 HG21 ILE 9 -10.475 13.603 0.379 60 3HG2 ILE 9 HG23 ILE 9 -11.387 14.876 1.190 61 1HD1 ILE 9 HD13 ILE 9 -13.849 15.735 -0.847 62 2HD1 ILE 9 HD12 ILE 9 -12.903 16.383 -2.188 63 3HD1 ILE 9 HD11 ILE 9 -14.012 15.039 -2.458 64 H THR 10 HN THR 10 -12.543 10.765 1.568 65 HA THR 10 HA THR 10 -9.701 10.581 1.768 66 HB THR 10 HB THR 10 -11.713 8.564 2.808 67 HG1 THR 10 HG1 THR 10 -11.120 10.205 4.696 68 1HG2 THR 10 HG22 THR 10 -8.922 9.404 3.668 69 2HG2 THR 10 HG21 THR 10 -9.978 8.371 4.632 70 3HG2 THR 10 HG23 THR 10 -9.413 7.825 3.053 71 H LEU 11 HN LEU 11 -12.071 8.434 0.192 72 HA LEU 11 HA LEU 11 -10.056 6.428 -0.423 73 1HB LEU 11 HB2 LEU 11 -12.828 6.480 -0.403 74 2HB LEU 11 HB1 LEU 11 -12.437 6.380 -2.120 75 HG LEU 11 HG LEU 11 -10.884 4.472 -1.585 76 1HD1 LEU 11 HD11 LEU 11 -12.154 4.808 1.147 77 2HD1 LEU 11 HD13 LEU 11 -11.298 3.353 0.642 78 3HD1 LEU 11 HD12 LEU 11 -10.437 4.886 0.754 79 1HD2 LEU 11 HD21 LEU 11 -13.780 4.132 -0.745 80 2HD2 LEU 11 HD23 LEU 11 -13.170 4.044 -2.397 81 3HD2 LEU 11 HD22 LEU 11 -12.697 2.823 -1.215 82 H GLN 12 HN GLN 12 -11.557 9.102 -2.236 83 HA GLN 12 HA GLN 12 -10.407 8.458 -4.776 84 1HB GLN 12 HB2 GLN 12 -11.073 11.181 -3.612 85 2HB GLN 12 HB1 GLN 12 -10.778 10.846 -5.319 86 1HG GLN 12 HG2 GLN 12 -12.881 9.316 -3.798 87 2HG GLN 12 HG1 GLN 12 -13.243 10.900 -4.485 88 1HE2 GLN 12 HE22 GLN 12 -13.327 7.734 -6.905 89 2HE2 GLN 12 HE21 GLN 12 -13.369 7.632 -5.211 90 H GLU 13 HN GLU 13 -9.181 10.379 -2.051 91 HA GLU 13 HA GLU 13 -6.734 11.169 -3.357 92 1HB GLU 13 HB2 GLU 13 -7.216 10.801 -0.380 93 2HB GLU 13 HB1 GLU 13 -5.965 11.791 -1.134 94 1HG GLU 13 HG2 GLU 13 -8.544 12.526 -2.189 95 2HG GLU 13 HG1 GLU 13 -8.584 12.588 -0.426 96 H ILE 14 HN ILE 14 -7.690 8.469 -1.281 97 HA ILE 14 HA ILE 14 -5.148 7.204 -1.017 98 HB ILE 14 HB ILE 14 -7.889 6.627 -0.402 99 1HG1 ILE 14 HG12 ILE 14 -5.530 4.918 0.370 100 2HG1 ILE 14 HG11 ILE 14 -5.706 6.557 1.000 101 1HG2 ILE 14 HG23 ILE 14 -7.863 5.121 -2.368 102 2HG2 ILE 14 HG22 ILE 14 -6.423 4.322 -1.729 103 3HG2 ILE 14 HG21 ILE 14 -7.955 4.206 -0.865 104 1HD1 ILE 14 HD12 ILE 14 -8.202 5.057 1.158 105 2HD1 ILE 14 HD11 ILE 14 -6.899 4.264 2.045 106 3HD1 ILE 14 HD13 ILE 14 -7.339 5.929 2.425 107 H ILE 15 HN ILE 15 -7.308 7.486 -3.729 108 HA ILE 15 HA ILE 15 -6.259 5.174 -5.163 109 HB ILE 15 HB ILE 15 -8.088 7.468 -5.838 110 1HG1 ILE 15 HG12 ILE 15 -8.411 4.461 -5.993 111 2HG1 ILE 15 HG11 ILE 15 -8.926 5.449 -4.628 112 1HG2 ILE 15 HG21 ILE 15 -6.825 5.487 -7.735 113 2HG2 ILE 15 HG23 ILE 15 -8.306 6.366 -8.110 114 3HG2 ILE 15 HG22 ILE 15 -6.801 7.246 -7.845 115 1HD1 ILE 15 HD12 ILE 15 -10.218 6.828 -6.423 116 2HD1 ILE 15 HD11 ILE 15 -10.015 5.397 -7.432 117 3HD1 ILE 15 HD13 ILE 15 -10.887 5.282 -5.904 118 H LYS 16 HN LYS 16 -5.822 8.709 -5.339 119 HA LYS 16 HA LYS 16 -3.959 8.609 -7.539 120 1HB LYS 16 HB2 LYS 16 -4.573 10.693 -5.437 121 2HB LYS 16 HB1 LYS 16 -3.379 10.959 -6.709 122 1HG LYS 16 HG2 LYS 16 -5.031 10.720 -8.431 123 2HG LYS 16 HG1 LYS 16 -6.228 10.111 -7.288 124 1HD LYS 16 HD2 LYS 16 -5.562 12.519 -6.150 125 2HD LYS 16 HD1 LYS 16 -5.435 12.892 -7.871 126 1HE LYS 16 HE2 LYS 16 -7.770 11.355 -7.640 127 2HE LYS 16 HE1 LYS 16 -7.817 12.455 -6.261 128 1HZ LYS 16 HZ2 LYS 16 -7.411 14.300 -7.776 129 2HZ LYS 16 HZ1 LYS 16 -7.402 13.232 -9.098 130 3HZ LYS 16 HZ3 LYS 16 -8.824 13.459 -8.204 131 H THR 17 HN THR 17 -3.605 8.201 -4.086 132 HA THR 17 HA THR 17 -0.689 8.578 -4.125 133 HB THR 17 HB THR 17 -1.787 7.140 -1.814 134 HG1 THR 17 HG1 THR 17 -3.430 8.361 -1.419 135 1HG2 THR 17 HG23 THR 17 0.263 8.916 -2.398 136 2HG2 THR 17 HG22 THR 17 -0.874 9.900 -1.485 137 3HG2 THR 17 HG21 THR 17 -0.229 8.419 -0.779 138 H LEU 18 HN LEU 18 -2.965 5.845 -3.882 139 HA LEU 18 HA LEU 18 -1.035 3.768 -3.684 140 1HB LEU 18 HB2 LEU 18 -3.695 3.746 -3.642 141 2HB LEU 18 HB1 LEU 18 -3.471 3.321 -5.341 142 HG LEU 18 HG LEU 18 -1.591 1.756 -4.032 143 1HD1 LEU 18 HD13 LEU 18 -3.566 2.512 -2.118 144 2HD1 LEU 18 HD12 LEU 18 -3.829 0.815 -2.520 145 3HD1 LEU 18 HD11 LEU 18 -2.257 1.348 -1.926 146 1HD2 LEU 18 HD22 LEU 18 -3.582 1.398 -5.838 147 2HD2 LEU 18 HD21 LEU 18 -2.689 0.070 -5.102 148 3HD2 LEU 18 HD23 LEU 18 -4.255 0.544 -4.451 149 H ASN 19 HN ASN 19 -2.267 5.605 -6.416 150 HA ASN 19 HA ASN 19 -0.911 3.945 -8.407 151 1HB ASN 19 HB2 ASN 19 -3.051 5.332 -8.764 152 2HB ASN 19 HB1 ASN 19 -1.984 6.737 -8.836 153 1HD2 ASN 19 HD22 ASN 19 -2.476 4.810 -12.201 154 2HD2 ASN 19 HD21 ASN 19 -3.604 4.984 -10.944 155 H SER 20 HN SER 20 -0.190 6.817 -6.531 156 HA SER 20 HA SER 20 1.908 7.864 -8.160 157 1HB SER 20 HB2 SER 20 0.753 8.836 -6.006 158 2HB SER 20 HB1 SER 20 2.036 7.976 -5.157 159 HG SER 20 HG SER 20 3.191 9.192 -7.159 160 H LEU 21 HN LEU 21 1.812 5.235 -5.816 161 HA LEU 21 HA LEU 21 4.641 4.908 -5.489 162 1HB LEU 21 HB2 LEU 21 2.216 3.286 -4.989 163 2HB LEU 21 HB1 LEU 21 3.690 2.358 -5.238 164 HG LEU 21 HG LEU 21 3.261 4.545 -3.184 165 1HD1 LEU 21 HD13 LEU 21 3.223 1.566 -3.198 166 2HD1 LEU 21 HD12 LEU 21 3.992 2.343 -1.814 167 3HD1 LEU 21 HD11 LEU 21 2.307 2.696 -2.199 168 1HD2 LEU 21 HD21 LEU 21 5.693 3.406 -4.352 169 2HD2 LEU 21 HD23 LEU 21 5.513 4.798 -3.284 170 3HD2 LEU 21 HD22 LEU 21 5.621 3.174 -2.605 171 H THR 22 HN THR 22 2.489 3.958 -8.080 172 HA THR 22 HA THR 22 4.083 1.869 -9.194 173 HB THR 22 HB THR 22 2.788 2.195 -11.239 174 HG1 THR 22 HG1 THR 22 1.448 3.979 -11.428 175 1HG2 THR 22 HG21 THR 22 1.378 2.392 -8.592 176 2HG2 THR 22 HG23 THR 22 0.450 2.333 -10.090 177 3HG2 THR 22 HG22 THR 22 1.530 1.004 -9.668 178 H GLU 23 HN GLU 23 4.466 5.351 -9.378 179 HA GLU 23 HA GLU 23 6.029 5.414 -11.779 180 1HB GLU 23 HB2 GLU 23 4.993 7.362 -10.355 181 2HB GLU 23 HB1 GLU 23 6.551 7.334 -9.531 182 1HG GLU 23 HG2 GLU 23 6.858 7.199 -12.426 183 2HG GLU 23 HG1 GLU 23 5.987 8.647 -11.923 184 H GLN 24 HN GLN 24 6.801 4.209 -8.639 185 HA GLN 24 HA GLN 24 9.616 3.791 -9.530 186 1HB GLN 24 HB2 GLN 24 10.435 4.339 -7.274 187 2HB GLN 24 HB1 GLN 24 9.633 5.730 -8.002 188 1HG GLN 24 HG2 GLN 24 7.649 4.181 -6.648 189 2HG GLN 24 HG1 GLN 24 9.000 4.430 -5.540 190 1HE2 GLN 24 HE22 GLN 24 7.076 7.763 -7.007 191 2HE2 GLN 24 HE21 GLN 24 7.130 6.354 -7.951 192 H LYS 25 HN LYS 25 7.961 1.798 -9.857 193 HA LYS 25 HA LYS 25 8.257 0.070 -7.434 194 1HB LYS 25 HB2 LYS 25 5.918 0.363 -7.800 195 2HB LYS 25 HB1 LYS 25 6.092 0.168 -9.544 196 1HG LYS 25 HG2 LYS 25 6.389 -2.154 -9.383 197 2HG LYS 25 HG1 LYS 25 6.893 -2.068 -7.696 198 1HD LYS 25 HD2 LYS 25 4.731 -2.811 -7.393 199 2HD LYS 25 HD1 LYS 25 4.427 -1.074 -7.412 200 1HE LYS 25 HE2 LYS 25 4.494 -2.066 -10.117 201 2HE LYS 25 HE1 LYS 25 3.354 -3.017 -9.166 202 1HZ LYS 25 HZ3 LYS 25 2.398 -0.891 -8.375 203 2HZ LYS 25 HZ2 LYS 25 3.404 -0.067 -9.469 204 3HZ LYS 25 HZ1 LYS 25 2.215 -1.136 -10.045 205 H THR 26 HN THR 26 10.399 -0.534 -8.243 206 HA THR 26 HA THR 26 10.321 -2.891 -9.914 207 HB THR 26 HB THR 26 12.183 -1.104 -11.254 208 HG1 THR 26 HG1 THR 26 10.830 0.555 -11.037 209 1HG2 THR 26 HG21 THR 26 9.881 -2.889 -12.021 210 2HG2 THR 26 HG23 THR 26 10.717 -1.903 -13.221 211 3HG2 THR 26 HG22 THR 26 11.605 -3.127 -12.313 212 H LEU 27 HN LEU 27 12.346 -0.275 -8.630 213 HA LEU 27 HA LEU 27 14.601 -2.144 -8.284 214 1HB LEU 27 HB2 LEU 27 14.397 0.586 -8.788 215 2HB LEU 27 HB1 LEU 27 14.899 0.511 -7.097 216 HG LEU 27 HG LEU 27 16.284 -1.330 -8.983 217 1HD1 LEU 27 HD12 LEU 27 16.018 1.037 -10.055 218 2HD1 LEU 27 HD11 LEU 27 17.182 1.537 -8.829 219 3HD1 LEU 27 HD13 LEU 27 17.620 0.301 -10.009 220 1HD2 LEU 27 HD23 LEU 27 16.710 -0.007 -6.395 221 2HD2 LEU 27 HD22 LEU 27 17.395 -1.510 -7.012 222 3HD2 LEU 27 HD21 LEU 27 18.130 0.036 -7.439 223 H CYS 28 HN CYS 28 12.467 -0.172 -6.206 224 HA CYS 28 HA CYS 28 13.658 -1.446 -3.824 225 1HB CYS 28 HB2 CYS 28 11.693 0.781 -4.264 226 2HB CYS 28 HB1 CYS 28 11.786 -0.002 -2.687 227 H THR 29 HN THR 29 11.038 -2.058 -5.956 228 HA THR 29 HA THR 29 9.440 -3.474 -3.923 229 HB THR 29 HB THR 29 8.158 -4.160 -6.108 230 HG1 THR 29 HG1 THR 29 9.960 -3.410 -7.414 231 1HG2 THR 29 HG21 THR 29 7.965 -2.055 -4.311 232 2HG2 THR 29 HG23 THR 29 7.942 -1.248 -5.879 233 3HG2 THR 29 HG22 THR 29 6.749 -2.495 -5.511 234 H GLU 30 HN GLU 30 12.298 -4.260 -5.186 235 HA GLU 30 HA GLU 30 11.626 -6.979 -6.101 236 1HB GLU 30 HB2 GLU 30 13.932 -5.160 -6.264 237 2HB GLU 30 HB1 GLU 30 14.381 -6.834 -5.939 238 1HG GLU 30 HG2 GLU 30 12.503 -7.199 -7.875 239 2HG GLU 30 HG1 GLU 30 13.164 -5.638 -8.360 240 H LEU 31 HN LEU 31 10.682 -7.146 -3.768 241 HA LEU 31 HA LEU 31 12.504 -8.815 -2.247 242 1HB LEU 31 HB2 LEU 31 11.602 -7.288 -0.135 243 2HB LEU 31 HB1 LEU 31 13.224 -7.221 -0.805 244 HG LEU 31 HG LEU 31 11.711 -5.488 -2.441 245 1HD1 LEU 31 HD13 LEU 31 10.039 -5.769 -0.447 246 2HD1 LEU 31 HD12 LEU 31 11.184 -4.741 0.416 247 3HD1 LEU 31 HD11 LEU 31 10.399 -4.152 -1.051 248 1HD2 LEU 31 HD22 LEU 31 13.710 -5.218 -0.219 249 2HD2 LEU 31 HD21 LEU 31 13.904 -4.869 -1.937 250 3HD2 LEU 31 HD23 LEU 31 12.984 -3.768 -0.912 251 H THR 32 HN THR 32 11.074 -10.444 -2.438 252 HA THR 32 HA THR 32 8.330 -10.490 -2.537 253 HB THR 32 HB THR 32 8.507 -12.779 -1.443 254 HG1 THR 32 HG1 THR 32 10.289 -13.235 -0.448 255 1HG2 THR 32 HG21 THR 32 10.191 -11.862 -3.765 256 2HG2 THR 32 HG23 THR 32 10.176 -13.559 -3.286 257 3HG2 THR 32 HG22 THR 32 8.679 -12.771 -3.786 258 H VAL 33 HN VAL 33 6.639 -10.800 -1.055 259 HA VAL 33 HA VAL 33 7.152 -10.271 1.811 260 HB VAL 33 HB VAL 33 5.414 -8.511 1.847 261 1HG1 VAL 33 HG13 VAL 33 7.796 -7.895 1.501 262 2HG1 VAL 33 HG12 VAL 33 7.545 -7.981 -0.242 263 3HG1 VAL 33 HG11 VAL 33 6.697 -6.764 0.711 264 1HG2 VAL 33 HG22 VAL 33 5.045 -9.488 -0.898 265 2HG2 VAL 33 HG21 VAL 33 3.921 -8.608 0.138 266 3HG2 VAL 33 HG23 VAL 33 5.133 -7.730 -0.796 267 H THR 34 HN THR 34 3.982 -9.842 1.807 268 HA THR 34 HA THR 34 3.376 -12.756 1.531 269 HB THR 34 HB THR 34 3.061 -10.933 3.775 270 HG1 THR 34 HG1 THR 34 3.669 -12.767 4.546 271 1HG2 THR 34 HG22 THR 34 0.590 -12.389 2.788 272 2HG2 THR 34 HG21 THR 34 0.771 -11.727 4.409 273 3HG2 THR 34 HG23 THR 34 0.768 -10.649 3.015 274 H ASP 35 HN ASP 35 1.594 -13.292 0.338 275 HA ASP 35 HA ASP 35 0.189 -11.194 -1.142 276 1HB ASP 35 HB2 ASP 35 0.728 -13.833 -1.672 277 2HB ASP 35 HB1 ASP 35 -0.946 -13.931 -1.131 278 H ILE 36 HN ILE 36 -2.105 -10.709 -0.849 279 HA ILE 36 HA ILE 36 -3.304 -11.871 1.612 280 HB ILE 36 HB ILE 36 -3.751 -9.768 2.598 281 1HG1 ILE 36 HG12 ILE 36 -2.846 -8.484 -0.010 282 2HG1 ILE 36 HG11 ILE 36 -4.516 -8.592 0.538 283 1HG2 ILE 36 HG22 ILE 36 -1.345 -10.540 2.612 284 2HG2 ILE 36 HG21 ILE 36 -1.046 -9.416 1.287 285 3HG2 ILE 36 HG23 ILE 36 -1.560 -8.808 2.860 286 1HD1 ILE 36 HD12 ILE 36 -2.362 -7.255 2.184 287 2HD1 ILE 36 HD11 ILE 36 -3.346 -6.382 1.013 288 3HD1 ILE 36 HD13 ILE 36 -4.107 -7.156 2.398 289 H PHE 37 HN PHE 37 -3.824 -12.066 -1.365 290 HA PHE 37 HA PHE 37 -6.646 -11.072 -1.312 291 1HB PHE 37 HB2 PHE 37 -4.856 -11.597 -3.704 292 2HB PHE 37 HB1 PHE 37 -6.530 -11.042 -3.779 293 HD1 PHE 37 HD2 PHE 37 -6.968 -8.988 -2.010 294 HD2 PHE 37 HD1 PHE 37 -3.258 -9.919 -3.969 295 HE1 PHE 37 HE2 PHE 37 -6.215 -6.647 -1.698 296 HE2 PHE 37 HE1 PHE 37 -2.507 -7.576 -3.655 297 HZ PHE 37 HZ PHE 37 -3.986 -5.942 -2.519 298 H ALA 38 HN ALA 38 -5.927 -13.535 -0.109 299 HA ALA 38 HA ALA 38 -6.760 -15.603 -2.076 300 1HB ALA 38 HB2 ALA 38 -4.809 -16.041 -0.566 301 2HB ALA 38 HB1 ALA 38 -5.900 -15.938 0.815 302 3HB ALA 38 HB3 ALA 38 -6.105 -17.223 -0.376 303 H ALA 39 HN ALA 39 -8.077 -13.633 0.436 304 HA ALA 39 HA ALA 39 -10.590 -15.231 0.304 305 1HB ALA 39 HB3 ALA 39 -8.958 -14.607 2.669 306 2HB ALA 39 HB2 ALA 39 -10.649 -14.135 2.839 307 3HB ALA 39 HB1 ALA 39 -10.233 -15.809 2.469 308 H SER 40 HN SER 40 -12.490 -13.928 0.371 309 HA SER 40 HA SER 40 -12.256 -11.042 0.820 310 1HB SER 40 HB2 SER 40 -11.726 -11.964 -1.751 311 2HB SER 40 HB1 SER 40 -13.413 -11.467 -1.826 312 HG SER 40 HG SER 40 -12.511 -9.528 -0.608 313 H LYS 41 HN LYS 41 -13.836 -13.054 2.058 314 HA LYS 41 HA LYS 41 -16.564 -12.347 1.051 315 1HB LYS 41 HB2 LYS 41 -16.587 -14.509 2.970 316 2HB LYS 41 HB1 LYS 41 -17.144 -14.514 1.297 317 1HG LYS 41 HG2 LYS 41 -14.734 -14.796 0.591 318 2HG LYS 41 HG1 LYS 41 -14.332 -15.032 2.292 319 1HD LYS 41 HD2 LYS 41 -15.028 -17.168 2.223 320 2HD LYS 41 HD1 LYS 41 -16.595 -16.679 1.582 321 1HE LYS 41 HE2 LYS 41 -16.020 -17.588 -0.392 322 2HE LYS 41 HE1 LYS 41 -14.746 -16.381 -0.543 323 1HZ LYS 41 HZ3 LYS 41 -14.495 -18.987 0.857 324 2HZ LYS 41 HZ2 LYS 41 -13.861 -18.623 -0.678 325 3HZ LYS 41 HZ1 LYS 41 -13.269 -17.827 0.702 326 H ASP 42 HN ASP 42 -15.348 -13.543 4.188 327 HA ASP 42 HA ASP 42 -17.093 -11.838 5.690 328 1HB ASP 42 HB2 ASP 42 -15.775 -13.994 6.404 329 2HB ASP 42 HB1 ASP 42 -14.497 -12.849 6.818 330 H THR 43 HN THR 43 -13.993 -11.285 4.203 331 HA THR 43 HA THR 43 -13.700 -8.736 5.727 332 HB THR 43 HB THR 43 -11.390 -8.717 4.817 333 HG1 THR 43 HG1 THR 43 -10.735 -10.238 3.458 334 1HG2 THR 43 HG21 THR 43 -12.481 -10.503 6.731 335 2HG2 THR 43 HG23 THR 43 -11.253 -11.398 5.835 336 3HG2 THR 43 HG22 THR 43 -10.830 -9.890 6.647 337 H THR 44 HN THR 44 -14.372 -6.914 4.675 338 HA THR 44 HA THR 44 -14.977 -7.046 1.799 339 HB THR 44 HB THR 44 -15.097 -4.449 3.247 340 HG1 THR 44 HG1 THR 44 -17.107 -5.230 4.210 341 1HG2 THR 44 HG22 THR 44 -16.468 -5.900 1.089 342 2HG2 THR 44 HG21 THR 44 -17.558 -5.011 2.154 343 3HG2 THR 44 HG23 THR 44 -16.253 -4.165 1.321 344 H GLU 45 HN GLU 45 -14.288 -4.380 1.047 345 HA GLU 45 HA GLU 45 -11.525 -4.755 0.355 346 1HB GLU 45 HB2 GLU 45 -11.696 -2.722 -0.807 347 2HB GLU 45 HB1 GLU 45 -13.367 -3.286 -0.798 348 1HG GLU 45 HG2 GLU 45 -13.695 -1.925 1.327 349 2HG GLU 45 HG1 GLU 45 -12.111 -1.211 1.016 350 H LYS 46 HN LYS 46 -13.189 -3.020 2.914 351 HA LYS 46 HA LYS 46 -11.026 -1.456 3.895 352 1HB LYS 46 HB2 LYS 46 -13.610 -2.480 4.953 353 2HB LYS 46 HB1 LYS 46 -12.431 -1.918 6.133 354 1HG LYS 46 HG2 LYS 46 -12.438 0.271 5.288 355 2HG LYS 46 HG1 LYS 46 -13.056 -0.240 3.718 356 1HD LYS 46 HD2 LYS 46 -14.982 0.665 4.661 357 2HD LYS 46 HD1 LYS 46 -15.142 -1.024 5.146 358 1HE LYS 46 HE2 LYS 46 -14.986 -0.484 7.327 359 2HE LYS 46 HE1 LYS 46 -13.511 0.437 7.045 360 1HZ LYS 46 HZ3 LYS 46 -16.243 1.452 6.501 361 2HZ LYS 46 HZ2 LYS 46 -15.359 1.786 7.913 362 3HZ LYS 46 HZ1 LYS 46 -14.793 2.329 6.407 363 H GLU 47 HN GLU 47 -12.185 -4.654 5.054 364 HA GLU 47 HA GLU 47 -10.095 -5.036 6.949 365 1HB GLU 47 HB2 GLU 47 -12.043 -6.792 5.537 366 2HB GLU 47 HB1 GLU 47 -10.642 -7.579 6.266 367 1HG GLU 47 HG2 GLU 47 -12.572 -7.417 7.842 368 2HG GLU 47 HG1 GLU 47 -11.146 -6.558 8.425 369 H THR 48 HN THR 48 -10.322 -5.975 3.528 370 HA THR 48 HA THR 48 -7.873 -7.375 3.325 371 HB THR 48 HB THR 48 -9.862 -6.399 1.554 372 HG1 THR 48 HG1 THR 48 -9.286 -8.353 1.068 373 1HG2 THR 48 HG23 THR 48 -8.345 -4.492 1.091 374 2HG2 THR 48 HG22 THR 48 -7.067 -5.633 0.660 375 3HG2 THR 48 HG21 THR 48 -8.532 -5.540 -0.314 376 H PHE 49 HN PHE 49 -8.543 -3.925 3.460 377 HA PHE 49 HA PHE 49 -5.894 -3.113 2.626 378 1HB PHE 49 HB2 PHE 49 -8.126 -1.668 4.066 379 2HB PHE 49 HB1 PHE 49 -6.583 -0.897 3.698 380 HD1 PHE 49 HD2 PHE 49 -5.901 -1.979 1.055 381 HD2 PHE 49 HD1 PHE 49 -9.705 -0.727 2.612 382 HE1 PHE 49 HE2 PHE 49 -6.695 -1.525 -1.246 383 HE2 PHE 49 HE1 PHE 49 -10.494 -0.267 0.310 384 HZ PHE 49 HZ PHE 49 -8.992 -0.669 -1.621 385 H CYS 50 HN CYS 50 -7.385 -3.832 5.773 386 HA CYS 50 HA CYS 50 -5.217 -2.793 7.352 387 1HB CYS 50 HB2 CYS 50 -6.230 -3.822 9.187 388 2HB CYS 50 HB1 CYS 50 -7.597 -3.669 8.090 389 NH1 ARG 51 NH2 ARG 51 -7.274 -12.326 4.665 390 NH2 ARG 51 NH1 ARG 51 -6.999 -13.063 6.783 391 H ARG 51 HN ARG 51 -5.702 -5.832 5.626 392 HA ARG 51 HA ARG 51 -3.419 -7.184 6.806 393 1HB ARG 51 HB2 ARG 51 -4.847 -7.616 4.159 394 2HB ARG 51 HB1 ARG 51 -3.623 -8.699 4.821 395 1HG ARG 51 HG2 ARG 51 -5.070 -8.939 6.876 396 2HG ARG 51 HG1 ARG 51 -6.321 -8.031 6.025 397 1HD ARG 51 HD2 ARG 51 -6.838 -9.775 4.655 398 2HD ARG 51 HD1 ARG 51 -5.157 -10.280 4.500 399 HE ARG 51 HE ARG 51 -5.815 -10.936 7.110 400 1HH1 ARG 51 HH21 ARG 51 -7.138 -11.635 3.958 401 2HH1 ARG 51 HH22 ARG 51 -7.768 -13.168 4.446 402 1HH2 ARG 51 HH11 ARG 51 -6.647 -12.934 7.711 403 2HH2 ARG 51 HH12 ARG 51 -7.494 -13.899 6.548 404 H ALA 52 HN ALA 52 -3.972 -5.325 3.829 405 HA ALA 52 HA ALA 52 -1.213 -5.450 2.959 406 1HB ALA 52 HB2 ALA 52 -3.693 -4.394 1.974 407 2HB ALA 52 HB1 ALA 52 -2.476 -3.118 1.922 408 3HB ALA 52 HB3 ALA 52 -2.186 -4.649 1.094 409 H ALA 53 HN ALA 53 -2.751 -3.744 5.484 410 HA ALA 53 HA ALA 53 -1.061 -1.363 5.378 411 1HB ALA 53 HB2 ALA 53 -3.452 -1.812 6.530 412 2HB ALA 53 HB1 ALA 53 -2.412 -2.194 7.901 413 3HB ALA 53 HB3 ALA 53 -2.328 -0.601 7.148 414 H THR 54 HN THR 54 -1.164 -4.468 7.053 415 HA THR 54 HA THR 54 1.058 -3.906 8.820 416 HB THR 54 HB THR 54 -0.391 -6.384 7.921 417 HG1 THR 54 HG1 THR 54 -0.490 -4.728 9.947 418 1HG2 THR 54 HG21 THR 54 2.319 -6.230 9.227 419 2HG2 THR 54 HG23 THR 54 1.240 -7.591 9.533 420 3HG2 THR 54 HG22 THR 54 1.794 -7.258 7.893 421 H VAL 55 HN VAL 55 0.738 -5.622 5.702 422 HA VAL 55 HA VAL 55 3.513 -6.228 5.394 423 HB VAL 55 HB VAL 55 1.456 -5.653 3.235 424 1HG1 VAL 55 HG11 VAL 55 4.204 -6.902 3.239 425 2HG1 VAL 55 HG13 VAL 55 3.023 -7.303 1.992 426 3HG1 VAL 55 HG12 VAL 55 3.573 -5.638 2.183 427 1HG2 VAL 55 HG22 VAL 55 2.012 -7.988 5.001 428 2HG2 VAL 55 HG21 VAL 55 0.497 -7.479 4.257 429 3HG2 VAL 55 HG23 VAL 55 1.702 -8.342 3.301 430 H LEU 56 HN LEU 56 1.602 -3.345 4.612 431 HA LEU 56 HA LEU 56 3.686 -1.957 3.194 432 1HB LEU 56 HB2 LEU 56 1.019 -1.367 4.125 433 2HB LEU 56 HB1 LEU 56 2.099 -0.044 4.559 434 HG LEU 56 HG LEU 56 2.972 -0.315 2.096 435 1HD1 LEU 56 HD12 LEU 56 1.144 -2.355 2.084 436 2HD1 LEU 56 HD11 LEU 56 0.197 -1.036 1.394 437 3HD1 LEU 56 HD13 LEU 56 1.714 -1.523 0.636 438 1HD2 LEU 56 HD22 LEU 56 0.306 0.909 2.864 439 2HD2 LEU 56 HD21 LEU 56 1.880 1.706 2.859 440 3HD2 LEU 56 HD23 LEU 56 1.125 1.234 1.336 441 NH1 ARG 57 NH2 ARG 57 3.529 -3.116 12.150 442 NH2 ARG 57 NH1 ARG 57 4.351 -2.374 14.117 443 H ARG 57 HN ARG 57 2.909 -2.369 6.599 444 HA ARG 57 HA ARG 57 4.529 -0.302 7.691 445 1HB ARG 57 HB2 ARG 57 2.945 -1.775 8.999 446 2HB ARG 57 HB1 ARG 57 4.121 -3.081 8.847 447 1HG ARG 57 HG2 ARG 57 5.151 -2.285 10.681 448 2HG ARG 57 HG1 ARG 57 5.598 -0.863 9.744 449 1HD ARG 57 HD2 ARG 57 4.099 0.442 10.815 450 2HD ARG 57 HD1 ARG 57 2.818 -0.759 10.680 451 HE ARG 57 HE ARG 57 4.352 -0.191 13.021 452 1HH1 ARG 57 HH21 ARG 57 3.208 -2.947 11.222 453 2HH1 ARG 57 HH22 ARG 57 3.488 -4.041 12.527 454 1HH2 ARG 57 HH11 ARG 57 4.672 -1.626 14.698 455 2HH2 ARG 57 HH12 ARG 57 4.293 -3.303 14.484 456 H GLN 58 HN GLN 58 5.278 -3.671 6.812 457 HA GLN 58 HA GLN 58 8.071 -3.537 7.475 458 1HB GLN 58 HB2 GLN 58 6.628 -5.256 5.433 459 2HB GLN 58 HB1 GLN 58 8.282 -5.519 5.989 460 1HG GLN 58 HG2 GLN 58 6.358 -5.216 8.185 461 2HG GLN 58 HG1 GLN 58 6.025 -6.608 7.155 462 1HE2 GLN 58 HE22 GLN 58 8.809 -7.102 9.860 463 2HE2 GLN 58 HE21 GLN 58 7.445 -6.096 9.966 464 H PHE 59 HN PHE 59 6.199 -2.520 4.692 465 HA PHE 59 HA PHE 59 8.210 -2.271 2.730 466 1HB PHE 59 HB2 PHE 59 5.612 -1.744 2.703 467 2HB PHE 59 HB1 PHE 59 6.159 -0.107 3.050 468 HD1 PHE 59 HD2 PHE 59 8.446 0.451 1.546 469 HD2 PHE 59 HD1 PHE 59 5.183 -2.120 0.448 470 HE1 PHE 59 HE2 PHE 59 8.994 0.780 -0.845 471 HE2 PHE 59 HE1 PHE 59 5.731 -1.784 -1.947 472 HZ PHE 59 HZ PHE 59 7.636 -0.335 -2.593 473 OH TYR 60 OH TYR 60 7.388 4.010 10.789 474 H TYR 60 HN TYR 60 7.014 0.433 4.774 475 HA TYR 60 HA TYR 60 9.491 1.920 4.248 476 1HB TYR 60 HB2 TYR 60 8.226 3.724 4.715 477 2HB TYR 60 HB1 TYR 60 6.859 2.618 4.836 478 HD1 TYR 60 HD2 TYR 60 6.305 1.586 7.084 479 HD2 TYR 60 HD1 TYR 60 9.093 4.825 6.639 480 HE1 TYR 60 HE2 TYR 60 6.116 2.081 9.506 481 HE2 TYR 60 HE1 TYR 60 8.900 5.320 9.061 482 HH TYR 60 HH TYR 60 8.267 3.971 11.171 483 H SER 61 HN SER 61 8.784 -0.485 6.460 484 HA SER 61 HA SER 61 10.151 0.760 8.746 485 1HB SER 61 HB2 SER 61 8.430 -0.770 9.348 486 2HB SER 61 HB1 SER 61 9.021 -1.991 8.226 487 HG SER 61 HG SER 61 10.696 -1.028 10.266 488 H HIS 62 HN HIS 62 10.809 -2.073 6.651 489 HA HIS 62 HA HIS 62 13.560 -2.231 7.597 490 1HB HIS 62 HB2 HIS 62 11.991 -4.123 6.654 491 2HB HIS 62 HB1 HIS 62 12.607 -3.583 5.092 492 HD1 HIS 62 HD1 HIS 62 15.076 -4.050 4.550 493 HD2 HIS 62 HD2 HIS 62 13.986 -5.266 8.384 494 HE1 HIS 62 HE1 HIS 62 16.986 -5.463 5.422 495 H HIS 63 HN HIS 63 11.912 -0.711 4.892 496 HA HIS 63 HA HIS 63 14.299 -0.335 3.286 497 1HB HIS 63 HB2 HIS 63 11.523 0.810 3.263 498 2HB HIS 63 HB1 HIS 63 12.777 1.543 2.268 499 HD1 HIS 63 HD1 HIS 63 12.993 0.543 0.002 500 HD2 HIS 63 HD2 HIS 63 11.459 -2.201 2.740 501 HE1 HIS 63 HE1 HIS 63 12.499 -1.573 -1.303 502 H GLU 64 HN GLU 64 12.321 2.054 5.065 503 HA GLU 64 HA GLU 64 14.162 4.179 4.911 504 1HB GLU 64 HB2 GLU 64 11.736 4.189 5.754 505 2HB GLU 64 HB1 GLU 64 12.402 3.699 7.312 506 1HG GLU 64 HG2 GLU 64 14.027 5.704 6.992 507 2HG GLU 64 HG1 GLU 64 12.855 6.260 5.798 508 H LYS 65 HN LYS 65 14.235 1.340 6.952 509 HA LYS 65 HA LYS 65 16.417 2.563 8.572 510 1HB LYS 65 HB2 LYS 65 14.261 0.919 9.272 511 2HB LYS 65 HB1 LYS 65 15.669 -0.141 9.335 512 1HG LYS 65 HG2 LYS 65 15.510 2.575 10.673 513 2HG LYS 65 HG1 LYS 65 15.245 1.040 11.501 514 1HD LYS 65 HD2 LYS 65 17.631 0.563 10.244 515 2HD LYS 65 HD1 LYS 65 17.769 2.284 10.607 516 1HE LYS 65 HE2 LYS 65 16.839 1.519 12.972 517 2HE LYS 65 HE1 LYS 65 17.518 -0.033 12.487 518 1HZ LYS 65 HZ2 LYS 65 19.559 1.424 11.870 519 2HZ LYS 65 HZ1 LYS 65 18.883 2.518 12.979 520 3HZ LYS 65 HZ3 LYS 65 19.307 0.955 13.483 521 H ASP 66 HN ASP 66 17.007 1.910 5.881 522 HA ASP 66 HA ASP 66 19.248 0.094 6.306 523 1HB ASP 66 HB2 ASP 66 17.077 -1.300 5.729 524 2HB ASP 66 HB1 ASP 66 17.424 -0.764 4.084 525 H THR 67 HN THR 67 20.806 0.297 4.622 526 HA THR 67 HA THR 67 20.443 2.726 2.991 527 HB THR 67 HB THR 67 22.899 2.335 2.472 528 HG1 THR 67 HG1 THR 67 23.770 0.818 4.165 529 1HG2 THR 67 HG21 THR 67 21.683 2.898 5.114 530 2HG2 THR 67 HG23 THR 67 23.413 2.552 5.127 531 3HG2 THR 67 HG22 THR 67 22.787 3.878 4.149 532 NH1 ARG 68 NH2 ARG 68 16.348 -4.770 -2.871 533 NH2 ARG 68 NH1 ARG 68 17.815 -4.877 -4.585 534 H ARG 68 HN ARG 68 19.667 -0.446 2.468 535 HA ARG 68 HA ARG 68 20.864 -0.974 -0.076 536 1HB ARG 68 HB2 ARG 68 19.529 -2.558 1.514 537 2HB ARG 68 HB1 ARG 68 18.114 -1.954 0.652 538 1HG ARG 68 HG2 ARG 68 20.120 -2.570 -1.285 539 2HG ARG 68 HG1 ARG 68 19.972 -3.953 -0.200 540 1HD ARG 68 HD2 ARG 68 17.714 -4.281 -0.716 541 2HD ARG 68 HD1 ARG 68 17.495 -2.617 -1.254 542 HE ARG 68 HE ARG 68 19.321 -3.694 -3.054 543 1HH1 ARG 68 HH21 ARG 68 16.111 -4.493 -1.941 544 2HH1 ARG 68 HH22 ARG 68 15.672 -5.249 -3.432 545 1HH2 ARG 68 HH11 ARG 68 18.715 -4.680 -4.973 546 2HH2 ARG 68 HH12 ARG 68 17.128 -5.355 -5.134 547 H CYS 69 HN CYS 69 17.628 0.365 0.720 548 HA CYS 69 HA CYS 69 17.255 1.075 -2.126 549 1HB CYS 69 HB2 CYS 69 15.523 0.773 0.241 550 2HB CYS 69 HB1 CYS 69 15.084 2.118 -0.811 551 H LEU 70 HN LEU 70 19.318 2.528 -0.444 552 HA LEU 70 HA LEU 70 18.094 5.199 -0.174 553 1HB LEU 70 HB2 LEU 70 20.534 3.886 0.792 554 2HB LEU 70 HB1 LEU 70 20.817 5.529 0.218 555 HG LEU 70 HG LEU 70 18.712 4.712 2.246 556 1HD1 LEU 70 HD13 LEU 70 21.452 5.949 2.452 557 2HD1 LEU 70 HD12 LEU 70 20.226 6.277 3.677 558 3HD1 LEU 70 HD11 LEU 70 20.767 4.624 3.391 559 1HD2 LEU 70 HD23 LEU 70 19.387 7.280 0.840 560 2HD2 LEU 70 HD22 LEU 70 17.804 6.613 1.243 561 3HD2 LEU 70 HD21 LEU 70 18.799 7.346 2.502 562 H GLY 71 HN GLY 71 21.320 4.532 -1.532 563 1HA GLY 71 HA2 GLY 71 21.032 4.823 -4.218 564 2HA GLY 71 HA1 GLY 71 20.763 6.475 -3.664 565 H ALA 72 HN ALA 72 22.683 7.349 -4.518 566 HA ALA 72 HA ALA 72 25.129 6.668 -2.997 567 1HB ALA 72 HB2 ALA 72 24.701 5.638 -5.578 568 2HB ALA 72 HB1 ALA 72 25.804 6.996 -5.797 569 3HB ALA 72 HB3 ALA 72 26.230 5.682 -4.699 570 H THR 73 HN THR 73 23.780 8.681 -5.632 571 HA THR 73 HA THR 73 25.620 10.873 -4.919 572 HB THR 73 HB THR 73 24.881 11.944 -6.885 573 HG1 THR 73 HG1 THR 73 22.850 10.801 -7.843 574 1HG2 THR 73 HG21 THR 73 25.989 9.663 -7.214 575 2HG2 THR 73 HG23 THR 73 24.376 9.045 -7.569 576 3HG2 THR 73 HG22 THR 73 25.087 10.296 -8.590 577 H ALA 74 HN ALA 74 24.120 13.130 -5.197 578 HA ALA 74 HA ALA 74 22.522 13.088 -2.722 579 1HB ALA 74 HB3 ALA 74 23.346 15.355 -4.559 580 2HB ALA 74 HB2 ALA 74 22.447 15.565 -3.056 581 3HB ALA 74 HB1 ALA 74 24.091 14.927 -3.019 582 H GLN 75 HN GLN 75 21.963 13.100 -6.162 583 HA GLN 75 HA GLN 75 19.264 14.199 -5.964 584 1HB GLN 75 HB2 GLN 75 20.982 13.051 -8.115 585 2HB GLN 75 HB1 GLN 75 19.236 12.982 -8.358 586 1HG GLN 75 HG2 GLN 75 19.041 15.248 -8.576 587 2HG GLN 75 HG1 GLN 75 20.275 15.570 -7.358 588 1HE2 GLN 75 HE22 GLN 75 21.504 16.347 -10.902 589 2HE2 GLN 75 HE21 GLN 75 20.041 16.730 -10.130 590 H GLN 76 HN GLN 76 20.731 10.971 -6.116 591 HA GLN 76 HA GLN 76 18.287 9.509 -6.387 592 1HB GLN 76 HB2 GLN 76 20.972 8.835 -6.224 593 2HB GLN 76 HB1 GLN 76 20.312 8.192 -4.719 594 1HG GLN 76 HG2 GLN 76 19.095 6.596 -5.790 595 2HG GLN 76 HG1 GLN 76 18.628 7.693 -7.091 596 1HE2 GLN 76 HE22 GLN 76 20.796 5.540 -8.983 597 2HE2 GLN 76 HE21 GLN 76 19.173 5.777 -8.545 598 H PHE 77 HN PHE 77 19.919 10.946 -3.622 599 HA PHE 77 HA PHE 77 18.430 9.621 -1.568 600 1HB PHE 77 HB2 PHE 77 20.393 11.639 -1.684 601 2HB PHE 77 HB1 PHE 77 19.002 12.384 -0.896 602 HD1 PHE 77 HD1 PHE 77 21.497 9.675 -0.708 603 HD2 PHE 77 HD2 PHE 77 18.171 11.568 1.246 604 HE1 PHE 77 HE1 PHE 77 22.027 8.451 1.381 605 HE2 PHE 77 HE2 PHE 77 18.702 10.342 3.336 606 HZ PHE 77 HZ PHE 77 20.630 8.784 3.403 607 H HIS 78 HN HIS 78 17.739 12.399 -3.620 608 HA HIS 78 HA HIS 78 15.403 13.296 -2.200 609 1HB HIS 78 HB2 HIS 78 16.314 14.846 -3.746 610 2HB HIS 78 HB1 HIS 78 16.386 13.643 -5.034 611 HD1 HIS 78 HD1 HIS 78 14.057 12.891 -6.082 612 HD2 HIS 78 HD2 HIS 78 13.856 16.183 -3.531 613 HE1 HIS 78 HE1 HIS 78 11.800 13.969 -6.479 614 NH1 ARG 79 NH2 ARG 79 15.034 9.104 -11.315 615 NH2 ARG 79 NH1 ARG 79 13.910 11.047 -11.562 616 H ARG 79 HN ARG 79 15.875 11.113 -4.967 617 HA ARG 79 HA ARG 79 13.159 10.549 -5.516 618 1HB ARG 79 HB2 ARG 79 15.440 8.553 -5.634 619 2HB ARG 79 HB1 ARG 79 13.946 8.513 -6.570 620 1HG ARG 79 HG2 ARG 79 14.869 11.010 -7.182 621 2HG ARG 79 HG1 ARG 79 16.386 10.131 -6.984 622 1HD ARG 79 HD2 ARG 79 16.099 9.093 -8.960 623 2HD ARG 79 HD1 ARG 79 14.505 8.520 -8.473 624 HE ARG 79 HE ARG 79 14.094 11.184 -9.120 625 1HH1 ARG 79 HH21 ARG 79 15.482 8.422 -10.739 626 2HH1 ARG 79 HH22 ARG 79 15.003 8.972 -12.306 627 1HH2 ARG 79 HH11 ARG 79 13.489 11.865 -11.168 628 2HH2 ARG 79 HH12 ARG 79 13.887 10.900 -12.551 629 H HIS 80 HN HIS 80 15.369 8.720 -3.376 630 HA HIS 80 HA HIS 80 13.369 6.963 -2.350 631 1HB HIS 80 HB2 HIS 80 15.811 6.573 -2.123 632 2HB HIS 80 HB1 HIS 80 15.909 7.935 -1.006 633 HD1 HIS 80 HD1 HIS 80 13.938 4.675 -1.309 634 HD2 HIS 80 HD2 HIS 80 15.553 7.170 1.615 635 HE1 HIS 80 HE1 HIS 80 13.530 3.532 0.915 636 H LYS 81 HN LYS 81 14.169 10.281 -1.589 637 HA LYS 81 HA LYS 81 13.040 10.391 1.039 638 1HB LYS 81 HB2 LYS 81 14.475 12.146 -0.237 639 2HB LYS 81 HB1 LYS 81 12.933 12.696 -0.895 640 1HG LYS 81 HG2 LYS 81 12.987 14.000 1.003 641 2HG LYS 81 HG1 LYS 81 12.234 12.562 1.691 642 1HD LYS 81 HD2 LYS 81 14.554 11.736 2.267 643 2HD LYS 81 HD1 LYS 81 15.163 13.321 1.790 644 1HE LYS 81 HE2 LYS 81 12.915 13.105 3.778 645 2HE LYS 81 HE1 LYS 81 14.587 12.900 4.303 646 1HZ LYS 81 HZ3 LYS 81 15.105 15.050 3.287 647 2HZ LYS 81 HZ2 LYS 81 13.470 15.252 2.873 648 3HZ LYS 81 HZ1 LYS 81 13.935 15.193 4.506 649 H GLN 82 HN GLN 82 11.621 10.807 -2.181 650 HA GLN 82 HA GLN 82 9.017 11.612 -1.224 651 1HB GLN 82 HB2 GLN 82 10.140 11.705 -3.639 652 2HB GLN 82 HB1 GLN 82 9.330 10.150 -3.816 653 1HG GLN 82 HG2 GLN 82 7.513 11.382 -4.399 654 2HG GLN 82 HG1 GLN 82 7.352 11.670 -2.668 655 1HE2 GLN 82 HE22 GLN 82 7.344 15.076 -3.893 656 2HE2 GLN 82 HE21 GLN 82 6.303 13.768 -3.599 657 H LEU 83 HN LEU 83 10.595 8.511 -1.672 658 HA LEU 83 HA LEU 83 8.157 6.938 -1.640 659 1HB LEU 83 HB2 LEU 83 10.249 6.053 -2.588 660 2HB LEU 83 HB1 LEU 83 11.013 6.139 -1.002 661 HG LEU 83 HG LEU 83 8.735 4.692 -0.446 662 1HD1 LEU 83 HD13 LEU 83 8.659 4.710 -3.138 663 2HD1 LEU 83 HD12 LEU 83 9.722 3.325 -2.889 664 3HD1 LEU 83 HD11 LEU 83 8.109 3.337 -2.178 665 1HD2 LEU 83 HD21 LEU 83 11.313 4.345 -0.021 666 2HD2 LEU 83 HD23 LEU 83 10.225 2.956 0.009 667 3HD2 LEU 83 HD22 LEU 83 11.199 3.284 -1.424 668 H ILE 84 HN ILE 84 10.569 7.786 0.862 669 HA ILE 84 HA ILE 84 9.299 6.291 2.954 670 HB ILE 84 HB ILE 84 10.980 8.798 3.246 671 1HG1 ILE 84 HG12 ILE 84 12.203 7.239 1.862 672 2HG1 ILE 84 HG11 ILE 84 12.863 7.127 3.494 673 1HG2 ILE 84 HG21 ILE 84 9.791 8.006 5.288 674 2HG2 ILE 84 HG23 ILE 84 10.550 6.427 5.090 675 3HG2 ILE 84 HG22 ILE 84 11.541 7.844 5.431 676 1HD1 ILE 84 HD11 ILE 84 11.031 5.241 3.770 677 2HD1 ILE 84 HD13 ILE 84 11.139 5.173 2.011 678 3HD1 ILE 84 HD12 ILE 84 12.572 4.876 2.994 679 NH1 ARG 85 NH2 ARG 85 8.139 16.716 1.743 680 NH2 ARG 85 NH1 ARG 85 8.725 17.240 3.860 681 H ARG 85 HN ARG 85 8.866 9.600 1.776 682 HA ARG 85 HA ARG 85 7.169 10.474 3.919 683 1HB ARG 85 HB2 ARG 85 8.059 11.493 1.339 684 2HB ARG 85 HB1 ARG 85 6.369 11.891 1.651 685 1HG ARG 85 HG2 ARG 85 7.110 12.662 3.967 686 2HG ARG 85 HG1 ARG 85 8.767 12.534 3.378 687 1HD ARG 85 HD2 ARG 85 8.222 14.107 1.539 688 2HD ARG 85 HD1 ARG 85 6.582 14.257 2.167 689 HE ARG 85 HE ARG 85 8.219 14.888 4.329 690 1HH1 ARG 85 HH21 ARG 85 7.824 16.058 1.062 691 2HH1 ARG 85 HH22 ARG 85 8.322 17.661 1.470 692 1HH2 ARG 85 HH11 ARG 85 8.860 16.977 4.815 693 2HH2 ARG 85 HH12 ARG 85 8.903 18.181 3.570 694 H PHE 86 HN PHE 86 6.354 9.282 0.647 695 HA PHE 86 HA PHE 86 3.545 9.361 0.905 696 1HB PHE 86 HB2 PHE 86 4.273 8.866 -1.260 697 2HB PHE 86 HB1 PHE 86 5.428 7.657 -0.704 698 HD1 PHE 86 HD2 PHE 86 4.685 5.392 -0.081 699 HD2 PHE 86 HD1 PHE 86 1.911 8.327 -1.535 700 HE1 PHE 86 HE2 PHE 86 2.995 3.617 -0.426 701 HE2 PHE 86 HE1 PHE 86 0.221 6.546 -1.891 702 HZ PHE 86 HZ PHE 86 0.763 4.195 -1.336 703 H LEU 87 HN LEU 87 5.746 6.661 1.667 704 HA LEU 87 HA LEU 87 3.875 4.755 2.486 705 1HB LEU 87 HB2 LEU 87 6.669 5.379 3.427 706 2HB LEU 87 HB1 LEU 87 5.743 4.063 4.144 707 HG LEU 87 HG LEU 87 6.039 4.295 1.154 708 1HD1 LEU 87 HD12 LEU 87 8.260 4.193 2.641 709 2HD1 LEU 87 HD11 LEU 87 7.828 2.484 2.721 710 3HD1 LEU 87 HD13 LEU 87 8.101 3.253 1.157 711 1HD2 LEU 87 HD23 LEU 87 5.400 2.095 3.134 712 2HD2 LEU 87 HD22 LEU 87 4.366 2.731 1.854 713 3HD2 LEU 87 HD21 LEU 87 5.784 1.767 1.444 714 H LYS 88 HN LYS 88 5.409 7.250 4.537 715 HA LYS 88 HA LYS 88 4.083 6.507 6.939 716 1HB LYS 88 HB2 LYS 88 5.304 9.078 5.964 717 2HB LYS 88 HB1 LYS 88 4.533 8.974 7.547 718 1HG LYS 88 HG2 LYS 88 6.074 6.736 7.606 719 2HG LYS 88 HG1 LYS 88 7.073 7.785 6.600 720 1HD LYS 88 HD2 LYS 88 7.666 9.050 8.369 721 2HD LYS 88 HD1 LYS 88 5.985 9.250 8.861 722 1HE LYS 88 HE2 LYS 88 6.097 7.564 10.389 723 2HE LYS 88 HE1 LYS 88 7.115 6.562 9.354 724 1HZ LYS 88 HZ1 LYS 88 8.983 8.049 9.887 725 2HZ LYS 88 HZ3 LYS 88 7.987 8.900 10.962 726 3HZ LYS 88 HZ2 LYS 88 8.361 7.270 11.262 727 NH1 ARG 89 NH2 ARG 89 -2.960 10.665 0.191 728 NH2 ARG 89 NH1 ARG 89 -4.671 11.078 1.606 729 H ARG 89 HN ARG 89 2.999 8.605 4.287 730 HA ARG 89 HA ARG 89 0.718 9.669 5.716 731 1HB ARG 89 HB2 ARG 89 1.749 10.646 3.609 732 2HB ARG 89 HB1 ARG 89 0.981 9.333 2.717 733 1HG ARG 89 HG2 ARG 89 -1.006 10.453 4.416 734 2HG ARG 89 HG1 ARG 89 -0.189 11.795 3.611 735 1HD ARG 89 HD2 ARG 89 -0.742 11.017 1.469 736 2HD ARG 89 HD1 ARG 89 -1.036 9.374 2.038 737 HE ARG 89 HE ARG 89 -2.952 10.883 3.348 738 1HH1 ARG 89 HH21 ARG 89 -1.996 10.481 0.023 739 2HH1 ARG 89 HH22 ARG 89 -3.595 10.729 -0.579 740 1HH2 ARG 89 HH11 ARG 89 -5.019 11.209 2.535 741 2HH2 ARG 89 HH12 ARG 89 -5.294 11.137 0.826 742 H LEU 90 HN LEU 90 0.775 7.346 3.018 743 HA LEU 90 HA LEU 90 -1.896 6.448 3.339 744 1HB LEU 90 HB2 LEU 90 -0.464 6.127 1.311 745 2HB LEU 90 HB1 LEU 90 0.430 4.887 2.189 746 HG LEU 90 HG LEU 90 -2.380 4.372 2.458 747 1HD1 LEU 90 HD12 LEU 90 -1.990 5.711 0.113 748 2HD1 LEU 90 HD11 LEU 90 -1.693 4.050 -0.399 749 3HD1 LEU 90 HD13 LEU 90 -3.231 4.481 0.348 750 1HD2 LEU 90 HD22 LEU 90 0.036 3.023 1.274 751 2HD2 LEU 90 HD21 LEU 90 -0.897 2.566 2.700 752 3HD2 LEU 90 HD23 LEU 90 -1.561 2.298 1.088 753 H ASP 91 HN ASP 91 0.864 5.725 5.285 754 HA ASP 91 HA ASP 91 0.361 3.053 6.053 755 1HB ASP 91 HB2 ASP 91 1.838 5.333 7.125 756 2HB ASP 91 HB1 ASP 91 1.163 4.321 8.401 757 NH1 ARG 92 NH2 ARG 92 1.427 5.485 11.631 758 NH2 ARG 92 NH1 ARG 92 1.168 5.826 13.848 759 H ARG 92 HN ARG 92 -0.844 6.035 7.639 760 HA ARG 92 HA ARG 92 -2.760 4.401 9.182 761 1HB ARG 92 HB2 ARG 92 -2.375 7.409 9.163 762 2HB ARG 92 HB1 ARG 92 -3.278 6.471 10.353 763 1HG ARG 92 HG2 ARG 92 -0.322 6.125 9.793 764 2HG ARG 92 HG1 ARG 92 -0.975 7.069 11.132 765 1HD ARG 92 HD2 ARG 92 -2.338 4.779 11.513 766 2HD ARG 92 HD1 ARG 92 -0.895 4.112 10.757 767 HE ARG 92 HE ARG 92 -1.115 5.049 13.452 768 1HH1 ARG 92 HH21 ARG 92 1.071 5.180 10.751 769 2HH1 ARG 92 HH22 ARG 92 2.381 5.776 11.706 770 1HH2 ARG 92 HH11 ARG 92 0.602 5.792 14.672 771 2HH2 ARG 92 HH12 ARG 92 2.126 6.105 13.911 772 H ASN 93 HN ASN 93 -2.710 6.478 6.367 773 HA ASN 93 HA ASN 93 -5.607 6.857 6.323 774 1HB ASN 93 HB2 ASN 93 -3.409 8.030 5.035 775 2HB ASN 93 HB1 ASN 93 -4.303 7.212 3.753 776 1HD2 ASN 93 HD22 ASN 93 -6.450 9.969 5.935 777 2HD2 ASN 93 HD21 ASN 93 -5.365 8.944 6.744 778 H LEU 94 HN LEU 94 -3.689 4.160 5.669 779 HA LEU 94 HA LEU 94 -5.337 3.248 3.399 780 1HB LEU 94 HB2 LEU 94 -2.937 2.717 3.381 781 2HB LEU 94 HB1 LEU 94 -3.103 1.854 4.909 782 HG LEU 94 HG LEU 94 -4.720 0.304 3.828 783 1HD1 LEU 94 HD11 LEU 94 -3.983 1.892 1.350 784 2HD1 LEU 94 HD13 LEU 94 -4.860 0.363 1.330 785 3HD1 LEU 94 HD12 LEU 94 -5.579 1.781 2.091 786 1HD2 LEU 94 HD21 LEU 94 -1.956 0.639 2.653 787 2HD2 LEU 94 HD23 LEU 94 -2.495 -0.516 3.873 788 3HD2 LEU 94 HD22 LEU 94 -2.993 -0.711 2.193 789 CH2 TRP 95 CH2 TRP 95 -6.109 -0.967 13.274 790 H TRP 95 HN TRP 95 -4.486 1.840 6.590 791 HA TRP 95 HA TRP 95 -6.996 0.278 6.491 792 1HB TRP 95 HB2 TRP 95 -6.032 -1.142 7.963 793 2HB TRP 95 HB1 TRP 95 -4.548 -0.381 7.404 794 HD1 TRP 95 HD1 TRP 95 -4.062 2.039 8.878 795 HE1 TRP 95 HE1 TRP 95 -4.010 2.240 11.452 796 HE3 TRP 95 HE3 TRP 95 -6.760 -2.105 10.125 797 HZ2 TRP 95 HZ2 TRP 95 -4.985 0.811 13.737 798 HZ3 TRP 95 HZ3 TRP 95 -7.177 -2.670 12.500 799 HH2 TRP 95 HH2 TRP 95 -6.296 -1.218 14.308 800 H GLY 96 HN GLY 96 -5.890 3.227 7.820 801 1HA GLY 96 HA2 GLY 96 -7.367 3.417 10.222 802 2HA GLY 96 HA1 GLY 96 -7.014 4.794 9.171 803 H LEU 97 HN LEU 97 -8.395 3.538 6.866 804 HA LEU 97 HA LEU 97 -11.075 4.526 7.390 805 1HB LEU 97 HB2 LEU 97 -9.608 3.325 5.081 806 2HB LEU 97 HB1 LEU 97 -11.368 3.212 5.060 807 HG LEU 97 HG LEU 97 -10.878 5.839 5.852 808 1HD1 LEU 97 HD13 LEU 97 -8.519 4.924 4.642 809 2HD1 LEU 97 HD12 LEU 97 -9.355 5.817 3.373 810 3HD1 LEU 97 HD11 LEU 97 -8.980 6.606 4.904 811 1HD2 LEU 97 HD21 LEU 97 -12.424 4.569 4.046 812 2HD2 LEU 97 HD23 LEU 97 -12.175 6.314 4.009 813 3HD2 LEU 97 HD22 LEU 97 -11.233 5.267 2.948 814 H ALA 98 HN ALA 98 -9.545 1.363 7.077 815 HA ALA 98 HA ALA 98 -11.723 -0.359 7.020 816 1HB ALA 98 HB3 ALA 98 -9.206 -0.905 7.050 817 2HB ALA 98 HB2 ALA 98 -9.351 -0.875 8.807 818 3HB ALA 98 HB1 ALA 98 -10.284 -2.038 7.864 819 H GLY 99 HN GLY 99 -10.250 1.113 9.916 820 1HA GLY 99 HA2 GLY 99 -11.225 1.548 12.020 821 2HA GLY 99 HA1 GLY 99 -12.794 1.195 11.293 822 H LEU 100 HN LEU 100 -9.840 -0.755 11.842 823 HA LEU 100 HA LEU 100 -11.483 -2.639 13.462 824 1HB LEU 100 HB2 LEU 100 -10.634 -3.111 10.785 825 2HB LEU 100 HB1 LEU 100 -9.659 -4.139 11.833 826 HG LEU 100 HG LEU 100 -12.051 -4.554 12.974 827 1HD1 LEU 100 HD13 LEU 100 -12.619 -3.231 10.451 828 2HD1 LEU 100 HD12 LEU 100 -13.316 -4.851 10.486 829 3HD1 LEU 100 HD11 LEU 100 -13.729 -3.685 11.744 830 1HD2 LEU 100 HD23 LEU 100 -10.426 -6.207 11.951 831 2HD2 LEU 100 HD22 LEU 100 -12.125 -6.638 11.759 832 3HD2 LEU 100 HD21 LEU 100 -11.232 -5.940 10.406 833 H ASN 101 HN ASN 101 -9.506 -4.591 13.795 834 HA ASN 101 HA ASN 101 -7.306 -3.040 15.109 835 1HB ASN 101 HB2 ASN 101 -8.048 -5.775 16.067 836 2HB ASN 101 HB1 ASN 101 -7.438 -4.395 16.981 837 1HD2 ASN 101 HD22 ASN 101 -10.781 -2.819 16.955 838 2HD2 ASN 101 HD21 ASN 101 -9.198 -2.376 16.534 839 H SER 102 HN SER 102 -5.758 -5.375 15.752 840 HA SER 102 HA SER 102 -4.271 -5.730 13.355 841 1HB SER 102 HB2 SER 102 -4.437 -7.343 15.907 842 2HB SER 102 HB1 SER 102 -3.361 -7.803 14.590 843 HG SER 102 HG SER 102 -3.350 -5.142 15.437 844 H CYS 103 HN CYS 103 -4.266 -7.454 11.816 845 HA CYS 103 HA CYS 103 -6.636 -9.263 11.985 846 1HB CYS 103 HB2 CYS 103 -5.790 -8.773 9.253 847 2HB CYS 103 HB1 CYS 103 -7.381 -8.547 9.978 848 HA PRO 104 HA PRO 104 -3.885 -12.615 11.374 849 1HB PRO 104 HB2 PRO 104 -5.512 -14.035 9.500 850 2HB PRO 104 HB1 PRO 104 -5.427 -14.275 11.250 851 1HG PRO 104 HG2 PRO 104 -7.593 -13.110 9.733 852 2HG PRO 104 HG1 PRO 104 -7.506 -13.377 11.480 853 1HD PRO 104 HD2 PRO 104 -7.299 -10.872 10.051 854 2HD PRO 104 HD1 PRO 104 -7.260 -11.142 11.805 855 H VAL 105 HN VAL 105 -2.145 -11.741 10.166 856 HA VAL 105 HA VAL 105 -2.424 -11.971 7.192 857 HB VAL 105 HB VAL 105 -0.409 -10.250 7.309 858 1HG1 VAL 105 HG13 VAL 105 -2.828 -9.986 6.424 859 2HG1 VAL 105 HG12 VAL 105 -3.155 -9.187 7.961 860 3HG1 VAL 105 HG11 VAL 105 -1.950 -8.521 6.860 861 1HG2 VAL 105 HG21 VAL 105 -0.564 -10.481 9.914 862 2HG2 VAL 105 HG23 VAL 105 -0.330 -8.879 9.213 863 3HG2 VAL 105 HG22 VAL 105 -1.932 -9.378 9.757 864 H LYS 106 HN LYS 106 -1.720 -14.210 8.619 865 HA LYS 106 HA LYS 106 1.193 -14.431 7.989 866 1HB LYS 106 HB2 LYS 106 0.267 -14.493 10.539 867 2HB LYS 106 HB1 LYS 106 0.126 -16.199 10.115 868 1HG LYS 106 HG2 LYS 106 2.619 -15.359 9.092 869 2HG LYS 106 HG1 LYS 106 2.511 -14.685 10.719 870 1HD LYS 106 HD2 LYS 106 1.563 -17.153 11.224 871 2HD LYS 106 HD1 LYS 106 2.602 -17.532 9.850 872 1HE LYS 106 HE2 LYS 106 4.483 -16.356 10.997 873 2HE LYS 106 HE1 LYS 106 3.434 -16.109 12.395 874 1HZ LYS 106 HZ1 LYS 106 4.182 -18.741 11.239 875 2HZ LYS 106 HZ3 LYS 106 4.817 -18.072 12.662 876 3HZ LYS 106 HZ2 LYS 106 3.175 -18.500 12.585 877 H GLU 107 HN GLU 107 -1.497 -15.244 6.627 878 HA GLU 107 HA GLU 107 -1.118 -18.186 6.529 879 1HB GLU 107 HB2 GLU 107 -3.198 -18.132 5.135 880 2HB GLU 107 HB1 GLU 107 -3.417 -17.415 6.732 881 1HG GLU 107 HG2 GLU 107 -3.729 -15.320 5.890 882 2HG GLU 107 HG1 GLU 107 -2.506 -15.536 4.639 883 H ALA 108 HN ALA 108 0.109 -15.522 4.893 884 HA ALA 108 HA ALA 108 0.178 -16.920 2.284 885 1HB ALA 108 HB1 ALA 108 -0.311 -14.468 2.388 886 2HB ALA 108 HB3 ALA 108 1.304 -14.216 3.048 887 3HB ALA 108 HB2 ALA 108 1.109 -14.854 1.417 888 H ASP 109 HN ASP 109 2.173 -17.474 1.301 889 HA ASP 109 HA ASP 109 4.331 -18.040 3.251 890 1HB ASP 109 HB2 ASP 109 4.218 -18.924 0.360 891 2HB ASP 109 HB1 ASP 109 5.166 -19.628 1.674 892 H GLN 110 HN GLN 110 4.278 -16.892 -0.169 893 HA GLN 110 HA GLN 110 5.926 -14.599 0.493 894 1HB GLN 110 HB2 GLN 110 7.279 -17.054 0.164 895 2HB GLN 110 HB1 GLN 110 7.548 -16.153 -1.328 896 1HG GLN 110 HG2 GLN 110 8.918 -14.678 -0.302 897 2HG GLN 110 HG1 GLN 110 7.807 -14.470 1.052 898 1HE2 GLN 110 HE22 GLN 110 9.749 -16.487 3.165 899 2HE2 GLN 110 HE21 GLN 110 8.603 -15.246 3.001 900 H SER 111 HN SER 111 4.421 -13.455 -0.813 901 HA SER 111 HA SER 111 4.292 -14.237 -3.694 902 1HB SER 111 HB2 SER 111 2.105 -13.721 -3.332 903 2HB SER 111 HB1 SER 111 2.470 -12.883 -1.826 904 HG SER 111 HG SER 111 2.763 -11.045 -2.901 905 H THR 112 HN THR 112 5.531 -13.077 -5.124 906 HA THR 112 HA THR 112 7.481 -11.223 -4.446 907 HB THR 112 HB THR 112 7.045 -10.349 -6.906 908 HG1 THR 112 HG1 THR 112 5.875 -12.804 -7.299 909 1HG2 THR 112 HG23 THR 112 7.873 -13.177 -6.200 910 2HG2 THR 112 HG22 THR 112 8.189 -12.401 -7.752 911 3HG2 THR 112 HG21 THR 112 8.924 -11.763 -6.282 912 H LEU 113 HN LEU 113 7.484 -9.164 -3.769 913 HA LEU 113 HA LEU 113 5.221 -7.719 -2.991 914 1HB LEU 113 HB2 LEU 113 7.704 -7.306 -2.452 915 2HB LEU 113 HB1 LEU 113 7.747 -6.373 -3.947 916 HG LEU 113 HG LEU 113 5.498 -5.768 -2.107 917 1HD1 LEU 113 HD12 LEU 113 7.921 -6.051 -0.897 918 2HD1 LEU 113 HD11 LEU 113 8.026 -4.378 -1.444 919 3HD1 LEU 113 HD13 LEU 113 6.706 -4.878 -0.387 920 1HD2 LEU 113 HD23 LEU 113 6.078 -4.618 -4.316 921 2HD2 LEU 113 HD22 LEU 113 5.856 -3.552 -2.931 922 3HD2 LEU 113 HD21 LEU 113 7.480 -3.944 -3.488 923 H GLU 114 HN GLU 114 6.738 -7.801 -6.178 924 HA GLU 114 HA GLU 114 5.350 -5.456 -7.159 925 1HB GLU 114 HB2 GLU 114 6.854 -7.693 -8.514 926 2HB GLU 114 HB1 GLU 114 6.077 -6.397 -9.424 927 1HG GLU 114 HG2 GLU 114 7.388 -4.720 -8.224 928 2HG GLU 114 HG1 GLU 114 8.120 -5.976 -7.224 929 H ASN 115 HN ASN 115 4.776 -8.958 -7.591 930 HA ASN 115 HA ASN 115 2.493 -8.658 -9.290 931 1HB ASN 115 HB2 ASN 115 3.114 -10.884 -7.323 932 2HB ASN 115 HB1 ASN 115 1.965 -10.981 -8.660 933 1HD2 ASN 115 HD22 ASN 115 5.103 -12.421 -9.976 934 2HD2 ASN 115 HD21 ASN 115 3.923 -12.849 -8.833 935 H PHE 116 HN PHE 116 2.742 -9.003 -5.757 936 HA PHE 116 HA PHE 116 -0.048 -8.958 -5.200 937 1HB PHE 116 HB2 PHE 116 1.041 -9.508 -3.272 938 2HB PHE 116 HB1 PHE 116 2.476 -8.583 -3.707 939 HD1 PHE 116 HD1 PHE 116 -1.037 -8.212 -2.495 940 HD2 PHE 116 HD2 PHE 116 2.877 -6.467 -2.755 941 HE1 PHE 116 HE1 PHE 116 -1.745 -6.400 -0.955 942 HE2 PHE 116 HE2 PHE 116 2.172 -4.654 -1.218 943 HZ PHE 116 HZ PHE 116 -0.139 -4.619 -0.318 944 H LEU 117 HN LEU 117 2.345 -6.318 -5.470 945 HA LEU 117 HA LEU 117 0.531 -4.203 -4.835 946 1HB LEU 117 HB2 LEU 117 3.143 -4.398 -6.280 947 2HB LEU 117 HB1 LEU 117 2.193 -2.931 -6.506 948 HG LEU 117 HG LEU 117 3.063 -4.078 -3.835 949 1HD1 LEU 117 HD12 LEU 117 4.792 -2.947 -5.372 950 2HD1 LEU 117 HD11 LEU 117 3.879 -1.462 -5.105 951 3HD1 LEU 117 HD13 LEU 117 4.626 -2.291 -3.743 952 1HD2 LEU 117 HD21 LEU 117 1.033 -2.121 -4.605 953 2HD2 LEU 117 HD23 LEU 117 1.333 -2.859 -3.032 954 3HD2 LEU 117 HD22 LEU 117 2.242 -1.430 -3.524 955 H GLU 118 HN GLU 118 1.027 -6.091 -7.744 956 HA GLU 118 HA GLU 118 -0.268 -4.341 -9.600 957 1HB GLU 118 HB2 GLU 118 0.838 -6.930 -9.666 958 2HB GLU 118 HB1 GLU 118 -0.857 -7.145 -10.100 959 1HG GLU 118 HG2 GLU 118 0.010 -4.837 -11.479 960 2HG GLU 118 HG1 GLU 118 1.286 -6.037 -11.681 961 NH1 ARG 119 NH2 ARG 119 -5.332 -12.673 -7.790 962 NH2 ARG 119 NH1 ARG 119 -5.025 -12.500 -10.022 963 H ARG 119 HN ARG 119 -1.480 -6.987 -7.571 964 HA ARG 119 HA ARG 119 -4.241 -6.703 -8.293 965 1HB ARG 119 HB2 ARG 119 -3.011 -7.735 -5.722 966 2HB ARG 119 HB1 ARG 119 -4.669 -8.020 -6.252 967 1HG ARG 119 HG2 ARG 119 -3.053 -8.744 -8.439 968 2HG ARG 119 HG1 ARG 119 -2.235 -9.404 -7.023 969 1HD ARG 119 HD2 ARG 119 -3.882 -10.915 -6.621 970 2HD ARG 119 HD1 ARG 119 -5.165 -9.778 -7.038 971 HE ARG 119 HE ARG 119 -4.021 -10.334 -9.476 972 1HH1 ARG 119 HH21 ARG 119 -5.247 -12.305 -6.866 973 2HH1 ARG 119 HH22 ARG 119 -5.747 -13.573 -7.927 974 1HH2 ARG 119 HH11 ARG 119 -4.698 -11.991 -10.818 975 2HH2 ARG 119 HH12 ARG 119 -5.445 -13.401 -10.143 976 H LEU 120 HN LEU 120 -2.165 -4.797 -6.252 977 HA LEU 120 HA LEU 120 -4.266 -3.653 -4.602 978 1HB LEU 120 HB2 LEU 120 -1.390 -3.397 -4.904 979 2HB LEU 120 HB1 LEU 120 -2.148 -1.812 -4.765 980 HG LEU 120 HG LEU 120 -2.556 -4.133 -2.858 981 1HD1 LEU 120 HD12 LEU 120 -0.797 -1.715 -2.884 982 2HD1 LEU 120 HD11 LEU 120 -1.491 -2.218 -1.343 983 3HD1 LEU 120 HD13 LEU 120 -0.470 -3.331 -2.254 984 1HD2 LEU 120 HD21 LEU 120 -3.825 -1.440 -3.181 985 2HD2 LEU 120 HD23 LEU 120 -4.550 -2.962 -2.664 986 3HD2 LEU 120 HD22 LEU 120 -3.550 -2.037 -1.545 987 H LYS 121 HN LYS 121 -2.263 -2.129 -7.166 988 HA LYS 121 HA LYS 121 -3.768 0.194 -7.574 989 1HB LYS 121 HB2 LYS 121 -2.014 0.410 -8.989 990 2HB LYS 121 HB1 LYS 121 -1.754 -1.326 -9.016 991 1HG LYS 121 HG2 LYS 121 -2.161 -0.605 -11.275 992 2HG LYS 121 HG1 LYS 121 -3.580 -1.497 -10.759 993 1HD LYS 121 HD2 LYS 121 -4.423 0.919 -10.033 994 2HD LYS 121 HD1 LYS 121 -3.242 1.442 -11.230 995 1HE LYS 121 HE2 LYS 121 -4.367 -0.366 -12.754 996 2HE LYS 121 HE1 LYS 121 -5.716 -0.221 -11.626 997 1HZ LYS 121 HZ2 LYS 121 -4.506 2.219 -12.718 998 2HZ LYS 121 HZ1 LYS 121 -5.556 1.319 -13.703 999 3HZ LYS 121 HZ3 LYS 121 -6.105 1.936 -12.221 1000 H THR 122 HN THR 122 -4.219 -2.986 -9.020 1001 HA THR 122 HA THR 122 -6.365 -2.422 -10.759 1002 HB THR 122 HB THR 122 -6.976 -4.904 -10.038 1003 HG1 THR 122 HG1 THR 122 -5.798 -5.564 -8.510 1004 1HG2 THR 122 HG23 THR 122 -4.812 -3.736 -11.665 1005 2HG2 THR 122 HG22 THR 122 -4.587 -5.435 -11.249 1006 3HG2 THR 122 HG21 THR 122 -6.036 -4.921 -12.116 1007 H ILE 123 HN ILE 123 -6.497 -3.607 -7.423 1008 HA ILE 123 HA ILE 123 -9.229 -3.637 -6.941 1009 HB ILE 123 HB ILE 123 -6.897 -2.903 -5.187 1010 1HG1 ILE 123 HG12 ILE 123 -7.651 -5.304 -5.998 1011 2HG1 ILE 123 HG11 ILE 123 -7.148 -5.054 -4.326 1012 1HG2 ILE 123 HG21 ILE 123 -9.838 -2.736 -4.558 1013 2HG2 ILE 123 HG23 ILE 123 -8.663 -3.104 -3.296 1014 3HG2 ILE 123 HG22 ILE 123 -8.561 -1.581 -4.178 1015 1HD1 ILE 123 HD13 ILE 123 -10.033 -4.743 -5.152 1016 2HD1 ILE 123 HD12 ILE 123 -9.369 -6.317 -4.718 1017 3HD1 ILE 123 HD11 ILE 123 -9.376 -5.008 -3.537 1018 H MET 124 HN MET 124 -7.089 -0.801 -6.817 1019 HA MET 124 HA MET 124 -9.021 1.058 -5.871 1020 1HB MET 124 HB2 MET 124 -6.865 1.808 -7.844 1021 2HB MET 124 HB1 MET 124 -7.552 2.787 -6.555 1022 1HG MET 124 HG2 MET 124 -5.685 0.423 -6.270 1023 2HG MET 124 HG1 MET 124 -5.405 2.093 -5.792 1024 1HE MET 124 HE3 MET 124 -5.405 2.863 -4.023 1025 2HE MET 124 HE2 MET 124 -6.922 3.113 -3.183 1026 3HE MET 124 HE1 MET 124 -5.694 2.070 -2.471 1027 NH1 ARG 125 NH2 ARG 125 -10.652 0.403 -16.449 1028 NH2 ARG 125 NH1 ARG 125 -12.098 2.136 -16.506 1029 H ARG 125 HN ARG 125 -8.019 0.394 -9.230 1030 HA ARG 125 HA ARG 125 -10.160 2.029 -10.333 1031 1HB ARG 125 HB2 ARG 125 -7.803 1.268 -11.317 1032 2HB ARG 125 HB1 ARG 125 -8.776 -0.050 -11.968 1033 1HG ARG 125 HG2 ARG 125 -10.134 2.486 -12.324 1034 2HG ARG 125 HG1 ARG 125 -8.520 2.539 -13.036 1035 1HD ARG 125 HD2 ARG 125 -8.975 0.820 -14.537 1036 2HD ARG 125 HD1 ARG 125 -10.245 0.132 -13.525 1037 HE ARG 125 HE ARG 125 -11.254 2.602 -14.248 1038 1HH1 ARG 125 HH21 ARG 125 -9.957 -0.138 -15.981 1039 2HH1 ARG 125 HH22 ARG 125 -10.940 0.148 -17.372 1040 1HH2 ARG 125 HH11 ARG 125 -12.517 2.935 -16.073 1041 2HH2 ARG 125 HH12 ARG 125 -12.374 1.864 -17.428 1042 H GLU 126 HN GLU 126 -10.307 -0.986 -8.887 1043 HA GLU 126 HA GLU 126 -12.199 -2.149 -10.821 1044 1HB GLU 126 HB2 GLU 126 -10.535 -3.141 -8.690 1045 2HB GLU 126 HB1 GLU 126 -12.204 -3.647 -8.423 1046 1HG GLU 126 HG2 GLU 126 -11.105 -5.313 -9.812 1047 2HG GLU 126 HG1 GLU 126 -12.283 -4.447 -10.799 1048 H LYS 127 HN LYS 127 -12.354 -1.334 -7.318 1049 HA LYS 127 HA LYS 127 -15.300 -1.382 -7.495 1050 1HB LYS 127 HB2 LYS 127 -13.281 -1.441 -5.333 1051 2HB LYS 127 HB1 LYS 127 -14.782 -0.602 -4.944 1052 1HG LYS 127 HG2 LYS 127 -16.040 -2.511 -5.057 1053 2HG LYS 127 HG1 LYS 127 -15.055 -3.209 -6.345 1054 1HD LYS 127 HD2 LYS 127 -13.207 -3.378 -4.511 1055 2HD LYS 127 HD1 LYS 127 -14.549 -3.202 -3.379 1056 1HE LYS 127 HE2 LYS 127 -15.692 -5.100 -4.634 1057 2HE LYS 127 HE1 LYS 127 -14.154 -5.366 -5.455 1058 1HZ LYS 127 HZ1 LYS 127 -13.234 -5.352 -3.046 1059 2HZ LYS 127 HZ3 LYS 127 -14.832 -5.725 -2.618 1060 3HZ LYS 127 HZ2 LYS 127 -13.970 -6.755 -3.660 1061 OH TYR 128 OH TYR 128 -11.053 0.883 -2.016 1062 H TYR 128 HN TYR 128 -12.759 1.022 -7.465 1063 HA TYR 128 HA TYR 128 -14.680 3.129 -6.690 1064 1HB TYR 128 HB2 TYR 128 -11.796 3.489 -7.518 1065 2HB TYR 128 HB1 TYR 128 -12.800 4.600 -6.580 1066 HD1 TYR 128 HD2 TYR 128 -14.206 2.564 -4.844 1067 HD2 TYR 128 HD1 TYR 128 -10.072 3.007 -5.927 1068 HE1 TYR 128 HE2 TYR 128 -13.537 1.391 -2.767 1069 HE2 TYR 128 HE1 TYR 128 -9.404 1.832 -3.848 1070 HH TYR 128 HH TYR 128 -11.684 1.110 -1.331 1071 H SER 129 HN SER 129 -14.996 1.673 -9.285 1072 HA SER 129 HA SER 129 -14.388 3.791 -11.256 1073 1HB SER 129 HB2 SER 129 -14.134 1.304 -11.764 1074 2HB SER 129 HB1 SER 129 -15.893 1.206 -11.736 1075 HG SER 129 HG SER 129 -14.201 2.246 -13.625 1076 H LYS 130 HN LYS 130 -17.030 2.652 -9.295 1077 HA LYS 130 HA LYS 130 -18.894 4.423 -10.817 1078 1HB LYS 130 HB2 LYS 130 -19.237 1.773 -10.166 1079 2HB LYS 130 HB1 LYS 130 -20.061 2.585 -8.834 1080 1HG LYS 130 HG2 LYS 130 -21.719 2.329 -10.520 1081 2HG LYS 130 HG1 LYS 130 -21.214 4.016 -10.628 1082 1HD LYS 130 HD2 LYS 130 -19.412 2.759 -12.293 1083 2HD LYS 130 HD1 LYS 130 -20.889 1.837 -12.575 1084 1HE LYS 130 HE2 LYS 130 -22.077 3.724 -13.314 1085 2HE LYS 130 HE1 LYS 130 -20.956 4.846 -12.542 1086 1HZ LYS 130 HZ3 LYS 130 -19.918 3.060 -14.615 1087 2HZ LYS 130 HZ2 LYS 130 -20.862 4.384 -15.104 1088 3HZ LYS 130 HZ1 LYS 130 -19.441 4.636 -14.207 1089 H CYS 131 HN CYS 131 -16.915 5.108 -8.595 1090 HA CYS 131 HA CYS 131 -18.905 6.111 -6.604 1091 1HB CYS 131 HB2 CYS 131 -16.735 4.616 -6.031 1092 2HB CYS 131 HB1 CYS 131 -15.994 6.217 -5.991 1093 H SER 132 HN SER 132 -16.424 7.009 -8.899 1094 HA SER 132 HA SER 132 -16.601 9.845 -8.021 1095 1HB SER 132 HB2 SER 132 -14.404 9.824 -8.523 1096 2HB SER 132 HB1 SER 132 -14.533 8.201 -9.194 1097 HG SER 132 HG SER 132 -14.225 9.180 -11.027 1098 H SER 133 HN SER 133 -16.851 11.481 -9.805 1099 HA SER 133 HA SER 133 -18.825 10.479 -11.806 1100 1HB SER 133 HB2 SER 133 -19.784 12.204 -10.448 1101 2HB SER 133 HB1 SER 133 -18.345 13.210 -10.590 1102 HG SER 133 HG SER 133 -19.088 13.939 -12.412
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