NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
494274 | 2l77 | 17346 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -1.814 9.505 -11.153 2 H2 GLY 1 HT2 GLY 1 -2.375 8.104 -10.272 3 H3 GLY 1 HT3 GLY 1 -0.681 8.267 -10.667 4 HA2 GLY 1 HA1 GLY 1 -0.537 10.200 -9.270 5 HA3 GLY 1 HA2 GLY 1 -2.242 10.034 -8.873 6 H ILE 2 HN ILE 2 0.001 10.006 -7.054 7 HA ILE 2 HA ILE 2 -0.550 7.433 -5.780 8 HB ILE 2 HB ILE 2 1.979 7.502 -5.080 9 HG12 ILE 2 1HG1 ILE 2 3.439 8.259 -6.904 10 HG13 ILE 2 2HG1 ILE 2 2.015 8.866 -7.784 11 HG21 ILE 2 1HG2 ILE 2 2.510 5.974 -6.933 12 HG22 ILE 2 2HG2 ILE 2 1.049 6.524 -7.787 13 HG23 ILE 2 3HG2 ILE 2 0.902 5.652 -6.243 14 HD11 ILE 2 3HD1 ILE 2 1.588 10.475 -5.982 15 HD12 ILE 2 1HD1 ILE 2 3.216 10.683 -6.672 16 HD13 ILE 2 2HD1 ILE 2 3.012 9.868 -5.103 17 H HIS 3 HN HIS 3 -1.154 10.388 -5.417 18 HA HIS 3 HA HIS 3 -0.807 10.402 -2.555 19 HB2 HIS 3 HB1 HIS 3 0.392 12.454 -2.363 20 HB3 HIS 3 HB2 HIS 3 1.315 11.397 -3.459 21 HD1 HIS 3 HD1 HIS 3 0.445 14.782 -3.185 22 HD2 HIS 3 HD2 HIS 3 0.330 12.069 -6.329 23 HE1 HIS 3 HE1 HIS 3 0.413 16.178 -5.277 24 H LYS 4 HN LYS 4 -2.310 11.663 -1.507 25 HA LYS 4 HA LYS 4 -4.504 12.609 -3.156 26 HB2 LYS 4 HB1 LYS 4 -4.939 11.202 -1.173 27 HB3 LYS 4 HB2 LYS 4 -4.244 12.476 -0.142 28 HG2 LYS 4 HG1 LYS 4 -6.027 13.958 -0.600 29 HG3 LYS 4 HG2 LYS 4 -6.614 12.956 -1.950 30 HD2 LYS 4 HD1 LYS 4 -6.486 11.842 0.848 31 HD3 LYS 4 HD2 LYS 4 -7.854 12.860 0.338 32 HE2 LYS 4 HE1 LYS 4 -8.723 10.859 -0.295 33 HE3 LYS 4 HE2 LYS 4 -7.754 11.165 -1.757 34 HZ1 LYS 4 HZ1 LYS 4 -6.305 9.543 -1.235 35 HZ2 LYS 4 HZ2 LYS 4 -7.593 8.929 -0.326 36 HZ3 LYS 4 HZ3 LYS 4 -6.377 9.827 0.431 37 H GLN 5 HN GLN 5 -2.974 13.988 -0.247 38 HA GLN 5 HA GLN 5 -2.880 16.589 -1.611 39 HB2 GLN 5 HB1 GLN 5 -3.687 17.722 0.389 40 HB3 GLN 5 HB2 GLN 5 -4.885 16.541 -0.196 41 HG2 GLN 5 HG1 GLN 5 -2.941 15.637 1.873 42 HG3 GLN 5 HG2 GLN 5 -4.221 16.767 2.375 43 HE21 GLN 5 1HE2 GLN 5 -3.463 13.621 2.253 44 HE22 GLN 5 2HE2 GLN 5 -5.038 12.921 2.128 45 H LYS 6 HN LYS 6 -0.869 14.511 -0.934 46 HA LYS 6 HA LYS 6 0.728 15.064 1.224 47 HB2 LYS 6 HB1 LYS 6 1.384 14.206 -1.586 48 HB3 LYS 6 HB2 LYS 6 2.670 14.449 -0.378 49 HG2 LYS 6 HG1 LYS 6 1.470 12.817 1.103 50 HG3 LYS 6 HG2 LYS 6 0.372 12.483 -0.258 51 HD2 LYS 6 HD1 LYS 6 2.391 11.891 -1.634 52 HD3 LYS 6 HD2 LYS 6 3.371 12.040 -0.155 53 HE2 LYS 6 HE1 LYS 6 2.121 10.265 0.914 54 HE3 LYS 6 HE2 LYS 6 0.993 10.180 -0.461 55 HZ1 LYS 6 HZ1 LYS 6 3.244 8.682 -0.144 56 HZ2 LYS 6 HZ2 LYS 6 3.739 9.868 -1.243 57 HZ3 LYS 6 HZ3 LYS 6 2.398 8.899 -1.592 58 H GLU 7 HN GLU 7 0.416 16.886 -1.757 59 HA GLU 7 HA GLU 7 2.628 18.501 -1.716 60 HB2 GLU 7 HB1 GLU 7 -0.218 19.300 -2.371 61 HB3 GLU 7 HB2 GLU 7 1.233 20.236 -2.804 62 HG2 GLU 7 HG1 GLU 7 1.973 18.017 -3.966 63 HG3 GLU 7 HG2 GLU 7 0.236 17.632 -3.904 64 H LYS 8 HN LYS 8 -0.380 18.948 0.108 65 HA LYS 8 HA LYS 8 0.056 21.392 1.267 66 HB2 LYS 8 HB1 LYS 8 -1.342 18.907 2.149 67 HB3 LYS 8 HB2 LYS 8 -1.092 20.197 3.350 68 HG2 LYS 8 HG1 LYS 8 -3.280 20.401 2.311 69 HG3 LYS 8 HG2 LYS 8 -2.249 21.785 1.875 70 HD2 LYS 8 HD1 LYS 8 -1.859 20.927 -0.308 71 HD3 LYS 8 HD2 LYS 8 -2.549 19.342 0.115 72 HE2 LYS 8 HE1 LYS 8 -4.063 21.967 -0.038 73 HE3 LYS 8 HE2 LYS 8 -4.108 20.658 -1.244 74 HZ1 LYS 8 HZ1 LYS 8 -4.706 19.475 1.177 75 HZ2 LYS 8 HZ2 LYS 8 -5.778 19.808 -0.086 76 HZ3 LYS 8 HZ3 LYS 8 -5.582 20.922 1.172 77 H SER 9 HN SER 9 1.443 18.285 2.187 78 HA SER 9 HA SER 9 2.775 19.372 4.503 79 HB2 SER 9 HB1 SER 9 1.941 16.912 4.045 80 HB3 SER 9 HB2 SER 9 3.538 16.741 3.275 81 HG SER 9 HG SER 9 2.907 16.775 5.902 82 H ARG 10 HN ARG 10 4.967 19.762 4.746 83 HA ARG 10 HA ARG 10 6.378 20.349 2.261 84 HB2 ARG 10 HB1 ARG 10 6.647 21.222 5.113 85 HB3 ARG 10 HB2 ARG 10 8.057 21.340 4.033 86 HG2 ARG 10 HG1 ARG 10 7.052 22.934 2.680 87 HG3 ARG 10 HG2 ARG 10 5.408 22.488 3.200 88 HD2 ARG 10 HD1 ARG 10 7.506 23.888 4.888 89 HD3 ARG 10 HD2 ARG 10 6.078 24.646 4.144 90 HE ARG 10 HE ARG 10 6.161 23.157 6.578 91 HH11 ARG 10 1HH1 ARG 10 4.162 23.915 3.831 92 HH12 ARG 10 2HH1 ARG 10 2.671 23.657 4.680 93 HH21 ARG 10 1HH2 ARG 10 4.208 22.815 7.705 94 HH22 ARG 10 2HH2 ARG 10 2.701 23.033 6.884 95 H LEU 11 HN LEU 11 7.594 19.228 5.410 96 HA LEU 11 HA LEU 11 9.244 17.262 3.966 97 HB2 LEU 11 HB1 LEU 11 10.616 17.367 6.161 98 HB3 LEU 11 HB2 LEU 11 10.769 18.677 4.966 99 HG LEU 11 HG LEU 11 8.807 19.019 7.186 100 HD11 LEU 11 1HD1 LEU 11 10.556 19.887 8.665 101 HD12 LEU 11 2HD1 LEU 11 11.797 19.346 7.510 102 HD13 LEU 11 3HD1 LEU 11 10.773 18.151 8.341 103 HD21 LEU 11 3HD2 LEU 11 10.722 20.870 5.750 104 HD22 LEU 11 1HD2 LEU 11 9.522 21.353 6.972 105 HD23 LEU 11 2HD2 LEU 11 8.985 20.688 5.412 106 H GLN 12 HN GLN 12 7.266 17.802 6.844 107 HA GLN 12 HA GLN 12 7.502 15.402 8.147 108 HB2 GLN 12 HB1 GLN 12 5.427 17.475 7.917 109 HB3 GLN 12 HB2 GLN 12 4.809 15.870 8.379 110 HG2 GLN 12 HG1 GLN 12 5.367 17.362 10.300 111 HG3 GLN 12 HG2 GLN 12 6.218 15.798 10.306 112 HE21 GLN 12 1HE2 GLN 12 8.426 15.749 9.905 113 HE22 GLN 12 2HE2 GLN 12 9.414 17.164 9.992 114 H GLY 13 HN GLY 13 5.504 16.129 5.317 115 HA2 GLY 13 HA1 GLY 13 3.993 13.851 5.097 116 HA3 GLY 13 HA2 GLY 13 4.638 14.723 3.714 117 H GLY 14 HN GLY 14 7.417 14.221 4.358 118 HA2 GLY 14 HA1 GLY 14 7.940 11.975 2.874 119 HA3 GLY 14 HA2 GLY 14 9.046 12.623 4.075 120 H VAL 15 HN VAL 15 7.876 12.124 6.435 121 HA VAL 15 HA VAL 15 8.497 9.523 7.033 122 HB VAL 15 HB VAL 15 6.370 11.150 8.436 123 HG11 VAL 15 1HG1 VAL 15 6.999 9.834 10.414 124 HG12 VAL 15 2HG1 VAL 15 8.127 8.887 9.414 125 HG13 VAL 15 3HG1 VAL 15 6.376 8.803 9.104 126 HG21 VAL 15 3HG2 VAL 15 9.367 11.076 8.868 127 HG22 VAL 15 1HG2 VAL 15 8.192 11.936 9.891 128 HG23 VAL 15 2HG2 VAL 15 8.432 12.436 8.200 129 H LEU 16 HN LEU 16 5.308 10.818 6.173 130 HA LEU 16 HA LEU 16 3.710 8.632 6.587 131 HB2 LEU 16 HB1 LEU 16 2.988 10.883 5.786 132 HB3 LEU 16 HB2 LEU 16 3.569 10.434 4.164 133 HG LEU 16 HG LEU 16 1.895 8.645 4.068 134 HD11 LEU 16 1HD1 LEU 16 0.147 8.478 5.776 135 HD12 LEU 16 2HD1 LEU 16 0.995 9.698 6.755 136 HD13 LEU 16 3HD1 LEU 16 1.756 8.120 6.446 137 HD21 LEU 16 3HD2 LEU 16 0.741 11.342 4.806 138 HD22 LEU 16 1HD2 LEU 16 -0.098 10.063 3.897 139 HD23 LEU 16 2HD2 LEU 16 1.333 10.857 3.199 140 H VAL 17 HN VAL 17 5.429 9.376 3.549 141 HA VAL 17 HA VAL 17 4.771 7.164 2.072 142 HB VAL 17 HB VAL 17 7.517 8.421 2.147 143 HG11 VAL 17 1HG1 VAL 17 7.661 7.686 -0.194 144 HG12 VAL 17 2HG1 VAL 17 6.075 6.896 -0.033 145 HG13 VAL 17 3HG1 VAL 17 7.460 6.313 0.920 146 HG21 VAL 17 3HG2 VAL 17 5.071 9.191 0.540 147 HG22 VAL 17 1HG2 VAL 17 6.697 9.890 0.356 148 HG23 VAL 17 2HG2 VAL 17 5.793 10.126 1.871 149 H ASN 18 HN ASN 18 7.574 7.449 4.259 150 HA ASN 18 HA ASN 18 8.667 4.955 3.977 151 HB2 ASN 18 HB1 ASN 18 8.937 7.097 5.771 152 HB3 ASN 18 HB2 ASN 18 8.613 5.671 6.785 153 HD21 ASN 18 1HD2 ASN 18 11.022 7.458 5.634 154 HD22 ASN 18 2HD2 ASN 18 12.265 6.268 5.469 155 H GLU 19 HN GLU 19 6.231 5.843 6.431 156 HA GLU 19 HA GLU 19 5.792 3.384 7.556 157 HB2 GLU 19 HB1 GLU 19 3.782 5.561 6.945 158 HB3 GLU 19 HB2 GLU 19 3.455 4.169 8.006 159 HG2 GLU 19 HG1 GLU 19 5.202 4.882 9.530 160 HG3 GLU 19 HG2 GLU 19 5.626 6.231 8.449 161 H ILE 20 HN ILE 20 4.113 4.723 4.716 162 HA ILE 20 HA ILE 20 2.387 2.673 4.144 163 HB ILE 20 HB ILE 20 3.973 4.284 2.140 164 HG12 ILE 20 1HG1 ILE 20 2.681 5.646 3.738 165 HG13 ILE 20 2HG1 ILE 20 2.041 5.762 2.081 166 HG21 ILE 20 1HG2 ILE 20 2.149 3.768 0.575 167 HG22 ILE 20 2HG2 ILE 20 1.411 2.711 1.802 168 HG23 ILE 20 3HG2 ILE 20 3.000 2.301 1.113 169 HD11 ILE 20 3HD1 ILE 20 0.260 4.177 2.657 170 HD12 ILE 20 1HD1 ILE 20 0.236 5.602 3.722 171 HD13 ILE 20 2HD1 ILE 20 0.900 4.061 4.314 172 H LEU 21 HN LEU 21 5.795 2.922 3.179 173 HA LEU 21 HA LEU 21 6.055 0.708 1.584 174 HB2 LEU 21 HB1 LEU 21 8.079 1.438 3.697 175 HB3 LEU 21 HB2 LEU 21 8.370 0.682 2.112 176 HG LEU 21 HG LEU 21 7.604 3.551 2.671 177 HD11 LEU 21 1HD1 LEU 21 9.739 4.037 1.574 178 HD12 LEU 21 2HD1 LEU 21 10.041 2.293 1.396 179 HD13 LEU 21 3HD1 LEU 21 9.959 3.021 3.018 180 HD21 LEU 21 3HD2 LEU 21 7.888 2.134 0.012 181 HD22 LEU 21 1HD2 LEU 21 7.670 3.885 0.243 182 HD23 LEU 21 2HD2 LEU 21 6.376 2.757 0.714 183 H ASN 22 HN ASN 22 6.336 0.793 5.133 184 HA ASN 22 HA ASN 22 6.913 -1.835 5.649 185 HB2 ASN 22 HB1 ASN 22 5.767 0.389 7.111 186 HB3 ASN 22 HB2 ASN 22 5.019 -1.150 7.606 187 HD21 ASN 22 1HD2 ASN 22 8.086 0.543 7.227 188 HD22 ASN 22 2HD2 ASN 22 8.956 -0.387 8.395 189 H HIS 23 HN HIS 23 3.614 -0.476 5.558 190 HA HIS 23 HA HIS 23 2.178 -2.804 5.823 191 HB2 HIS 23 HB1 HIS 23 1.443 -0.501 4.000 192 HB3 HIS 23 HB2 HIS 23 0.327 -1.677 4.733 193 HD1 HIS 23 HD1 HIS 23 2.385 1.357 5.550 194 HD2 HIS 23 HD2 HIS 23 -0.317 -1.191 7.414 195 HE1 HIS 23 HE1 HIS 23 1.780 2.485 7.714 196 H MET 24 HN MET 24 3.047 -1.270 2.717 197 HA MET 24 HA MET 24 2.106 -3.186 0.993 198 HB2 MET 24 HB1 MET 24 4.731 -1.719 0.646 199 HB3 MET 24 HB2 MET 24 3.687 -2.375 -0.638 200 HG2 MET 24 HG1 MET 24 2.195 -0.559 1.028 201 HG3 MET 24 HG2 MET 24 3.685 0.221 0.444 202 HE1 MET 24 HE1 MET 24 0.330 -1.504 -2.236 203 HE2 MET 24 HE2 MET 24 0.233 -1.346 -0.466 204 HE3 MET 24 HE3 MET 24 1.338 -2.536 -1.195 205 H LYS 25 HN LYS 25 5.438 -3.036 2.265 206 HA LYS 25 HA LYS 25 6.448 -5.347 1.198 207 HB2 LYS 25 HB1 LYS 25 6.939 -4.118 3.917 208 HB3 LYS 25 HB2 LYS 25 7.901 -5.465 3.261 209 HG2 LYS 25 HG1 LYS 25 8.530 -4.033 1.339 210 HG3 LYS 25 HG2 LYS 25 7.639 -2.685 2.086 211 HD2 LYS 25 HD1 LYS 25 9.107 -2.741 4.023 212 HD3 LYS 25 HD2 LYS 25 9.956 -4.163 3.371 213 HE2 LYS 25 HE1 LYS 25 10.081 -2.316 1.299 214 HE3 LYS 25 HE2 LYS 25 10.301 -1.324 2.761 215 HZ1 LYS 25 HZ1 LYS 25 12.182 -2.533 3.375 216 HZ2 LYS 25 HZ2 LYS 25 12.361 -2.339 1.704 217 HZ3 LYS 25 HZ3 LYS 25 11.838 -3.820 2.333 218 H ARG 26 HN ARG 26 4.787 -5.052 4.338 219 HA ARG 26 HA ARG 26 4.849 -7.662 5.169 220 HB2 ARG 26 HB1 ARG 26 2.601 -5.653 5.426 221 HB3 ARG 26 HB2 ARG 26 2.667 -7.194 6.315 222 HG2 ARG 26 HG1 ARG 26 4.845 -5.103 6.482 223 HG3 ARG 26 HG2 ARG 26 3.438 -5.132 7.572 224 HD2 ARG 26 HD1 ARG 26 4.063 -7.201 8.510 225 HD3 ARG 26 HD2 ARG 26 5.195 -7.558 7.183 226 HE ARG 26 HE ARG 26 6.133 -5.257 8.396 227 HH11 ARG 26 1HH1 ARG 26 5.492 -8.548 9.336 228 HH12 ARG 26 2HH1 ARG 26 6.732 -8.581 10.545 229 HH21 ARG 26 1HH2 ARG 26 7.767 -5.289 9.984 230 HH22 ARG 26 2HH2 ARG 26 8.026 -6.728 10.914 231 H ALA 27 HN ALA 27 2.735 -6.210 2.761 232 HA ALA 27 HA ALA 27 0.893 -8.279 2.447 233 HB1 ALA 27 HB1 ALA 27 0.492 -7.366 0.198 234 HB2 ALA 27 HB2 ALA 27 1.961 -6.374 0.354 235 HB3 ALA 27 HB3 ALA 27 0.576 -6.089 1.435 236 H THR 28 HN THR 28 4.002 -7.752 0.808 237 HA THR 28 HA THR 28 3.852 -10.043 -0.842 238 HB THR 28 HB THR 28 6.193 -9.706 -1.306 239 HG1 THR 28 HG1 THR 28 6.311 -7.728 0.721 240 HG21 THR 28 3HG2 THR 28 4.644 -8.107 -2.328 241 HG22 THR 28 1HG2 THR 28 6.207 -7.337 -1.964 242 HG23 THR 28 2HG2 THR 28 4.804 -7.044 -0.910 243 H GLN 29 HN GLN 29 4.652 -9.607 2.478 244 HA GLN 29 HA GLN 29 6.174 -12.029 2.752 245 HB2 GLN 29 HB1 GLN 29 5.154 -9.905 4.574 246 HB3 GLN 29 HB2 GLN 29 5.515 -11.497 5.285 247 HG2 GLN 29 HG1 GLN 29 7.471 -10.214 5.551 248 HG3 GLN 29 HG2 GLN 29 7.796 -11.319 4.193 249 HE21 GLN 29 1HE2 GLN 29 8.208 -10.497 2.212 250 HE22 GLN 29 2HE2 GLN 29 8.316 -8.807 1.861 251 H ILE 30 HN ILE 30 2.902 -11.327 2.438 252 HA ILE 30 HA ILE 30 2.206 -14.015 3.384 253 HB ILE 30 HB ILE 30 0.502 -11.584 3.923 254 HG12 ILE 30 1HG1 ILE 30 2.546 -11.596 5.298 255 HG13 ILE 30 2HG1 ILE 30 1.080 -11.866 6.271 256 HG21 ILE 30 1HG2 ILE 30 -0.841 -13.125 5.287 257 HG22 ILE 30 2HG2 ILE 30 0.209 -14.468 4.778 258 HG23 ILE 30 3HG2 ILE 30 -0.791 -13.617 3.578 259 HD11 ILE 30 3HD1 ILE 30 1.554 -14.271 6.317 260 HD12 ILE 30 1HD1 ILE 30 2.905 -13.325 6.987 261 HD13 ILE 30 2HD1 ILE 30 3.020 -14.000 5.345 262 HA PRO 31 HA PRO 31 0.636 -13.051 -0.906 263 HB2 PRO 31 HB1 PRO 31 1.696 -15.290 -2.071 264 HB3 PRO 31 HB2 PRO 31 2.600 -13.764 -1.913 265 HG2 PRO 31 HG1 PRO 31 2.713 -16.236 -0.206 266 HG3 PRO 31 HG2 PRO 31 4.043 -15.218 -0.808 267 HD2 PRO 31 HD1 PRO 31 3.091 -15.023 1.734 268 HD3 PRO 31 HD2 PRO 31 3.741 -13.621 0.850 269 H SER 32 HN SER 32 0.066 -15.168 1.558 270 HA SER 32 HA SER 32 -1.277 -17.337 0.558 271 HB2 SER 32 HB1 SER 32 -0.950 -17.077 2.937 272 HB3 SER 32 HB2 SER 32 -1.977 -15.623 2.959 273 HG SER 32 HG SER 32 -2.743 -18.322 2.531 274 H TYR 33 HN TYR 33 -2.487 -14.036 0.923 275 HA TYR 33 HA TYR 33 -5.153 -14.356 0.378 276 HB2 TYR 33 HB1 TYR 33 -5.128 -12.081 -0.551 277 HB3 TYR 33 HB2 TYR 33 -4.177 -12.202 0.949 278 HD1 TYR 33 HD1 TYR 33 -3.857 -12.129 -2.766 279 HD2 TYR 33 HD2 TYR 33 -1.920 -11.541 0.976 280 HE1 TYR 33 HE1 TYR 33 -1.913 -11.171 -3.930 281 HE2 TYR 33 HE2 TYR 33 0.029 -10.583 -0.177 282 HH TYR 33 HH TYR 33 0.950 -10.081 -2.131 283 H LYS 34 HN LYS 34 -2.462 -14.653 -1.807 284 HA LYS 34 HA LYS 34 -3.593 -14.324 -4.282 285 HB2 LYS 34 HB1 LYS 34 -1.560 -16.337 -3.313 286 HB3 LYS 34 HB2 LYS 34 -2.009 -16.181 -5.029 287 HG2 LYS 34 HG1 LYS 34 -1.134 -13.752 -3.508 288 HG3 LYS 34 HG2 LYS 34 0.083 -14.925 -4.068 289 HD2 LYS 34 HD1 LYS 34 -1.108 -14.725 -6.362 290 HD3 LYS 34 HD2 LYS 34 -1.822 -13.240 -5.688 291 HE2 LYS 34 HE1 LYS 34 1.153 -13.823 -5.818 292 HE3 LYS 34 HE2 LYS 34 0.259 -12.844 -7.006 293 HZ1 LYS 34 HZ1 LYS 34 0.384 -12.228 -4.097 294 HZ2 LYS 34 HZ2 LYS 34 -0.268 -11.258 -5.319 295 HZ3 LYS 34 HZ3 LYS 34 1.399 -11.534 -5.259 296 H LYS 35 HN LYS 35 -3.765 -17.187 -2.202 297 HA LYS 35 HA LYS 35 -5.077 -18.908 -3.956 298 HB2 LYS 35 HB1 LYS 35 -4.959 -18.667 -0.969 299 HB3 LYS 35 HB2 LYS 35 -6.075 -19.836 -1.713 300 HG2 LYS 35 HG1 LYS 35 -3.216 -19.824 -2.590 301 HG3 LYS 35 HG2 LYS 35 -3.623 -20.519 -1.003 302 HD2 LYS 35 HD1 LYS 35 -5.230 -21.310 -3.412 303 HD3 LYS 35 HD2 LYS 35 -3.615 -22.020 -3.168 304 HE2 LYS 35 HE1 LYS 35 -4.257 -22.881 -1.007 305 HE3 LYS 35 HE2 LYS 35 -5.820 -22.032 -1.086 306 HZ1 LYS 35 HZ1 LYS 35 -4.950 -24.474 -2.452 307 HZ2 LYS 35 HZ2 LYS 35 -6.012 -23.454 -3.284 308 HZ3 LYS 35 HZ3 LYS 35 -6.452 -24.088 -1.777 309 H LEU 36 HN LEU 36 -6.379 -16.452 -1.773 310 HA LEU 36 HA LEU 36 -9.088 -17.033 -2.011 311 HB2 LEU 36 HB1 LEU 36 -7.915 -14.258 -1.822 312 HB3 LEU 36 HB2 LEU 36 -9.519 -14.799 -1.269 313 HG LEU 36 HG LEU 36 -6.881 -15.656 -0.064 314 HD11 LEU 36 1HD1 LEU 36 -7.518 -14.239 1.830 315 HD12 LEU 36 2HD1 LEU 36 -8.949 -13.685 0.928 316 HD13 LEU 36 3HD1 LEU 36 -7.317 -13.289 0.339 317 HD21 LEU 36 3HD2 LEU 36 -9.738 -16.120 0.816 318 HD22 LEU 36 1HD2 LEU 36 -8.278 -16.584 1.722 319 HD23 LEU 36 2HD2 LEU 36 -8.631 -17.346 0.153 320 H ILE 37 HN ILE 37 -7.446 -14.365 -3.718 321 HA ILE 37 HA ILE 37 -9.449 -13.846 -5.557 322 HB ILE 37 HB ILE 37 -7.623 -12.914 -7.018 323 HG12 ILE 37 1HG1 ILE 37 -5.879 -13.827 -4.714 324 HG13 ILE 37 2HG1 ILE 37 -5.868 -14.513 -6.357 325 HG21 ILE 37 1HG2 ILE 37 -7.044 -11.103 -5.459 326 HG22 ILE 37 2HG2 ILE 37 -7.629 -12.099 -4.105 327 HG23 ILE 37 3HG2 ILE 37 -8.765 -11.546 -5.359 328 HD11 ILE 37 3HD1 ILE 37 -5.119 -12.355 -7.251 329 HD12 ILE 37 1HD1 ILE 37 -3.995 -12.977 -6.020 330 HD13 ILE 37 2HD1 ILE 37 -5.131 -11.670 -5.609 331 H MET 38 HN MET 38 -6.935 -16.287 -5.628 332 HA MET 38 HA MET 38 -7.384 -17.044 -8.354 333 HB2 MET 38 HB1 MET 38 -5.881 -18.298 -6.060 334 HB3 MET 38 HB2 MET 38 -6.043 -19.108 -7.637 335 HG2 MET 38 HG1 MET 38 -5.052 -16.292 -7.587 336 HG3 MET 38 HG2 MET 38 -3.956 -17.583 -7.038 337 HE1 MET 38 HE1 MET 38 -2.553 -16.962 -10.612 338 HE2 MET 38 HE2 MET 38 -2.170 -17.165 -8.886 339 HE3 MET 38 HE3 MET 38 -3.118 -15.760 -9.428 340 H TYR 39 HN TYR 39 -7.740 -19.590 -8.637 341 HA TYR 39 HA TYR 39 -10.451 -20.056 -8.168 342 HB2 TYR 39 HB1 TYR 39 -10.063 -22.314 -8.974 343 HB3 TYR 39 HB2 TYR 39 -9.152 -21.142 -9.957 344 HD1 TYR 39 HD2 TYR 39 -6.689 -20.959 -9.671 345 HD2 TYR 39 HD1 TYR 39 -8.928 -23.991 -7.702 346 HE1 TYR 39 HE2 TYR 39 -4.613 -22.211 -9.253 347 HE2 TYR 39 HE1 TYR 39 -6.859 -25.252 -7.276 348 HH TYR 39 HH TYR 39 -4.614 -25.177 -7.331 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 0.739 23.013 18.685 2 H2 GLY 1 HT2 GLY 1 1.670 22.527 20.080 3 H3 GLY 1 HT3 GLY 1 2.453 22.714 18.529 4 HA2 GLY 1 HA1 GLY 1 1.958 25.052 18.557 5 HA3 GLY 1 HA2 GLY 1 1.172 24.862 20.118 6 H ILE 2 HN ILE 2 4.072 23.131 19.185 7 HA ILE 2 HA ILE 2 5.544 24.649 21.237 8 HB ILE 2 HB ILE 2 7.039 22.638 21.360 9 HG12 ILE 2 1HG1 ILE 2 4.796 21.227 19.907 10 HG13 ILE 2 2HG1 ILE 2 6.277 21.780 19.090 11 HG21 ILE 2 1HG2 ILE 2 5.486 21.310 22.729 12 HG22 ILE 2 2HG2 ILE 2 4.120 22.216 22.035 13 HG23 ILE 2 3HG2 ILE 2 5.325 23.055 23.041 14 HD11 ILE 2 3HD1 ILE 2 7.622 20.351 20.560 15 HD12 ILE 2 1HD1 ILE 2 6.410 19.407 19.662 16 HD13 ILE 2 2HD1 ILE 2 6.141 19.798 21.378 17 H HIS 3 HN HIS 3 5.507 23.602 17.936 18 HA HIS 3 HA HIS 3 7.946 25.158 17.451 19 HB2 HIS 3 HB1 HIS 3 8.543 23.423 15.674 20 HB3 HIS 3 HB2 HIS 3 8.807 22.967 17.374 21 HD1 HIS 3 HD1 HIS 3 5.358 22.842 15.914 22 HD2 HIS 3 HD2 HIS 3 8.473 20.237 16.795 23 HE1 HIS 3 HE1 HIS 3 4.384 20.533 15.705 24 H LYS 4 HN LYS 4 8.175 25.843 15.191 25 HA LYS 4 HA LYS 4 5.545 26.171 13.904 26 HB2 LYS 4 HB1 LYS 4 7.941 28.023 13.864 27 HB3 LYS 4 HB2 LYS 4 6.426 28.283 12.966 28 HG2 LYS 4 HG1 LYS 4 5.314 28.113 15.318 29 HG3 LYS 4 HG2 LYS 4 6.954 28.462 15.916 30 HD2 LYS 4 HD1 LYS 4 7.023 30.555 14.817 31 HD3 LYS 4 HD2 LYS 4 5.609 30.162 13.810 32 HE2 LYS 4 HE1 LYS 4 4.194 30.145 15.840 33 HE3 LYS 4 HE2 LYS 4 5.613 30.598 16.814 34 HZ1 LYS 4 HZ1 LYS 4 5.349 32.714 16.258 35 HZ2 LYS 4 HZ2 LYS 4 3.863 32.307 15.556 36 HZ3 LYS 4 HZ3 LYS 4 5.260 32.364 14.604 37 H GLN 5 HN GLN 5 8.873 25.275 13.490 38 HA GLN 5 HA GLN 5 8.927 25.298 10.653 39 HB2 GLN 5 HB1 GLN 5 10.986 25.338 11.938 40 HB3 GLN 5 HB2 GLN 5 10.595 23.755 12.653 41 HG2 GLN 5 HG1 GLN 5 11.106 22.603 10.730 42 HG3 GLN 5 HG2 GLN 5 10.794 24.004 9.677 43 HE21 GLN 5 1HE2 GLN 5 13.087 22.436 11.776 44 HE22 GLN 5 2HE2 GLN 5 14.467 23.358 11.295 45 H LYS 6 HN LYS 6 8.897 22.497 12.864 46 HA LYS 6 HA LYS 6 8.380 20.517 11.041 47 HB2 LYS 6 HB1 LYS 6 7.770 20.877 13.937 48 HB3 LYS 6 HB2 LYS 6 6.983 19.525 13.087 49 HG2 LYS 6 HG1 LYS 6 8.909 18.562 13.954 50 HG3 LYS 6 HG2 LYS 6 9.367 18.941 12.276 51 HD2 LYS 6 HD1 LYS 6 10.525 20.943 12.993 52 HD3 LYS 6 HD2 LYS 6 9.961 20.713 14.666 53 HE2 LYS 6 HE1 LYS 6 11.307 18.784 14.962 54 HE3 LYS 6 HE2 LYS 6 11.632 18.650 13.217 55 HZ1 LYS 6 HZ1 LYS 6 13.457 19.607 14.678 56 HZ2 LYS 6 HZ2 LYS 6 12.509 21.003 14.793 57 HZ3 LYS 6 HZ3 LYS 6 13.062 20.478 13.282 58 H GLU 7 HN GLU 7 6.095 22.753 12.512 59 HA GLU 7 HA GLU 7 3.679 21.624 11.878 60 HB2 GLU 7 HB1 GLU 7 4.521 24.526 11.757 61 HB3 GLU 7 HB2 GLU 7 2.832 23.985 11.610 62 HG2 GLU 7 HG1 GLU 7 4.527 23.225 13.979 63 HG3 GLU 7 HG2 GLU 7 3.676 24.787 13.903 64 H LYS 8 HN LYS 8 5.635 23.721 9.767 65 HA LYS 8 HA LYS 8 4.033 23.828 7.547 66 HB2 LYS 8 HB1 LYS 8 6.995 23.834 7.955 67 HB3 LYS 8 HB2 LYS 8 6.371 23.703 6.293 68 HG2 LYS 8 HG1 LYS 8 6.796 26.011 6.739 69 HG3 LYS 8 HG2 LYS 8 5.031 25.778 6.717 70 HD2 LYS 8 HD1 LYS 8 4.963 25.758 9.143 71 HD3 LYS 8 HD2 LYS 8 6.739 25.860 9.222 72 HE2 LYS 8 HE1 LYS 8 5.090 27.959 7.810 73 HE3 LYS 8 HE2 LYS 8 5.385 28.026 9.564 74 HZ1 LYS 8 HZ1 LYS 8 7.572 27.815 7.565 75 HZ2 LYS 8 HZ2 LYS 8 7.699 28.202 9.207 76 HZ3 LYS 8 HZ3 LYS 8 6.986 29.298 8.134 77 H SER 9 HN SER 9 6.136 21.192 8.572 78 HA SER 9 HA SER 9 6.296 19.020 7.918 79 HB2 SER 9 HB1 SER 9 3.716 19.338 8.176 80 HB3 SER 9 HB2 SER 9 3.710 19.279 6.397 81 HG SER 9 HG SER 9 3.576 17.224 7.854 82 H ARG 10 HN ARG 10 7.416 21.096 6.260 83 HA ARG 10 HA ARG 10 6.966 20.683 3.523 84 HB2 ARG 10 HB1 ARG 10 8.153 22.637 4.272 85 HB3 ARG 10 HB2 ARG 10 9.425 21.633 5.009 86 HG2 ARG 10 HG1 ARG 10 10.178 22.641 2.913 87 HG3 ARG 10 HG2 ARG 10 10.118 20.865 2.796 88 HD2 ARG 10 HD1 ARG 10 7.940 21.020 1.657 89 HD3 ARG 10 HD2 ARG 10 8.019 22.796 1.759 90 HE ARG 10 HE ARG 10 9.346 21.119 -0.140 91 HH11 ARG 10 1HH1 ARG 10 9.596 24.110 1.623 92 HH12 ARG 10 2HH1 ARG 10 10.616 24.870 0.445 93 HH21 ARG 10 1HH2 ARG 10 10.688 22.107 -1.697 94 HH22 ARG 10 2HH2 ARG 10 11.235 23.730 -1.442 95 H LEU 11 HN LEU 11 9.330 19.218 5.730 96 HA LEU 11 HA LEU 11 9.915 17.212 3.655 97 HB2 LEU 11 HB1 LEU 11 11.963 16.772 5.161 98 HB3 LEU 11 HB2 LEU 11 11.948 18.214 4.117 99 HG LEU 11 HG LEU 11 11.021 18.500 6.939 100 HD11 LEU 11 1HD1 LEU 11 13.321 18.851 7.707 101 HD12 LEU 11 2HD1 LEU 11 13.927 18.318 6.121 102 HD13 LEU 11 3HD1 LEU 11 13.057 17.174 7.171 103 HD21 LEU 11 3HD2 LEU 11 12.615 20.243 5.050 104 HD22 LEU 11 1HD2 LEU 11 12.060 20.703 6.677 105 HD23 LEU 11 2HD2 LEU 11 10.874 20.379 5.390 106 H GLN 12 HN GLN 12 9.118 17.704 7.047 107 HA GLN 12 HA GLN 12 9.329 15.174 8.075 108 HB2 GLN 12 HB1 GLN 12 7.528 17.484 8.599 109 HB3 GLN 12 HB2 GLN 12 7.066 15.915 9.303 110 HG2 GLN 12 HG1 GLN 12 8.438 17.453 10.772 111 HG3 GLN 12 HG2 GLN 12 9.042 15.789 10.582 112 HE21 GLN 12 1HE2 GLN 12 10.883 15.429 9.317 113 HE22 GLN 12 2HE2 GLN 12 11.994 16.699 8.942 114 H GLY 13 HN GLY 13 6.643 16.497 6.172 115 HA2 GLY 13 HA1 GLY 13 4.816 14.456 6.323 116 HA3 GLY 13 HA2 GLY 13 5.073 15.421 4.877 117 H GLY 14 HN GLY 14 7.674 14.596 4.226 118 HA2 GLY 14 HA1 GLY 14 7.259 12.417 2.612 119 HA3 GLY 14 HA2 GLY 14 8.843 12.895 3.207 120 H VAL 15 HN VAL 15 8.474 12.392 5.940 121 HA VAL 15 HA VAL 15 9.249 9.780 6.212 122 HB VAL 15 HB VAL 15 7.672 11.322 8.277 123 HG11 VAL 15 1HG1 VAL 15 8.904 9.949 9.901 124 HG12 VAL 15 2HG1 VAL 15 9.660 9.058 8.558 125 HG13 VAL 15 3HG1 VAL 15 7.902 8.955 8.817 126 HG21 VAL 15 3HG2 VAL 15 10.649 11.290 7.734 127 HG22 VAL 15 1HG2 VAL 15 9.855 12.089 9.111 128 HG23 VAL 15 2HG2 VAL 15 9.541 12.654 7.453 129 H LEU 16 HN LEU 16 5.953 11.071 6.419 130 HA LEU 16 HA LEU 16 4.558 8.864 7.243 131 HB2 LEU 16 HB1 LEU 16 3.569 11.076 6.822 132 HB3 LEU 16 HB2 LEU 16 3.735 10.800 5.071 133 HG LEU 16 HG LEU 16 2.096 9.020 5.160 134 HD11 LEU 16 1HD1 LEU 16 0.906 8.462 7.226 135 HD12 LEU 16 2HD1 LEU 16 1.976 9.555 8.134 136 HD13 LEU 16 3HD1 LEU 16 2.644 8.103 7.353 137 HD21 LEU 16 3HD2 LEU 16 1.155 11.480 6.652 138 HD22 LEU 16 1HD2 LEU 16 0.115 10.315 5.800 139 HD23 LEU 16 2HD2 LEU 16 1.276 11.306 4.885 140 H VAL 17 HN VAL 17 5.271 9.695 3.848 141 HA VAL 17 HA VAL 17 4.187 7.520 2.584 142 HB VAL 17 HB VAL 17 6.835 8.778 1.852 143 HG11 VAL 17 1HG1 VAL 17 6.247 8.113 -0.440 144 HG12 VAL 17 2HG1 VAL 17 4.778 7.320 0.178 145 HG13 VAL 17 3HG1 VAL 17 6.383 6.708 0.643 146 HG21 VAL 17 3HG2 VAL 17 4.021 9.599 1.096 147 HG22 VAL 17 1HG2 VAL 17 5.518 10.303 0.441 148 HG23 VAL 17 2HG2 VAL 17 5.126 10.493 2.167 149 H ASN 18 HN ASN 18 7.522 7.758 3.821 150 HA ASN 18 HA ASN 18 8.467 5.275 3.156 151 HB2 ASN 18 HB1 ASN 18 9.283 7.374 4.836 152 HB3 ASN 18 HB2 ASN 18 9.275 5.922 5.865 153 HD21 ASN 18 1HD2 ASN 18 11.326 7.715 4.310 154 HD22 ASN 18 2HD2 ASN 18 12.415 6.546 3.656 155 H GLU 19 HN GLU 19 6.898 6.093 6.257 156 HA GLU 19 HA GLU 19 6.813 3.605 7.400 157 HB2 GLU 19 HB1 GLU 19 4.720 5.787 7.486 158 HB3 GLU 19 HB2 GLU 19 4.727 4.367 8.559 159 HG2 GLU 19 HG1 GLU 19 7.145 6.131 8.397 160 HG3 GLU 19 HG2 GLU 19 5.735 6.638 9.359 161 H ILE 20 HN ILE 20 4.353 5.007 5.241 162 HA ILE 20 HA ILE 20 2.529 2.967 5.169 163 HB ILE 20 HB ILE 20 3.433 4.636 2.820 164 HG12 ILE 20 1HG1 ILE 20 2.695 5.949 4.771 165 HG13 ILE 20 2HG1 ILE 20 1.580 6.107 3.393 166 HG21 ILE 20 1HG2 ILE 20 1.217 4.153 1.870 167 HG22 ILE 20 2HG2 ILE 20 0.885 3.061 3.235 168 HG23 ILE 20 3HG2 ILE 20 2.188 2.677 2.085 169 HD11 ILE 20 3HD1 ILE 20 0.056 4.497 4.442 170 HD12 ILE 20 1HD1 ILE 20 0.363 5.894 5.502 171 HD13 ILE 20 2HD1 ILE 20 1.170 4.340 5.821 172 H LEU 21 HN LEU 21 5.479 3.256 3.217 173 HA LEU 21 HA LEU 21 5.232 1.085 1.562 174 HB2 LEU 21 HB1 LEU 21 7.806 1.769 2.976 175 HB3 LEU 21 HB2 LEU 21 7.599 1.055 1.359 176 HG LEU 21 HG LEU 21 7.053 3.905 2.197 177 HD11 LEU 21 1HD1 LEU 21 8.750 4.425 0.509 178 HD12 LEU 21 2HD1 LEU 21 8.970 2.686 0.203 179 HD13 LEU 21 3HD1 LEU 21 9.397 3.371 1.789 180 HD21 LEU 21 3HD2 LEU 21 6.497 2.558 -0.454 181 HD22 LEU 21 1HD2 LEU 21 6.368 4.301 -0.123 182 HD23 LEU 21 2HD2 LEU 21 5.278 3.157 0.695 183 H ASN 22 HN ASN 22 6.580 1.080 4.857 184 HA ASN 22 HA ASN 22 7.281 -1.556 5.107 185 HB2 ASN 22 HB1 ASN 22 6.644 0.624 6.902 186 HB3 ASN 22 HB2 ASN 22 6.070 -0.926 7.562 187 HD21 ASN 22 1HD2 ASN 22 8.888 0.783 6.319 188 HD22 ASN 22 2HD2 ASN 22 10.067 -0.175 7.143 189 H HIS 23 HN HIS 23 4.113 -0.212 6.055 190 HA HIS 23 HA HIS 23 2.819 -2.553 6.686 191 HB2 HIS 23 HB1 HIS 23 1.575 -0.210 5.227 192 HB3 HIS 23 HB2 HIS 23 0.729 -1.411 6.233 193 HD1 HIS 23 HD1 HIS 23 2.948 1.610 6.472 194 HD2 HIS 23 HD2 HIS 23 0.919 -0.995 8.994 195 HE1 HIS 23 HE1 HIS 23 3.025 2.680 8.747 196 H MET 24 HN MET 24 2.706 -0.942 3.501 197 HA MET 24 HA MET 24 1.284 -2.822 2.099 198 HB2 MET 24 HB1 MET 24 3.671 -1.291 1.037 199 HB3 MET 24 HB2 MET 24 2.340 -1.983 0.079 200 HG2 MET 24 HG1 MET 24 1.403 -0.176 2.169 201 HG3 MET 24 HG2 MET 24 2.520 0.611 1.028 202 HE1 MET 24 HE1 MET 24 0.671 0.830 -2.239 203 HE2 MET 24 HE2 MET 24 2.173 0.018 -1.736 204 HE3 MET 24 HE3 MET 24 1.779 1.634 -1.103 205 H LYS 25 HN LYS 25 4.845 -2.677 2.300 206 HA LYS 25 HA LYS 25 5.480 -4.958 0.920 207 HB2 LYS 25 HB1 LYS 25 6.794 -3.876 3.425 208 HB3 LYS 25 HB2 LYS 25 7.516 -5.094 2.347 209 HG2 LYS 25 HG1 LYS 25 6.622 -2.483 1.189 210 HG3 LYS 25 HG2 LYS 25 8.129 -2.539 2.134 211 HD2 LYS 25 HD1 LYS 25 7.587 -4.507 -0.090 212 HD3 LYS 25 HD2 LYS 25 8.276 -2.898 -0.417 213 HE2 LYS 25 HE1 LYS 25 10.233 -3.353 0.780 214 HE3 LYS 25 HE2 LYS 25 9.486 -4.700 1.674 215 HZ1 LYS 25 HZ1 LYS 25 9.409 -5.948 -0.425 216 HZ2 LYS 25 HZ2 LYS 25 10.990 -5.544 0.019 217 HZ3 LYS 25 HZ3 LYS 25 10.212 -4.683 -1.214 218 H ARG 26 HN ARG 26 4.875 -4.751 4.428 219 HA ARG 26 HA ARG 26 5.179 -7.385 5.125 220 HB2 ARG 26 HB1 ARG 26 3.182 -5.346 6.124 221 HB3 ARG 26 HB2 ARG 26 3.410 -6.940 6.885 222 HG2 ARG 26 HG1 ARG 26 5.979 -5.777 6.618 223 HG3 ARG 26 HG2 ARG 26 4.899 -4.516 7.261 224 HD2 ARG 26 HD1 ARG 26 4.097 -6.537 8.807 225 HD3 ARG 26 HD2 ARG 26 5.743 -7.119 8.458 226 HE ARG 26 HE ARG 26 6.573 -5.450 9.794 227 HH11 ARG 26 1HH1 ARG 26 3.240 -4.759 9.058 228 HH12 ARG 26 2HH1 ARG 26 3.134 -3.435 10.171 229 HH21 ARG 26 1HH2 ARG 26 6.445 -3.709 11.261 230 HH22 ARG 26 2HH2 ARG 26 4.958 -2.838 11.423 231 H ALA 27 HN ALA 27 2.474 -5.884 3.471 232 HA ALA 27 HA ALA 27 0.650 -8.026 3.700 233 HB1 ALA 27 HB1 ALA 27 -0.550 -6.956 1.838 234 HB2 ALA 27 HB2 ALA 27 0.845 -5.882 1.578 235 HB3 ALA 27 HB3 ALA 27 -0.080 -5.787 3.096 236 H THR 28 HN THR 28 2.951 -7.144 1.141 237 HA THR 28 HA THR 28 2.327 -9.194 -0.654 238 HB THR 28 HB THR 28 4.427 -8.768 -1.722 239 HG1 THR 28 HG1 THR 28 5.816 -8.826 0.064 240 HG21 THR 28 3HG2 THR 28 2.771 -6.974 -1.923 241 HG22 THR 28 1HG2 THR 28 4.425 -6.316 -1.913 242 HG23 THR 28 2HG2 THR 28 3.416 -6.210 -0.451 243 H GLN 29 HN GLN 29 4.023 -9.279 2.341 244 HA GLN 29 HA GLN 29 5.568 -11.616 1.882 245 HB2 GLN 29 HB1 GLN 29 4.541 -10.535 4.517 246 HB3 GLN 29 HB2 GLN 29 5.892 -11.671 4.287 247 HG2 GLN 29 HG1 GLN 29 5.911 -8.918 3.065 248 HG3 GLN 29 HG2 GLN 29 6.435 -9.203 4.742 249 HE21 GLN 29 1HE2 GLN 29 8.138 -8.181 2.820 250 HE22 GLN 29 2HE2 GLN 29 9.372 -9.341 2.476 251 H ILE 30 HN ILE 30 2.258 -11.147 2.228 252 HA ILE 30 HA ILE 30 1.877 -13.992 2.896 253 HB ILE 30 HB ILE 30 -0.042 -11.757 3.562 254 HG12 ILE 30 1HG1 ILE 30 0.776 -12.905 5.936 255 HG13 ILE 30 2HG1 ILE 30 2.277 -12.850 4.980 256 HG21 ILE 30 1HG2 ILE 30 -1.209 -13.476 4.877 257 HG22 ILE 30 2HG2 ILE 30 -0.047 -14.691 4.295 258 HG23 ILE 30 3HG2 ILE 30 -1.144 -13.889 3.147 259 HD11 ILE 30 3HD1 ILE 30 1.967 -10.444 4.632 260 HD12 ILE 30 1HD1 ILE 30 2.030 -10.851 6.363 261 HD13 ILE 30 2HD1 ILE 30 0.467 -10.498 5.588 262 HA PRO 31 HA PRO 31 0.136 -13.016 -1.327 263 HB2 PRO 31 HB1 PRO 31 1.386 -15.091 -2.599 264 HB3 PRO 31 HB2 PRO 31 2.141 -13.492 -2.392 265 HG2 PRO 31 HG1 PRO 31 2.524 -16.008 -0.791 266 HG3 PRO 31 HG2 PRO 31 3.738 -14.841 -1.370 267 HD2 PRO 31 HD1 PRO 31 2.820 -14.844 1.191 268 HD3 PRO 31 HD2 PRO 31 3.317 -13.351 0.358 269 H SER 32 HN SER 32 -0.162 -15.288 1.051 270 HA SER 32 HA SER 32 -1.319 -17.528 -0.025 271 HB2 SER 32 HB1 SER 32 -0.916 -17.228 2.387 272 HB3 SER 32 HB2 SER 32 -2.238 -16.039 2.456 273 HG SER 32 HG SER 32 -2.906 -18.155 3.091 274 H TYR 33 HN TYR 33 -2.809 -14.371 0.502 275 HA TYR 33 HA TYR 33 -5.453 -14.912 0.029 276 HB2 TYR 33 HB1 TYR 33 -5.655 -12.613 -0.828 277 HB3 TYR 33 HB2 TYR 33 -4.665 -12.700 0.649 278 HD1 TYR 33 HD1 TYR 33 -4.411 -12.511 -3.071 279 HD2 TYR 33 HD2 TYR 33 -2.499 -11.803 0.662 280 HE1 TYR 33 HE1 TYR 33 -2.584 -11.347 -4.236 281 HE2 TYR 33 HE2 TYR 33 -0.667 -10.636 -0.491 282 HH TYR 33 HH TYR 33 -0.454 -10.561 -3.996 283 H LYS 34 HN LYS 34 -2.821 -14.869 -2.251 284 HA LYS 34 HA LYS 34 -4.092 -14.580 -4.670 285 HB2 LYS 34 HB1 LYS 34 -1.774 -16.324 -3.844 286 HB3 LYS 34 HB2 LYS 34 -2.328 -16.233 -5.533 287 HG2 LYS 34 HG1 LYS 34 -1.695 -13.999 -5.750 288 HG3 LYS 34 HG2 LYS 34 -1.638 -13.744 -3.989 289 HD2 LYS 34 HD1 LYS 34 0.601 -13.927 -4.369 290 HD3 LYS 34 HD2 LYS 34 0.229 -15.658 -4.189 291 HE2 LYS 34 HE1 LYS 34 0.095 -14.319 -6.884 292 HE3 LYS 34 HE2 LYS 34 1.649 -14.875 -6.218 293 HZ1 LYS 34 HZ1 LYS 34 0.152 -17.040 -5.840 294 HZ2 LYS 34 HZ2 LYS 34 1.049 -16.771 -7.248 295 HZ3 LYS 34 HZ3 LYS 34 -0.607 -16.422 -7.218 296 H LYS 35 HN LYS 35 -4.177 -17.291 -2.485 297 HA LYS 35 HA LYS 35 -5.280 -19.160 -4.346 298 HB2 LYS 35 HB1 LYS 35 -5.212 -19.132 -1.320 299 HB3 LYS 35 HB2 LYS 35 -5.809 -20.495 -2.297 300 HG2 LYS 35 HG1 LYS 35 -3.026 -19.387 -2.642 301 HG3 LYS 35 HG2 LYS 35 -3.408 -20.614 -1.409 302 HD2 LYS 35 HD1 LYS 35 -4.257 -22.116 -3.149 303 HD3 LYS 35 HD2 LYS 35 -3.915 -20.886 -4.390 304 HE2 LYS 35 HE1 LYS 35 -1.614 -21.148 -4.209 305 HE3 LYS 35 HE2 LYS 35 -1.719 -21.830 -2.568 306 HZ1 LYS 35 HZ1 LYS 35 -2.788 -23.813 -3.599 307 HZ2 LYS 35 HZ2 LYS 35 -1.178 -23.579 -4.063 308 HZ3 LYS 35 HZ3 LYS 35 -2.431 -23.172 -5.124 309 H LEU 36 HN LEU 36 -6.624 -17.019 -1.869 310 HA LEU 36 HA LEU 36 -9.266 -17.867 -1.917 311 HB2 LEU 36 HB1 LEU 36 -9.755 -16.010 -0.699 312 HB3 LEU 36 HB2 LEU 36 -7.985 -16.038 -0.505 313 HG LEU 36 HG LEU 36 -8.126 -14.461 -2.649 314 HD11 LEU 36 1HD1 LEU 36 -10.030 -12.929 -2.470 315 HD12 LEU 36 2HD1 LEU 36 -10.733 -13.959 -1.200 316 HD13 LEU 36 3HD1 LEU 36 -10.554 -14.585 -2.857 317 HD21 LEU 36 3HD2 LEU 36 -8.621 -13.560 0.197 318 HD22 LEU 36 1HD2 LEU 36 -7.997 -12.544 -1.124 319 HD23 LEU 36 2HD2 LEU 36 -7.037 -13.920 -0.530 320 H ILE 37 HN ILE 37 -7.476 -16.037 -4.249 321 HA ILE 37 HA ILE 37 -9.929 -15.394 -5.728 322 HB ILE 37 HB ILE 37 -8.476 -13.974 -7.143 323 HG12 ILE 37 1HG1 ILE 37 -6.347 -14.738 -5.126 324 HG13 ILE 37 2HG1 ILE 37 -6.380 -15.212 -6.842 325 HG21 ILE 37 1HG2 ILE 37 -8.085 -12.217 -5.468 326 HG22 ILE 37 2HG2 ILE 37 -8.310 -13.419 -4.175 327 HG23 ILE 37 3HG2 ILE 37 -9.665 -13.005 -5.251 328 HD11 ILE 37 3HD1 ILE 37 -6.164 -12.858 -7.496 329 HD12 ILE 37 1HD1 ILE 37 -4.815 -13.373 -6.457 330 HD13 ILE 37 2HD1 ILE 37 -6.131 -12.384 -5.781 331 H MET 38 HN MET 38 -6.948 -17.226 -5.908 332 HA MET 38 HA MET 38 -7.497 -18.071 -8.637 333 HB2 MET 38 HB1 MET 38 -5.240 -18.671 -6.716 334 HB3 MET 38 HB2 MET 38 -5.376 -19.408 -8.331 335 HG2 MET 38 HG1 MET 38 -5.379 -17.098 -9.296 336 HG3 MET 38 HG2 MET 38 -5.029 -16.478 -7.665 337 HE1 MET 38 HE1 MET 38 -1.615 -18.551 -7.039 338 HE2 MET 38 HE2 MET 38 -3.248 -19.234 -6.857 339 HE3 MET 38 HE3 MET 38 -2.889 -17.606 -6.233 340 H TYR 39 HN TYR 39 -6.809 -20.616 -8.823 341 HA TYR 39 HA TYR 39 -9.055 -22.016 -7.857 342 HB2 TYR 39 HB1 TYR 39 -8.116 -23.962 -8.878 343 HB3 TYR 39 HB2 TYR 39 -7.756 -22.568 -9.926 344 HD1 TYR 39 HD2 TYR 39 -5.452 -21.669 -10.029 345 HD2 TYR 39 HD1 TYR 39 -6.350 -25.187 -7.809 346 HE1 TYR 39 HE2 TYR 39 -3.058 -22.230 -9.962 347 HE2 TYR 39 HE1 TYR 39 -3.958 -25.757 -7.736 348 HH TYR 39 HH TYR 39 -1.624 -24.147 -9.655 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 2.360 11.151 -4.072 2 H2 GLY 1 HT2 GLY 1 2.031 12.758 -4.674 3 H3 GLY 1 HT3 GLY 1 0.965 11.436 -5.085 4 HA2 GLY 1 HA1 GLY 1 0.359 11.204 -2.787 5 HA3 GLY 1 HA2 GLY 1 1.430 12.533 -2.372 6 H ILE 2 HN ILE 2 -1.018 12.913 -1.554 7 HA ILE 2 HA ILE 2 -2.826 14.017 -3.438 8 HB ILE 2 HB ILE 2 -4.019 14.932 -1.498 9 HG12 ILE 2 1HG1 ILE 2 -2.914 14.024 0.767 10 HG13 ILE 2 2HG1 ILE 2 -1.428 14.297 -0.175 11 HG21 ILE 2 1HG2 ILE 2 -4.504 12.800 -0.373 12 HG22 ILE 2 2HG2 ILE 2 -3.044 12.096 -1.108 13 HG23 ILE 2 3HG2 ILE 2 -4.398 12.614 -2.140 14 HD11 ILE 2 3HD1 ILE 2 -2.082 16.633 -0.530 15 HD12 ILE 2 1HD1 ILE 2 -1.978 16.240 1.202 16 HD13 ILE 2 2HD1 ILE 2 -3.568 16.361 0.412 17 H HIS 3 HN HIS 3 -0.080 15.276 -1.752 18 HA HIS 3 HA HIS 3 -0.641 17.938 -2.881 19 HB2 HIS 3 HB1 HIS 3 0.494 18.964 -0.999 20 HB3 HIS 3 HB2 HIS 3 -0.841 17.937 -0.421 21 HD1 HIS 3 HD1 HIS 3 2.514 18.711 0.397 22 HD2 HIS 3 HD2 HIS 3 0.334 15.177 0.231 23 HE1 HIS 3 HE1 HIS 3 3.780 17.071 1.825 24 H LYS 4 HN LYS 4 1.079 19.062 -3.787 25 HA LYS 4 HA LYS 4 3.607 17.575 -4.049 26 HB2 LYS 4 HB1 LYS 4 2.349 17.257 -6.103 27 HB3 LYS 4 HB2 LYS 4 2.088 19.013 -6.240 28 HG2 LYS 4 HG1 LYS 4 4.488 19.357 -6.551 29 HG3 LYS 4 HG2 LYS 4 4.769 17.608 -6.381 30 HD2 LYS 4 HD1 LYS 4 3.800 17.115 -8.430 31 HD3 LYS 4 HD2 LYS 4 2.836 18.612 -8.450 32 HE2 LYS 4 HE1 LYS 4 4.596 18.795 -10.092 33 HE3 LYS 4 HE2 LYS 4 4.945 19.907 -8.746 34 HZ1 LYS 4 HZ1 LYS 4 6.800 18.382 -9.703 35 HZ2 LYS 4 HZ2 LYS 4 6.102 17.200 -8.716 36 HZ3 LYS 4 HZ3 LYS 4 6.693 18.629 -8.033 37 H GLN 5 HN GLN 5 1.980 20.709 -4.289 38 HA GLN 5 HA GLN 5 4.404 22.214 -4.400 39 HB2 GLN 5 HB1 GLN 5 2.362 23.121 -5.342 40 HB3 GLN 5 HB2 GLN 5 1.566 23.039 -3.752 41 HG2 GLN 5 HG1 GLN 5 2.250 25.323 -4.326 42 HG3 GLN 5 HG2 GLN 5 3.085 24.720 -2.874 43 HE21 GLN 5 1HE2 GLN 5 4.968 25.760 -2.904 44 HE22 GLN 5 2HE2 GLN 5 6.095 25.763 -4.213 45 H LYS 6 HN LYS 6 1.995 21.642 -1.845 46 HA LYS 6 HA LYS 6 3.076 23.109 0.201 47 HB2 LYS 6 HB1 LYS 6 1.596 20.495 0.152 48 HB3 LYS 6 HB2 LYS 6 2.192 21.159 1.693 49 HG2 LYS 6 HG1 LYS 6 0.075 22.026 1.668 50 HG3 LYS 6 HG2 LYS 6 0.957 23.335 0.845 51 HD2 LYS 6 HD1 LYS 6 0.166 22.700 -1.271 52 HD3 LYS 6 HD2 LYS 6 -0.304 21.077 -0.709 53 HE2 LYS 6 HE1 LYS 6 -1.974 22.299 0.823 54 HE3 LYS 6 HE2 LYS 6 -1.663 23.726 -0.196 55 HZ1 LYS 6 HZ1 LYS 6 -3.083 22.926 -1.673 56 HZ2 LYS 6 HZ2 LYS 6 -3.384 21.576 -0.701 57 HZ3 LYS 6 HZ3 LYS 6 -2.159 21.523 -1.866 58 H GLU 7 HN GLU 7 4.159 20.014 -1.045 59 HA GLU 7 HA GLU 7 5.818 19.110 0.938 60 HB2 GLU 7 HB1 GLU 7 6.151 19.065 -2.062 61 HB3 GLU 7 HB2 GLU 7 7.292 18.250 -0.966 62 HG2 GLU 7 HG1 GLU 7 5.369 16.960 -0.034 63 HG3 GLU 7 HG2 GLU 7 4.338 17.685 -1.291 64 H LYS 8 HN LYS 8 6.402 21.721 -1.343 65 HA LYS 8 HA LYS 8 9.089 22.168 -1.054 66 HB2 LYS 8 HB1 LYS 8 7.840 23.494 -2.593 67 HB3 LYS 8 HB2 LYS 8 6.812 24.140 -1.291 68 HG2 LYS 8 HG1 LYS 8 8.467 25.777 -2.113 69 HG3 LYS 8 HG2 LYS 8 8.674 25.393 -0.387 70 HD2 LYS 8 HD1 LYS 8 10.533 23.937 -0.873 71 HD3 LYS 8 HD2 LYS 8 10.261 24.102 -2.625 72 HE2 LYS 8 HE1 LYS 8 10.956 26.406 -0.780 73 HE3 LYS 8 HE2 LYS 8 12.149 25.489 -1.731 74 HZ1 LYS 8 HZ1 LYS 8 11.632 27.364 -3.005 75 HZ2 LYS 8 HZ2 LYS 8 9.969 27.240 -2.718 76 HZ3 LYS 8 HZ3 LYS 8 10.740 26.118 -3.725 77 H SER 9 HN SER 9 6.492 23.233 1.110 78 HA SER 9 HA SER 9 8.546 23.982 3.085 79 HB2 SER 9 HB1 SER 9 5.679 24.959 2.923 80 HB3 SER 9 HB2 SER 9 6.923 25.510 4.070 81 HG SER 9 HG SER 9 6.519 26.801 2.054 82 H ARG 10 HN ARG 10 7.374 21.310 2.547 83 HA ARG 10 HA ARG 10 6.513 20.755 5.290 84 HB2 ARG 10 HB1 ARG 10 5.077 19.909 2.771 85 HB3 ARG 10 HB2 ARG 10 4.861 19.068 4.325 86 HG2 ARG 10 HG1 ARG 10 4.468 22.040 4.155 87 HG3 ARG 10 HG2 ARG 10 3.187 20.933 3.603 88 HD2 ARG 10 HD1 ARG 10 2.561 21.136 5.790 89 HD3 ARG 10 HD2 ARG 10 3.703 19.779 5.952 90 HE ARG 10 HE ARG 10 5.159 22.130 6.272 91 HH11 ARG 10 1HH1 ARG 10 2.567 20.441 7.870 92 HH12 ARG 10 2HH1 ARG 10 2.972 21.042 9.444 93 HH21 ARG 10 1HH2 ARG 10 5.702 22.926 8.340 94 HH22 ARG 10 2HH2 ARG 10 4.755 22.454 9.709 95 H LEU 11 HN LEU 11 7.850 19.303 6.117 96 HA LEU 11 HA LEU 11 9.194 17.417 4.305 97 HB2 LEU 11 HB1 LEU 11 10.744 17.105 6.309 98 HB3 LEU 11 HB2 LEU 11 10.831 18.649 5.428 99 HG LEU 11 HG LEU 11 9.089 18.493 7.843 100 HD11 LEU 11 1HD1 LEU 11 10.987 19.004 9.304 101 HD12 LEU 11 2HD1 LEU 11 12.101 18.732 7.943 102 HD13 LEU 11 3HD1 LEU 11 11.131 17.384 8.582 103 HD21 LEU 11 3HD2 LEU 11 10.906 20.613 6.678 104 HD22 LEU 11 1HD2 LEU 11 9.838 20.815 8.086 105 HD23 LEU 11 2HD2 LEU 11 9.141 20.517 6.476 106 H GLN 12 HN GLN 12 7.390 17.646 7.328 107 HA GLN 12 HA GLN 12 7.535 15.082 8.279 108 HB2 GLN 12 HB1 GLN 12 6.319 16.989 9.344 109 HB3 GLN 12 HB2 GLN 12 5.000 16.736 8.175 110 HG2 GLN 12 HG1 GLN 12 4.693 15.736 10.487 111 HG3 GLN 12 HG2 GLN 12 4.432 14.651 9.100 112 HE21 GLN 12 1HE2 GLN 12 7.420 15.755 10.662 113 HE22 GLN 12 2HE2 GLN 12 7.994 14.178 11.073 114 H GLY 13 HN GLY 13 5.566 16.290 5.614 115 HA2 GLY 13 HA1 GLY 13 3.854 14.197 5.156 116 HA3 GLY 13 HA2 GLY 13 4.573 15.158 3.874 117 H GLY 14 HN GLY 14 7.255 14.412 4.164 118 HA2 GLY 14 HA1 GLY 14 7.478 12.204 2.552 119 HA3 GLY 14 HA2 GLY 14 8.749 12.742 3.642 120 H VAL 15 HN VAL 15 7.473 12.257 6.094 121 HA VAL 15 HA VAL 15 8.188 9.677 6.675 122 HB VAL 15 HB VAL 15 5.976 11.234 8.023 123 HG11 VAL 15 1HG1 VAL 15 6.499 9.865 9.995 124 HG12 VAL 15 2HG1 VAL 15 7.667 8.935 9.027 125 HG13 VAL 15 3HG1 VAL 15 5.933 8.874 8.630 126 HG21 VAL 15 3HG2 VAL 15 8.946 11.128 8.598 127 HG22 VAL 15 1HG2 VAL 15 7.727 11.969 9.585 128 HG23 VAL 15 2HG2 VAL 15 8.052 12.511 7.922 129 H LEU 16 HN LEU 16 5.062 10.845 5.533 130 HA LEU 16 HA LEU 16 3.449 8.669 5.934 131 HB2 LEU 16 HB1 LEU 16 2.767 10.838 4.933 132 HB3 LEU 16 HB2 LEU 16 3.538 10.331 3.411 133 HG LEU 16 HG LEU 16 1.923 8.538 3.160 134 HD11 LEU 16 1HD1 LEU 16 0.040 8.282 4.706 135 HD12 LEU 16 2HD1 LEU 16 0.749 9.523 5.767 136 HD13 LEU 16 3HD1 LEU 16 1.598 7.979 5.512 137 HD21 LEU 16 3HD2 LEU 16 0.599 11.179 3.819 138 HD22 LEU 16 1HD2 LEU 16 -0.104 9.878 2.828 139 HD23 LEU 16 2HD2 LEU 16 1.349 10.739 2.265 140 H VAL 17 HN VAL 17 5.464 9.236 3.044 141 HA VAL 17 HA VAL 17 4.966 6.931 1.649 142 HB VAL 17 HB VAL 17 7.675 8.237 1.933 143 HG11 VAL 17 1HG1 VAL 17 8.104 7.323 -0.306 144 HG12 VAL 17 2HG1 VAL 17 6.525 6.504 -0.263 145 HG13 VAL 17 3HG1 VAL 17 7.800 6.038 0.887 146 HG21 VAL 17 3HG2 VAL 17 5.418 8.812 0.001 147 HG22 VAL 17 1HG2 VAL 17 7.043 9.537 -0.056 148 HG23 VAL 17 2HG2 VAL 17 5.968 9.869 1.324 149 H ASN 18 HN ASN 18 7.533 7.373 4.085 150 HA ASN 18 HA ASN 18 8.645 4.869 4.078 151 HB2 ASN 18 HB1 ASN 18 8.740 7.125 5.746 152 HB3 ASN 18 HB2 ASN 18 8.314 5.765 6.813 153 HD21 ASN 18 1HD2 ASN 18 10.817 7.453 6.249 154 HD22 ASN 18 2HD2 ASN 18 12.072 6.274 6.110 155 H GLU 19 HN GLU 19 5.980 5.903 6.214 156 HA GLU 19 HA GLU 19 5.427 3.520 7.449 157 HB2 GLU 19 HB1 GLU 19 3.488 5.643 6.504 158 HB3 GLU 19 HB2 GLU 19 3.059 4.321 7.616 159 HG2 GLU 19 HG1 GLU 19 5.365 6.112 8.275 160 HG3 GLU 19 HG2 GLU 19 3.701 6.694 8.524 161 H ILE 20 HN ILE 20 4.038 4.666 4.377 162 HA ILE 20 HA ILE 20 2.372 2.578 3.770 163 HB ILE 20 HB ILE 20 4.155 4.071 1.841 164 HG12 ILE 20 1HG1 ILE 20 2.685 5.509 3.204 165 HG13 ILE 20 2HG1 ILE 20 2.237 5.518 1.481 166 HG21 ILE 20 1HG2 ILE 20 2.515 3.433 0.124 167 HG22 ILE 20 2HG2 ILE 20 1.657 2.445 1.330 168 HG23 ILE 20 3HG2 ILE 20 3.314 2.014 0.843 169 HD11 ILE 20 3HD1 ILE 20 0.410 3.948 1.947 170 HD12 ILE 20 1HD1 ILE 20 0.257 5.435 2.914 171 HD13 ILE 20 2HD1 ILE 20 0.857 3.939 3.670 172 H LEU 21 HN LEU 21 5.861 2.772 3.130 173 HA LEU 21 HA LEU 21 6.266 0.459 1.721 174 HB2 LEU 21 HB1 LEU 21 8.078 1.328 3.969 175 HB3 LEU 21 HB2 LEU 21 8.519 0.476 2.469 176 HG LEU 21 HG LEU 21 7.711 3.372 2.770 177 HD11 LEU 21 1HD1 LEU 21 9.946 3.792 1.858 178 HD12 LEU 21 2HD1 LEU 21 10.255 2.040 1.819 179 HD13 LEU 21 3HD1 LEU 21 10.020 2.867 3.377 180 HD21 LEU 21 3HD2 LEU 21 8.246 1.789 0.247 181 HD22 LEU 21 1HD2 LEU 21 8.012 3.551 0.344 182 HD23 LEU 21 2HD2 LEU 21 6.676 2.452 0.759 183 H ASN 22 HN ASN 22 6.205 0.780 5.266 184 HA ASN 22 HA ASN 22 6.715 -1.811 6.006 185 HB2 ASN 22 HB1 ASN 22 5.455 0.507 7.206 186 HB3 ASN 22 HB2 ASN 22 4.657 -0.995 7.731 187 HD21 ASN 22 1HD2 ASN 22 7.738 0.695 7.548 188 HD22 ASN 22 2HD2 ASN 22 8.501 -0.166 8.839 189 H HIS 23 HN HIS 23 3.449 -0.451 5.523 190 HA HIS 23 HA HIS 23 1.975 -2.753 5.805 191 HB2 HIS 23 HB1 HIS 23 1.432 -0.572 3.778 192 HB3 HIS 23 HB2 HIS 23 0.243 -1.698 4.476 193 HD1 HIS 23 HD1 HIS 23 2.239 1.378 5.292 194 HD2 HIS 23 HD2 HIS 23 -0.649 -1.039 7.045 195 HE1 HIS 23 HE1 HIS 23 1.442 2.643 7.315 196 H MET 24 HN MET 24 3.134 -1.430 2.697 197 HA MET 24 HA MET 24 2.339 -3.455 1.026 198 HB2 MET 24 HB1 MET 24 4.974 -1.972 0.843 199 HB3 MET 24 HB2 MET 24 4.111 -2.775 -0.491 200 HG2 MET 24 HG1 MET 24 2.467 -0.805 0.904 201 HG3 MET 24 HG2 MET 24 3.947 -0.105 0.205 202 HE1 MET 24 HE1 MET 24 0.136 -0.774 -1.940 203 HE2 MET 24 HE2 MET 24 0.589 0.136 -0.479 204 HE3 MET 24 HE3 MET 24 0.454 -1.637 -0.416 205 H LYS 25 HN LYS 25 5.544 -3.221 2.582 206 HA LYS 25 HA LYS 25 6.631 -5.600 1.766 207 HB2 LYS 25 HB1 LYS 25 6.884 -4.307 4.493 208 HB3 LYS 25 HB2 LYS 25 7.966 -5.566 3.852 209 HG2 LYS 25 HG1 LYS 25 8.993 -4.134 2.383 210 HG3 LYS 25 HG2 LYS 25 7.576 -3.062 2.265 211 HD2 LYS 25 HD1 LYS 25 8.837 -1.715 3.581 212 HD3 LYS 25 HD2 LYS 25 8.185 -2.744 4.880 213 HE2 LYS 25 HE1 LYS 25 10.182 -4.178 4.741 214 HE3 LYS 25 HE2 LYS 25 10.836 -3.137 3.453 215 HZ1 LYS 25 HZ1 LYS 25 10.519 -1.286 5.217 216 HZ2 LYS 25 HZ2 LYS 25 11.857 -2.314 5.325 217 HZ3 LYS 25 HZ3 LYS 25 10.519 -2.561 6.328 218 H ARG 26 HN ARG 26 4.643 -5.088 4.676 219 HA ARG 26 HA ARG 26 4.627 -7.624 5.718 220 HB2 ARG 26 HB1 ARG 26 3.519 -5.597 6.692 221 HB3 ARG 26 HB2 ARG 26 2.188 -5.840 5.535 222 HG2 ARG 26 HG1 ARG 26 2.980 -8.110 7.313 223 HG3 ARG 26 HG2 ARG 26 2.056 -6.756 8.008 224 HD2 ARG 26 HD1 ARG 26 0.527 -7.111 5.899 225 HD3 ARG 26 HD2 ARG 26 1.262 -8.733 5.891 226 HE ARG 26 HE ARG 26 0.444 -8.442 8.455 227 HH11 ARG 26 1HH1 ARG 26 -1.147 -8.020 5.386 228 HH12 ARG 26 2HH1 ARG 26 -2.711 -8.462 5.988 229 HH21 ARG 26 1HH2 ARG 26 -1.608 -9.026 9.257 230 HH22 ARG 26 2HH2 ARG 26 -2.971 -9.033 8.192 231 H ALA 27 HN ALA 27 2.563 -6.360 3.125 232 HA ALA 27 HA ALA 27 0.905 -8.548 2.746 233 HB1 ALA 27 HB1 ALA 27 0.607 -7.743 0.439 234 HB2 ALA 27 HB2 ALA 27 2.006 -6.663 0.650 235 HB3 ALA 27 HB3 ALA 27 0.538 -6.419 1.626 236 H THR 28 HN THR 28 4.085 -7.906 1.297 237 HA THR 28 HA THR 28 4.216 -10.172 -0.338 238 HB THR 28 HB THR 28 6.731 -9.216 0.933 239 HG1 THR 28 HG1 THR 28 5.850 -7.234 0.689 240 HG21 THR 28 3HG2 THR 28 6.788 -10.835 -0.905 241 HG22 THR 28 1HG2 THR 28 7.527 -9.292 -1.392 242 HG23 THR 28 2HG2 THR 28 5.883 -9.701 -1.935 243 H GLN 29 HN GLN 29 4.525 -9.839 3.076 244 HA GLN 29 HA GLN 29 6.001 -12.269 3.494 245 HB2 GLN 29 HB1 GLN 29 4.342 -10.786 5.537 246 HB3 GLN 29 HB2 GLN 29 5.727 -11.867 5.825 247 HG2 GLN 29 HG1 GLN 29 5.715 -9.063 4.718 248 HG3 GLN 29 HG2 GLN 29 6.549 -9.692 6.159 249 HE21 GLN 29 1HE2 GLN 29 7.510 -8.266 3.720 250 HE22 GLN 29 2HE2 GLN 29 8.781 -9.256 3.098 251 H ILE 30 HN ILE 30 2.807 -11.561 2.722 252 HA ILE 30 HA ILE 30 1.993 -14.276 3.484 253 HB ILE 30 HB ILE 30 0.217 -11.855 3.805 254 HG12 ILE 30 1HG1 ILE 30 1.457 -13.594 5.950 255 HG13 ILE 30 2HG1 ILE 30 2.081 -11.998 5.470 256 HG21 ILE 30 1HG2 ILE 30 -1.324 -13.428 4.897 257 HG22 ILE 30 2HG2 ILE 30 -0.206 -14.761 4.525 258 HG23 ILE 30 3HG2 ILE 30 -1.003 -13.875 3.204 259 HD11 ILE 30 3HD1 ILE 30 -0.035 -10.964 6.158 260 HD12 ILE 30 1HD1 ILE 30 0.726 -11.850 7.501 261 HD13 ILE 30 2HD1 ILE 30 -0.658 -12.560 6.638 262 HA PRO 31 HA PRO 31 1.104 -13.221 -0.979 263 HB2 PRO 31 HB1 PRO 31 2.350 -15.428 -2.012 264 HB3 PRO 31 HB2 PRO 31 3.206 -13.902 -1.681 265 HG2 PRO 31 HG1 PRO 31 3.070 -16.413 -0.034 266 HG3 PRO 31 HG2 PRO 31 4.470 -15.376 -0.400 267 HD2 PRO 31 HD1 PRO 31 3.133 -15.241 1.968 268 HD3 PRO 31 HD2 PRO 31 3.903 -13.817 1.227 269 H SER 32 HN SER 32 0.202 -15.427 1.316 270 HA SER 32 HA SER 32 -0.967 -17.558 0.045 271 HB2 SER 32 HB1 SER 32 -1.003 -17.488 2.430 272 HB3 SER 32 HB2 SER 32 -1.915 -15.959 2.435 273 HG SER 32 HG SER 32 -2.949 -18.352 1.306 274 H TYR 33 HN TYR 33 -2.192 -14.265 0.328 275 HA TYR 33 HA TYR 33 -4.778 -14.544 -0.544 276 HB2 TYR 33 HB1 TYR 33 -4.600 -12.252 -1.443 277 HB3 TYR 33 HB2 TYR 33 -3.878 -12.407 0.177 278 HD1 TYR 33 HD1 TYR 33 -2.976 -12.394 -3.451 279 HD2 TYR 33 HD2 TYR 33 -1.688 -11.677 0.540 280 HE1 TYR 33 HE1 TYR 33 -0.872 -11.449 -4.306 281 HE2 TYR 33 HE2 TYR 33 0.419 -10.729 -0.303 282 HH TYR 33 HH TYR 33 1.033 -9.544 -2.805 283 H LYS 34 HN LYS 34 -1.849 -14.905 -2.365 284 HA LYS 34 HA LYS 34 -2.628 -14.497 -4.962 285 HB2 LYS 34 HB1 LYS 34 -0.766 -16.487 -3.698 286 HB3 LYS 34 HB2 LYS 34 -1.068 -16.532 -5.452 287 HG2 LYS 34 HG1 LYS 34 -0.028 -14.504 -5.821 288 HG3 LYS 34 HG2 LYS 34 -0.280 -13.949 -4.148 289 HD2 LYS 34 HD1 LYS 34 1.946 -14.437 -4.020 290 HD3 LYS 34 HD2 LYS 34 1.293 -16.047 -3.633 291 HE2 LYS 34 HE1 LYS 34 2.809 -16.615 -5.258 292 HE3 LYS 34 HE2 LYS 34 1.368 -16.334 -6.265 293 HZ1 LYS 34 HZ1 LYS 34 3.072 -15.173 -7.319 294 HZ2 LYS 34 HZ2 LYS 34 3.717 -14.573 -5.876 295 HZ3 LYS 34 HZ3 LYS 34 2.251 -13.966 -6.464 296 H LYS 35 HN LYS 35 -3.455 -17.161 -2.848 297 HA LYS 35 HA LYS 35 -4.823 -18.562 -5.016 298 HB2 LYS 35 HB1 LYS 35 -3.698 -20.134 -3.747 299 HB3 LYS 35 HB2 LYS 35 -4.000 -19.263 -2.224 300 HG2 LYS 35 HG1 LYS 35 -6.034 -20.233 -1.909 301 HG3 LYS 35 HG2 LYS 35 -6.362 -20.375 -3.653 302 HD2 LYS 35 HD1 LYS 35 -6.058 -22.589 -2.918 303 HD3 LYS 35 HD2 LYS 35 -4.511 -22.148 -3.682 304 HE2 LYS 35 HE1 LYS 35 -3.851 -23.189 -1.699 305 HE3 LYS 35 HE2 LYS 35 -3.783 -21.456 -1.294 306 HZ1 LYS 35 HZ1 LYS 35 -5.800 -21.609 -0.111 307 HZ2 LYS 35 HZ2 LYS 35 -4.886 -22.942 0.387 308 HZ3 LYS 35 HZ3 LYS 35 -6.153 -23.149 -0.714 309 H LEU 36 HN LEU 36 -5.478 -16.709 -2.124 310 HA LEU 36 HA LEU 36 -8.210 -17.348 -1.847 311 HB2 LEU 36 HB1 LEU 36 -6.924 -14.721 -1.107 312 HB3 LEU 36 HB2 LEU 36 -8.364 -15.476 -0.381 313 HG LEU 36 HG LEU 36 -5.539 -16.534 -0.148 314 HD11 LEU 36 1HD1 LEU 36 -5.664 -15.774 2.176 315 HD12 LEU 36 2HD1 LEU 36 -7.251 -15.039 1.848 316 HD13 LEU 36 3HD1 LEU 36 -5.796 -14.416 1.034 317 HD21 LEU 36 3HD2 LEU 36 -8.115 -17.367 1.202 318 HD22 LEU 36 1HD2 LEU 36 -6.495 -18.013 1.555 319 HD23 LEU 36 2HD2 LEU 36 -7.234 -18.288 -0.040 320 H ILE 37 HN ILE 37 -6.639 -14.520 -3.345 321 HA ILE 37 HA ILE 37 -8.914 -13.240 -4.278 322 HB ILE 37 HB ILE 37 -7.517 -12.096 -5.870 323 HG12 ILE 37 1HG1 ILE 37 -5.465 -14.246 -5.278 324 HG13 ILE 37 2HG1 ILE 37 -6.362 -14.042 -6.802 325 HG21 ILE 37 1HG2 ILE 37 -5.716 -11.300 -4.397 326 HG22 ILE 37 2HG2 ILE 37 -5.996 -12.691 -3.324 327 HG23 ILE 37 3HG2 ILE 37 -7.263 -11.460 -3.533 328 HD11 ILE 37 3HD1 ILE 37 -5.269 -11.875 -7.154 329 HD12 ILE 37 1HD1 ILE 37 -4.080 -13.188 -6.991 330 HD13 ILE 37 2HD1 ILE 37 -4.373 -12.079 -5.630 331 H MET 38 HN MET 38 -7.217 -16.007 -5.575 332 HA MET 38 HA MET 38 -8.725 -15.979 -8.050 333 HB2 MET 38 HB1 MET 38 -6.872 -18.116 -6.970 334 HB3 MET 38 HB2 MET 38 -7.464 -17.962 -8.642 335 HG2 MET 38 HG1 MET 38 -5.746 -15.894 -7.257 336 HG3 MET 38 HG2 MET 38 -5.104 -17.207 -8.273 337 HE1 MET 38 HE1 MET 38 -5.062 -15.738 -11.646 338 HE2 MET 38 HE2 MET 38 -5.240 -17.313 -10.837 339 HE3 MET 38 HE3 MET 38 -4.022 -16.150 -10.262 340 H TYR 39 HN TYR 39 -9.353 -18.538 -8.559 341 HA TYR 39 HA TYR 39 -11.811 -18.916 -7.343 342 HB2 TYR 39 HB1 TYR 39 -10.112 -21.122 -8.523 343 HB3 TYR 39 HB2 TYR 39 -11.888 -21.072 -8.398 344 HD1 TYR 39 HD2 TYR 39 -13.147 -19.381 -9.786 345 HD2 TYR 39 HD1 TYR 39 -9.007 -20.161 -10.383 346 HE1 TYR 39 HE2 TYR 39 -13.280 -18.354 -12.017 347 HE2 TYR 39 HE1 TYR 39 -9.128 -19.135 -12.615 348 HH TYR 39 HH TYR 39 -10.399 -17.905 -14.009 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -12.706 25.600 4.033 2 H2 GLY 1 HT2 GLY 1 -12.147 23.975 3.722 3 H3 GLY 1 HT3 GLY 1 -11.274 25.339 3.067 4 HA2 GLY 1 HA1 GLY 1 -10.732 26.061 5.280 5 HA3 GLY 1 HA2 GLY 1 -11.609 24.686 5.937 6 H ILE 2 HN ILE 2 -9.053 24.954 6.684 7 HA ILE 2 HA ILE 2 -7.096 23.796 5.055 8 HB ILE 2 HB ILE 2 -7.384 24.052 8.027 9 HG12 ILE 2 1HG1 ILE 2 -6.753 26.008 6.641 10 HG13 ILE 2 2HG1 ILE 2 -5.491 25.541 7.807 11 HG21 ILE 2 1HG2 ILE 2 -5.137 23.095 8.311 12 HG22 ILE 2 2HG2 ILE 2 -5.121 22.657 6.586 13 HG23 ILE 2 3HG2 ILE 2 -6.297 21.899 7.686 14 HD11 ILE 2 3HD1 ILE 2 -4.254 24.412 6.015 15 HD12 ILE 2 1HD1 ILE 2 -4.527 26.130 5.639 16 HD13 ILE 2 2HD1 ILE 2 -5.516 24.879 4.850 17 H HIS 3 HN HIS 3 -6.687 21.771 4.439 18 HA HIS 3 HA HIS 3 -8.474 19.688 4.688 19 HB2 HIS 3 HB1 HIS 3 -6.405 18.215 4.174 20 HB3 HIS 3 HB2 HIS 3 -6.917 19.434 2.982 21 HD1 HIS 3 HD1 HIS 3 -4.285 18.876 5.652 22 HD2 HIS 3 HD2 HIS 3 -5.021 21.334 2.385 23 HE1 HIS 3 HE1 HIS 3 -2.160 20.173 5.294 24 H LYS 4 HN LYS 4 -5.635 20.391 6.684 25 HA LYS 4 HA LYS 4 -6.703 19.363 9.039 26 HB2 LYS 4 HB1 LYS 4 -5.868 17.310 7.284 27 HB3 LYS 4 HB2 LYS 4 -4.637 17.409 8.566 28 HG2 LYS 4 HG1 LYS 4 -6.068 16.700 10.189 29 HG3 LYS 4 HG2 LYS 4 -7.492 17.429 9.409 30 HD2 LYS 4 HD1 LYS 4 -7.197 15.627 7.600 31 HD3 LYS 4 HD2 LYS 4 -6.104 14.827 8.755 32 HE2 LYS 4 HE1 LYS 4 -9.006 15.564 9.248 33 HE3 LYS 4 HE2 LYS 4 -8.378 13.931 8.920 34 HZ1 LYS 4 HZ1 LYS 4 -8.587 15.243 11.383 35 HZ2 LYS 4 HZ2 LYS 4 -6.940 15.039 11.064 36 HZ3 LYS 4 HZ3 LYS 4 -7.972 13.699 11.071 37 H GLN 5 HN GLN 5 -4.740 18.704 10.603 38 HA GLN 5 HA GLN 5 -3.162 21.020 10.846 39 HB2 GLN 5 HB1 GLN 5 -2.036 19.861 12.678 40 HB3 GLN 5 HB2 GLN 5 -3.799 19.632 12.763 41 HG2 GLN 5 HG1 GLN 5 -2.217 17.569 11.317 42 HG3 GLN 5 HG2 GLN 5 -2.054 17.637 13.089 43 HE21 GLN 5 1HE2 GLN 5 -3.256 15.588 11.376 44 HE22 GLN 5 2HE2 GLN 5 -4.884 15.407 11.923 45 H LYS 6 HN LYS 6 -2.759 18.239 8.943 46 HA LYS 6 HA LYS 6 -0.061 17.774 8.832 47 HB2 LYS 6 HB1 LYS 6 -2.265 17.656 6.822 48 HB3 LYS 6 HB2 LYS 6 -0.591 17.517 6.231 49 HG2 LYS 6 HG1 LYS 6 -0.250 15.491 7.251 50 HG3 LYS 6 HG2 LYS 6 -1.438 15.814 8.538 51 HD2 LYS 6 HD1 LYS 6 -2.452 14.170 7.198 52 HD3 LYS 6 HD2 LYS 6 -3.211 15.696 6.683 53 HE2 LYS 6 HE1 LYS 6 -2.702 14.534 4.687 54 HE3 LYS 6 HE2 LYS 6 -1.445 15.785 4.847 55 HZ1 LYS 6 HZ1 LYS 6 0.156 14.251 5.214 56 HZ2 LYS 6 HZ2 LYS 6 -0.885 13.262 4.320 57 HZ3 LYS 6 HZ3 LYS 6 -0.871 13.166 6.009 58 H GLU 7 HN GLU 7 -1.838 20.493 7.515 59 HA GLU 7 HA GLU 7 -0.053 21.589 5.746 60 HB2 GLU 7 HB1 GLU 7 -2.261 22.541 7.364 61 HB3 GLU 7 HB2 GLU 7 -0.994 23.784 7.220 62 HG2 GLU 7 HG1 GLU 7 -1.510 22.533 4.663 63 HG3 GLU 7 HG2 GLU 7 -3.012 23.171 5.374 64 H LYS 8 HN LYS 8 -0.154 22.236 9.252 65 HA LYS 8 HA LYS 8 1.997 23.916 9.493 66 HB2 LYS 8 HB1 LYS 8 0.965 21.754 11.325 67 HB3 LYS 8 HB2 LYS 8 2.328 22.803 11.785 68 HG2 LYS 8 HG1 LYS 8 0.980 24.735 11.785 69 HG3 LYS 8 HG2 LYS 8 -0.335 23.917 10.908 70 HD2 LYS 8 HD1 LYS 8 -0.934 22.627 12.801 71 HD3 LYS 8 HD2 LYS 8 0.576 23.034 13.652 72 HE2 LYS 8 HE1 LYS 8 -1.517 25.087 12.894 73 HE3 LYS 8 HE2 LYS 8 -1.499 24.238 14.458 74 HZ1 LYS 8 HZ1 LYS 8 0.718 25.914 13.392 75 HZ2 LYS 8 HZ2 LYS 8 0.680 25.153 14.900 76 HZ3 LYS 8 HZ3 LYS 8 -0.402 26.407 14.560 77 H SER 9 HN SER 9 2.011 20.434 9.055 78 HA SER 9 HA SER 9 4.729 19.981 9.653 79 HB2 SER 9 HB1 SER 9 3.131 18.386 7.643 80 HB3 SER 9 HB2 SER 9 4.443 17.825 8.708 81 HG SER 9 HG SER 9 1.950 17.585 9.220 82 H ARG 10 HN ARG 10 6.517 19.691 8.279 83 HA ARG 10 HA ARG 10 6.274 21.032 5.665 84 HB2 ARG 10 HB1 ARG 10 7.508 22.425 7.233 85 HB3 ARG 10 HB2 ARG 10 8.595 21.066 7.610 86 HG2 ARG 10 HG1 ARG 10 9.708 21.220 5.586 87 HG3 ARG 10 HG2 ARG 10 8.352 22.050 4.784 88 HD2 ARG 10 HD1 ARG 10 9.854 23.785 5.062 89 HD3 ARG 10 HD2 ARG 10 8.852 23.944 6.525 90 HE ARG 10 HE ARG 10 10.679 23.384 7.789 91 HH11 ARG 10 1HH1 ARG 10 11.312 22.574 4.462 92 HH12 ARG 10 2HH1 ARG 10 12.982 22.206 4.733 93 HH21 ARG 10 1HH2 ARG 10 12.878 22.900 8.159 94 HH22 ARG 10 2HH2 ARG 10 13.872 22.391 6.837 95 H LEU 11 HN LEU 11 8.867 19.174 7.238 96 HA LEU 11 HA LEU 11 9.219 17.642 4.791 97 HB2 LEU 11 HB1 LEU 11 11.279 16.870 5.741 98 HB3 LEU 11 HB2 LEU 11 11.160 18.632 5.966 99 HG LEU 11 HG LEU 11 10.264 16.899 8.214 100 HD11 LEU 11 1HD1 LEU 11 12.556 16.650 9.043 101 HD12 LEU 11 2HD1 LEU 11 13.177 17.333 7.521 102 HD13 LEU 11 3HD1 LEU 11 12.313 15.777 7.511 103 HD21 LEU 11 3HD2 LEU 11 11.851 19.470 8.023 104 HD22 LEU 11 1HD2 LEU 11 11.282 18.704 9.526 105 HD23 LEU 11 2HD2 LEU 11 10.106 19.334 8.347 106 H GLN 12 HN GLN 12 7.949 17.272 7.992 107 HA GLN 12 HA GLN 12 8.105 14.574 8.460 108 HB2 GLN 12 HB1 GLN 12 5.967 16.601 9.053 109 HB3 GLN 12 HB2 GLN 12 5.745 14.892 9.502 110 HG2 GLN 12 HG1 GLN 12 7.919 16.776 10.440 111 HG3 GLN 12 HG2 GLN 12 6.584 16.095 11.401 112 HE21 GLN 12 1HE2 GLN 12 6.640 13.474 10.594 113 HE22 GLN 12 2HE2 GLN 12 8.115 12.738 11.111 114 H GLY 13 HN GLY 13 6.119 16.253 6.131 115 HA2 GLY 13 HA1 GLY 13 4.149 14.442 5.534 116 HA3 GLY 13 HA2 GLY 13 4.945 15.438 4.326 117 H GLY 14 HN GLY 14 7.421 14.453 4.107 118 HA2 GLY 14 HA1 GLY 14 7.211 12.275 2.447 119 HA3 GLY 14 HA2 GLY 14 8.688 12.715 3.293 120 H VAL 15 HN VAL 15 7.654 12.268 5.940 121 HA VAL 15 HA VAL 15 8.412 9.680 6.426 122 HB VAL 15 HB VAL 15 6.325 11.185 8.009 123 HG11 VAL 15 1HG1 VAL 15 7.131 9.845 9.905 124 HG12 VAL 15 2HG1 VAL 15 8.222 8.967 8.806 125 HG13 VAL 15 3HG1 VAL 15 6.459 8.826 8.609 126 HG21 VAL 15 3HG2 VAL 15 9.342 11.217 8.243 127 HG22 VAL 15 1HG2 VAL 15 8.206 12.004 9.364 128 HG23 VAL 15 2HG2 VAL 15 8.315 12.555 7.676 129 H LEU 16 HN LEU 16 5.192 10.867 5.612 130 HA LEU 16 HA LEU 16 3.620 8.690 6.147 131 HB2 LEU 16 HB1 LEU 16 2.847 10.870 5.242 132 HB3 LEU 16 HB2 LEU 16 3.464 10.378 3.646 133 HG LEU 16 HG LEU 16 1.836 8.547 3.589 134 HD11 LEU 16 1HD1 LEU 16 0.062 8.406 5.272 135 HD12 LEU 16 2HD1 LEU 16 0.865 9.681 6.218 136 HD13 LEU 16 3HD1 LEU 16 1.667 8.110 5.982 137 HD21 LEU 16 3HD2 LEU 16 0.608 11.244 4.202 138 HD22 LEU 16 1HD2 LEU 16 -0.186 9.911 3.330 139 HD23 LEU 16 2HD2 LEU 16 1.240 10.711 2.626 140 H VAL 17 HN VAL 17 5.346 9.282 3.083 141 HA VAL 17 HA VAL 17 4.703 6.997 1.716 142 HB VAL 17 HB VAL 17 7.441 8.278 1.751 143 HG11 VAL 17 1HG1 VAL 17 7.630 7.401 -0.537 144 HG12 VAL 17 2HG1 VAL 17 6.051 6.601 -0.351 145 HG13 VAL 17 3HG1 VAL 17 7.428 6.097 0.658 146 HG21 VAL 17 3HG2 VAL 17 5.008 8.916 0.067 147 HG22 VAL 17 1HG2 VAL 17 6.627 9.624 -0.139 148 HG23 VAL 17 2HG2 VAL 17 5.701 9.939 1.348 149 H ASN 18 HN ASN 18 7.491 7.397 3.902 150 HA ASN 18 HA ASN 18 8.587 4.891 3.757 151 HB2 ASN 18 HB1 ASN 18 8.848 7.125 5.439 152 HB3 ASN 18 HB2 ASN 18 8.516 5.752 6.523 153 HD21 ASN 18 1HD2 ASN 18 10.967 7.421 5.831 154 HD22 ASN 18 2HD2 ASN 18 12.196 6.245 5.528 155 H GLU 19 HN GLU 19 6.137 5.905 6.148 156 HA GLU 19 HA GLU 19 5.693 3.508 7.396 157 HB2 GLU 19 HB1 GLU 19 3.684 5.650 6.662 158 HB3 GLU 19 HB2 GLU 19 3.352 4.313 7.790 159 HG2 GLU 19 HG1 GLU 19 5.718 6.086 8.262 160 HG3 GLU 19 HG2 GLU 19 4.087 6.672 8.669 161 H ILE 20 HN ILE 20 4.028 4.697 4.480 162 HA ILE 20 HA ILE 20 2.306 2.620 4.005 163 HB ILE 20 HB ILE 20 3.902 4.128 1.932 164 HG12 ILE 20 1HG1 ILE 20 2.593 5.565 3.453 165 HG13 ILE 20 2HG1 ILE 20 1.972 5.600 1.785 166 HG21 ILE 20 1HG2 ILE 20 2.090 3.529 0.383 167 HG22 ILE 20 2HG2 ILE 20 1.347 2.533 1.656 168 HG23 ILE 20 3HG2 ILE 20 2.942 2.093 1.000 169 HD11 ILE 20 3HD1 ILE 20 0.187 4.041 2.417 170 HD12 ILE 20 1HD1 ILE 20 0.149 5.516 3.412 171 HD13 ILE 20 2HD1 ILE 20 0.808 4.005 4.084 172 H LEU 21 HN LEU 21 5.720 2.820 3.046 173 HA LEU 21 HA LEU 21 5.987 0.528 1.571 174 HB2 LEU 21 HB1 LEU 21 8.001 1.366 3.652 175 HB3 LEU 21 HB2 LEU 21 8.299 0.530 2.109 176 HG LEU 21 HG LEU 21 7.532 3.423 2.518 177 HD11 LEU 21 1HD1 LEU 21 9.671 3.852 1.406 178 HD12 LEU 21 2HD1 LEU 21 9.972 2.100 1.318 179 HD13 LEU 21 3HD1 LEU 21 9.884 2.910 2.901 180 HD21 LEU 21 3HD2 LEU 21 7.823 1.873 -0.065 181 HD22 LEU 21 1HD2 LEU 21 7.605 3.633 0.076 182 HD23 LEU 21 2HD2 LEU 21 6.310 2.532 0.600 183 H ASN 22 HN ASN 22 6.249 0.797 5.110 184 HA ASN 22 HA ASN 22 6.827 -1.801 5.766 185 HB2 ASN 22 HB1 ASN 22 5.675 0.496 7.103 186 HB3 ASN 22 HB2 ASN 22 4.920 -1.013 7.673 187 HD21 ASN 22 1HD2 ASN 22 7.991 0.655 7.229 188 HD22 ASN 22 2HD2 ASN 22 8.852 -0.215 8.447 189 H HIS 23 HN HIS 23 3.527 -0.450 5.587 190 HA HIS 23 HA HIS 23 2.089 -2.762 5.965 191 HB2 HIS 23 HB1 HIS 23 1.369 -0.557 4.018 192 HB3 HIS 23 HB2 HIS 23 0.247 -1.695 4.802 193 HD1 HIS 23 HD1 HIS 23 2.298 1.377 5.482 194 HD2 HIS 23 HD2 HIS 23 -0.425 -1.071 7.445 195 HE1 HIS 23 HE1 HIS 23 1.673 2.614 7.581 196 H MET 24 HN MET 24 2.971 -1.395 2.784 197 HA MET 24 HA MET 24 2.044 -3.403 1.163 198 HB2 MET 24 HB1 MET 24 4.644 -1.901 0.777 199 HB3 MET 24 HB2 MET 24 3.681 -2.699 -0.490 200 HG2 MET 24 HG1 MET 24 2.153 -0.750 1.063 201 HG3 MET 24 HG2 MET 24 3.557 -0.040 0.230 202 HE1 MET 24 HE1 MET 24 -0.373 -0.326 -1.585 203 HE2 MET 24 HE2 MET 24 0.376 0.605 -0.267 204 HE3 MET 24 HE3 MET 24 -0.056 -1.103 -0.016 205 H LYS 25 HN LYS 25 5.368 -3.171 2.439 206 HA LYS 25 HA LYS 25 6.392 -5.533 1.502 207 HB2 LYS 25 HB1 LYS 25 6.872 -4.244 4.199 208 HB3 LYS 25 HB2 LYS 25 7.889 -5.522 3.491 209 HG2 LYS 25 HG1 LYS 25 7.392 -2.971 1.984 210 HG3 LYS 25 HG2 LYS 25 8.609 -3.030 3.283 211 HD2 LYS 25 HD1 LYS 25 9.628 -5.013 2.116 212 HD3 LYS 25 HD2 LYS 25 8.512 -4.711 0.762 213 HE2 LYS 25 HE1 LYS 25 9.506 -2.635 0.257 214 HE3 LYS 25 HE2 LYS 25 10.335 -2.552 1.830 215 HZ1 LYS 25 HZ1 LYS 25 10.997 -4.236 -0.515 216 HZ2 LYS 25 HZ2 LYS 25 11.566 -4.621 1.030 217 HZ3 LYS 25 HZ3 LYS 25 11.986 -3.144 0.317 218 H ARG 26 HN ARG 26 4.716 -5.078 4.615 219 HA ARG 26 HA ARG 26 4.785 -7.641 5.583 220 HB2 ARG 26 HB1 ARG 26 3.859 -5.808 6.869 221 HB3 ARG 26 HB2 ARG 26 2.507 -5.651 5.720 222 HG2 ARG 26 HG1 ARG 26 1.720 -7.895 6.360 223 HG3 ARG 26 HG2 ARG 26 3.055 -8.017 7.533 224 HD2 ARG 26 HD1 ARG 26 1.160 -5.683 7.637 225 HD3 ARG 26 HD2 ARG 26 0.684 -7.253 8.330 226 HE ARG 26 HE ARG 26 3.222 -6.601 9.308 227 HH11 ARG 26 1HH1 ARG 26 -0.057 -5.447 9.501 228 HH12 ARG 26 2HH1 ARG 26 0.130 -4.786 11.092 229 HH21 ARG 26 1HH2 ARG 26 3.482 -5.734 11.403 230 HH22 ARG 26 2HH2 ARG 26 2.144 -4.949 12.172 231 H ALA 27 HN ALA 27 2.564 -6.302 3.182 232 HA ALA 27 HA ALA 27 0.855 -8.520 2.963 233 HB1 ALA 27 HB1 ALA 27 0.206 -7.581 0.783 234 HB2 ALA 27 HB2 ALA 27 1.586 -6.460 0.872 235 HB3 ALA 27 HB3 ALA 27 0.264 -6.340 2.058 236 H THR 28 HN THR 28 3.870 -7.712 1.299 237 HA THR 28 HA THR 28 3.810 -9.864 -0.537 238 HB THR 28 HB THR 28 6.435 -8.818 0.409 239 HG1 THR 28 HG1 THR 28 5.379 -6.893 0.375 240 HG21 THR 28 3HG2 THR 28 6.319 -10.377 -1.477 241 HG22 THR 28 1HG2 THR 28 6.898 -8.780 -2.008 242 HG23 THR 28 2HG2 THR 28 5.218 -9.271 -2.331 243 H GLN 29 HN GLN 29 4.606 -9.667 2.805 244 HA GLN 29 HA GLN 29 6.245 -12.022 2.885 245 HB2 GLN 29 HB1 GLN 29 5.073 -10.148 4.890 246 HB3 GLN 29 HB2 GLN 29 5.579 -11.763 5.442 247 HG2 GLN 29 HG1 GLN 29 7.365 -10.183 5.799 248 HG3 GLN 29 HG2 GLN 29 7.833 -11.339 4.529 249 HE21 GLN 29 1HE2 GLN 29 7.647 -10.621 2.310 250 HE22 GLN 29 2HE2 GLN 29 7.873 -8.951 1.933 251 H ILE 30 HN ILE 30 2.942 -11.475 2.597 252 HA ILE 30 HA ILE 30 2.392 -14.275 3.259 253 HB ILE 30 HB ILE 30 0.579 -12.014 4.104 254 HG12 ILE 30 1HG1 ILE 30 1.297 -13.274 6.404 255 HG13 ILE 30 2HG1 ILE 30 2.800 -13.416 5.461 256 HG21 ILE 30 1HG2 ILE 30 -0.661 -13.776 5.290 257 HG22 ILE 30 2HG2 ILE 30 0.445 -14.994 4.611 258 HG23 ILE 30 3HG2 ILE 30 -0.618 -14.058 3.534 259 HD11 ILE 30 3HD1 ILE 30 2.833 -10.982 5.148 260 HD12 ILE 30 1HD1 ILE 30 2.820 -11.419 6.873 261 HD13 ILE 30 2HD1 ILE 30 1.330 -10.841 6.091 262 HA PRO 31 HA PRO 31 0.691 -12.895 -0.867 263 HB2 PRO 31 HB1 PRO 31 1.840 -14.923 -2.302 264 HB3 PRO 31 HB2 PRO 31 2.670 -13.382 -1.976 265 HG2 PRO 31 HG1 PRO 31 2.936 -16.030 -0.576 266 HG3 PRO 31 HG2 PRO 31 4.203 -14.882 -1.072 267 HD2 PRO 31 HD1 PRO 31 3.294 -15.035 1.489 268 HD3 PRO 31 HD2 PRO 31 3.858 -13.508 0.769 269 H SER 32 HN SER 32 0.276 -15.316 1.335 270 HA SER 32 HA SER 32 -0.975 -17.419 0.105 271 HB2 SER 32 HB1 SER 32 -1.730 -18.005 2.176 272 HB3 SER 32 HB2 SER 32 -0.608 -16.718 2.681 273 HG SER 32 HG SER 32 -2.933 -16.692 3.450 274 H TYR 33 HN TYR 33 -2.341 -14.250 0.874 275 HA TYR 33 HA TYR 33 -4.999 -14.643 0.331 276 HB2 TYR 33 HB1 TYR 33 -5.105 -12.276 -0.324 277 HB3 TYR 33 HB2 TYR 33 -4.121 -12.523 1.139 278 HD1 TYR 33 HD1 TYR 33 -3.877 -11.996 -2.545 279 HD2 TYR 33 HD2 TYR 33 -1.899 -11.753 1.213 280 HE1 TYR 33 HE1 TYR 33 -2.006 -10.810 -3.613 281 HE2 TYR 33 HE2 TYR 33 -0.023 -10.566 0.158 282 HH TYR 33 HH TYR 33 -0.177 -9.150 -2.803 283 H LYS 34 HN LYS 34 -2.339 -14.540 -1.909 284 HA LYS 34 HA LYS 34 -3.531 -13.982 -4.312 285 HB2 LYS 34 HB1 LYS 34 -1.383 -15.987 -3.616 286 HB3 LYS 34 HB2 LYS 34 -1.871 -15.655 -5.295 287 HG2 LYS 34 HG1 LYS 34 -1.079 -13.386 -3.500 288 HG3 LYS 34 HG2 LYS 34 0.175 -14.414 -4.237 289 HD2 LYS 34 HD1 LYS 34 -1.304 -13.960 -6.420 290 HD3 LYS 34 HD2 LYS 34 -1.724 -12.492 -5.505 291 HE2 LYS 34 HE1 LYS 34 1.069 -13.436 -6.229 292 HE3 LYS 34 HE2 LYS 34 0.190 -12.067 -6.954 293 HZ1 LYS 34 HZ1 LYS 34 1.821 -12.056 -4.689 294 HZ2 LYS 34 HZ2 LYS 34 0.245 -11.754 -4.154 295 HZ3 LYS 34 HZ3 LYS 34 0.939 -10.768 -5.343 296 H LYS 35 HN LYS 35 -3.626 -17.009 -2.504 297 HA LYS 35 HA LYS 35 -4.887 -18.574 -4.478 298 HB2 LYS 35 HB1 LYS 35 -4.963 -18.810 -1.460 299 HB3 LYS 35 HB2 LYS 35 -5.530 -20.059 -2.594 300 HG2 LYS 35 HG1 LYS 35 -2.737 -19.058 -2.903 301 HG3 LYS 35 HG2 LYS 35 -3.100 -20.114 -1.516 302 HD2 LYS 35 HD1 LYS 35 -2.559 -21.701 -3.080 303 HD3 LYS 35 HD2 LYS 35 -4.308 -21.560 -3.384 304 HE2 LYS 35 HE1 LYS 35 -4.005 -20.349 -5.344 305 HE3 LYS 35 HE2 LYS 35 -2.379 -19.798 -4.874 306 HZ1 LYS 35 HZ1 LYS 35 -1.440 -21.621 -5.732 307 HZ2 LYS 35 HZ2 LYS 35 -2.882 -21.803 -6.594 308 HZ3 LYS 35 HZ3 LYS 35 -2.642 -22.666 -5.161 309 H LEU 36 HN LEU 36 -6.180 -16.574 -1.859 310 HA LEU 36 HA LEU 36 -8.855 -17.235 -2.002 311 HB2 LEU 36 HB1 LEU 36 -7.809 -14.428 -1.620 312 HB3 LEU 36 HB2 LEU 36 -9.339 -15.108 -1.014 313 HG LEU 36 HG LEU 36 -6.560 -15.853 -0.077 314 HD11 LEU 36 1HD1 LEU 36 -7.237 -14.781 2.019 315 HD12 LEU 36 2HD1 LEU 36 -8.778 -14.301 1.270 316 HD13 LEU 36 3HD1 LEU 36 -7.245 -13.632 0.660 317 HD21 LEU 36 3HD2 LEU 36 -9.277 -16.784 0.872 318 HD22 LEU 36 1HD2 LEU 36 -7.717 -17.170 1.636 319 HD23 LEU 36 2HD2 LEU 36 -8.077 -17.765 -0.002 320 H ILE 37 HN ILE 37 -7.429 -14.375 -3.591 321 HA ILE 37 HA ILE 37 -9.591 -13.732 -5.190 322 HB ILE 37 HB ILE 37 -7.896 -12.680 -6.742 323 HG12 ILE 37 1HG1 ILE 37 -5.956 -13.663 -4.633 324 HG13 ILE 37 2HG1 ILE 37 -6.093 -14.329 -6.278 325 HG21 ILE 37 1HG2 ILE 37 -7.218 -10.969 -5.111 326 HG22 ILE 37 2HG2 ILE 37 -7.688 -12.063 -3.788 327 HG23 ILE 37 3HG2 ILE 37 -8.921 -11.443 -4.911 328 HD11 ILE 37 3HD1 ILE 37 -5.448 -12.155 -7.211 329 HD12 ILE 37 1HD1 ILE 37 -4.209 -12.782 -6.098 330 HD13 ILE 37 2HD1 ILE 37 -5.310 -11.489 -5.566 331 H MET 38 HN MET 38 -7.101 -16.146 -5.686 332 HA MET 38 HA MET 38 -7.961 -16.705 -8.395 333 HB2 MET 38 HB1 MET 38 -5.897 -17.956 -6.580 334 HB3 MET 38 HB2 MET 38 -6.275 -18.592 -8.199 335 HG2 MET 38 HG1 MET 38 -5.495 -15.714 -7.805 336 HG3 MET 38 HG2 MET 38 -4.263 -16.996 -7.909 337 HE1 MET 38 HE1 MET 38 -3.769 -17.530 -11.527 338 HE2 MET 38 HE2 MET 38 -3.846 -18.491 -10.031 339 HE3 MET 38 HE3 MET 38 -3.007 -16.922 -10.038 340 H TYR 39 HN TYR 39 -8.000 -19.320 -8.730 341 HA TYR 39 HA TYR 39 -10.512 -20.155 -7.949 342 HB2 TYR 39 HB1 TYR 39 -9.645 -22.497 -8.479 343 HB3 TYR 39 HB2 TYR 39 -9.534 -21.276 -9.769 344 HD1 TYR 39 HD1 TYR 39 -7.445 -22.518 -6.907 345 HD2 TYR 39 HD2 TYR 39 -7.559 -21.231 -10.960 346 HE1 TYR 39 HE1 TYR 39 -5.032 -22.956 -7.108 347 HE2 TYR 39 HE2 TYR 39 -5.146 -21.666 -11.173 348 HH TYR 39 HH TYR 39 -3.452 -23.509 -9.463 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -4.170 28.838 14.823 2 H2 GLY 1 HT2 GLY 1 -2.770 28.750 15.865 3 H3 GLY 1 HT3 GLY 1 -3.165 27.409 14.816 4 HA2 GLY 1 HA1 GLY 1 -2.766 28.782 12.903 5 HA3 GLY 1 HA2 GLY 1 -2.369 30.130 13.957 6 H ILE 2 HN ILE 2 -1.498 26.702 14.239 7 HA ILE 2 HA ILE 2 1.260 27.434 14.700 8 HB ILE 2 HB ILE 2 1.624 25.265 15.424 9 HG12 ILE 2 1HG1 ILE 2 0.983 24.108 13.390 10 HG13 ILE 2 2HG1 ILE 2 0.217 23.329 14.796 11 HG21 ILE 2 1HG2 ILE 2 -0.301 24.619 16.810 12 HG22 ILE 2 2HG2 ILE 2 -1.329 25.730 15.874 13 HG23 ILE 2 3HG2 ILE 2 0.003 26.371 16.864 14 HD11 ILE 2 3HD1 ILE 2 -1.887 24.478 14.285 15 HD12 ILE 2 1HD1 ILE 2 -1.332 23.489 12.913 16 HD13 ILE 2 2HD1 ILE 2 -1.121 25.256 12.880 17 H HIS 3 HN HIS 3 -0.447 27.225 11.973 18 HA HIS 3 HA HIS 3 1.519 25.737 10.412 19 HB2 HIS 3 HB1 HIS 3 -1.184 25.872 10.201 20 HB3 HIS 3 HB2 HIS 3 -0.698 27.116 9.023 21 HD1 HIS 3 HD1 HIS 3 -0.076 23.434 9.764 22 HD2 HIS 3 HD2 HIS 3 0.072 26.122 6.598 23 HE1 HIS 3 HE1 HIS 3 0.395 22.044 7.722 24 H LYS 4 HN LYS 4 2.535 28.041 11.572 25 HA LYS 4 HA LYS 4 2.713 29.932 9.325 26 HB2 LYS 4 HB1 LYS 4 2.813 30.228 12.275 27 HB3 LYS 4 HB2 LYS 4 3.929 31.254 11.342 28 HG2 LYS 4 HG1 LYS 4 2.033 32.582 11.581 29 HG3 LYS 4 HG2 LYS 4 1.850 31.888 9.952 30 HD2 LYS 4 HD1 LYS 4 0.555 29.998 11.317 31 HD3 LYS 4 HD2 LYS 4 0.311 31.345 12.456 32 HE2 LYS 4 HE1 LYS 4 -0.311 31.527 9.498 33 HE3 LYS 4 HE2 LYS 4 -1.504 31.031 10.722 34 HZ1 LYS 4 HZ1 LYS 4 -0.139 33.654 10.466 35 HZ2 LYS 4 HZ2 LYS 4 -0.978 33.196 11.862 36 HZ3 LYS 4 HZ3 LYS 4 -1.796 33.328 10.387 37 H GLN 5 HN GLN 5 4.497 27.745 11.337 38 HA GLN 5 HA GLN 5 6.959 28.460 9.886 39 HB2 GLN 5 HB1 GLN 5 8.225 27.622 11.846 40 HB3 GLN 5 HB2 GLN 5 7.210 29.035 12.222 41 HG2 GLN 5 HG1 GLN 5 5.463 27.254 12.965 42 HG3 GLN 5 HG2 GLN 5 6.871 26.166 13.038 43 HE21 GLN 5 1HE2 GLN 5 6.458 26.016 15.304 44 HE22 GLN 5 2HE2 GLN 5 6.997 27.257 16.377 45 H LYS 6 HN LYS 6 5.035 25.858 11.290 46 HA LYS 6 HA LYS 6 6.550 23.649 10.713 47 HB2 LYS 6 HB1 LYS 6 3.632 24.185 10.885 48 HB3 LYS 6 HB2 LYS 6 4.123 22.660 10.110 49 HG2 LYS 6 HG1 LYS 6 3.894 21.990 12.293 50 HG3 LYS 6 HG2 LYS 6 5.624 22.410 12.250 51 HD2 LYS 6 HD1 LYS 6 4.847 24.760 13.011 52 HD3 LYS 6 HD2 LYS 6 3.322 23.950 13.445 53 HE2 LYS 6 HE1 LYS 6 6.082 23.185 14.446 54 HE3 LYS 6 HE2 LYS 6 4.864 24.108 15.360 55 HZ1 LYS 6 HZ1 LYS 6 3.453 21.957 14.682 56 HZ2 LYS 6 HZ2 LYS 6 4.342 22.070 16.116 57 HZ3 LYS 6 HZ3 LYS 6 4.991 21.259 14.781 58 H GLU 7 HN GLU 7 4.674 25.619 8.500 59 HA GLU 7 HA GLU 7 4.494 24.031 6.274 60 HB2 GLU 7 HB1 GLU 7 4.985 26.985 6.582 61 HB3 GLU 7 HB2 GLU 7 4.868 26.235 4.971 62 HG2 GLU 7 HG1 GLU 7 2.708 25.707 6.967 63 HG3 GLU 7 HG2 GLU 7 2.766 27.293 6.162 64 H LYS 8 HN LYS 8 7.250 26.105 7.155 65 HA LYS 8 HA LYS 8 8.926 25.630 5.040 66 HB2 LYS 8 HB1 LYS 8 9.699 25.829 7.962 67 HB3 LYS 8 HB2 LYS 8 10.807 26.041 6.584 68 HG2 LYS 8 HG1 LYS 8 8.424 27.782 7.265 69 HG3 LYS 8 HG2 LYS 8 10.141 28.195 7.491 70 HD2 LYS 8 HD1 LYS 8 10.383 27.789 4.965 71 HD3 LYS 8 HD2 LYS 8 8.604 27.844 4.913 72 HE2 LYS 8 HE1 LYS 8 8.631 30.085 5.897 73 HE3 LYS 8 HE2 LYS 8 10.407 30.030 6.000 74 HZ1 LYS 8 HZ1 LYS 8 9.681 29.446 3.364 75 HZ2 LYS 8 HZ2 LYS 8 10.493 30.810 3.945 76 HZ3 LYS 8 HZ3 LYS 8 8.804 30.817 3.829 77 H SER 9 HN SER 9 8.365 23.570 7.852 78 HA SER 9 HA SER 9 10.319 21.622 7.001 79 HB2 SER 9 HB1 SER 9 8.214 21.416 9.178 80 HB3 SER 9 HB2 SER 9 9.613 20.338 8.957 81 HG SER 9 HG SER 9 10.881 21.808 9.818 82 H ARG 10 HN ARG 10 9.064 21.615 4.837 83 HA ARG 10 HA ARG 10 6.620 20.152 4.718 84 HB2 ARG 10 HB1 ARG 10 7.623 21.811 3.001 85 HB3 ARG 10 HB2 ARG 10 8.549 20.405 2.424 86 HG2 ARG 10 HG1 ARG 10 5.588 20.132 2.735 87 HG3 ARG 10 HG2 ARG 10 6.218 21.072 1.361 88 HD2 ARG 10 HD1 ARG 10 7.810 18.937 1.140 89 HD3 ARG 10 HD2 ARG 10 6.432 18.154 1.951 90 HE ARG 10 HE ARG 10 5.302 19.571 -0.089 91 HH11 ARG 10 1HH1 ARG 10 7.812 17.169 0.127 92 HH12 ARG 10 2HH1 ARG 10 7.498 16.514 -1.446 93 HH21 ARG 10 1HH2 ARG 10 4.879 18.717 -2.162 94 HH22 ARG 10 2HH2 ARG 10 5.831 17.395 -2.747 95 H LEU 11 HN LEU 11 9.977 19.294 4.774 96 HA LEU 11 HA LEU 11 9.944 16.790 3.576 97 HB2 LEU 11 HB1 LEU 11 11.918 16.274 4.889 98 HB3 LEU 11 HB2 LEU 11 11.988 17.941 4.267 99 HG LEU 11 HG LEU 11 10.937 17.558 7.022 100 HD11 LEU 11 1HD1 LEU 11 13.198 17.481 7.966 101 HD12 LEU 11 2HD1 LEU 11 13.871 17.308 6.327 102 HD13 LEU 11 3HD1 LEU 11 12.838 16.027 7.004 103 HD21 LEU 11 3HD2 LEU 11 12.803 19.557 5.725 104 HD22 LEU 11 1HD2 LEU 11 12.168 19.647 7.385 105 HD23 LEU 11 2HD2 LEU 11 11.058 19.774 6.001 106 H GLN 12 HN GLN 12 8.681 17.812 6.636 107 HA GLN 12 HA GLN 12 8.611 15.519 8.132 108 HB2 GLN 12 HB1 GLN 12 7.733 17.786 8.783 109 HB3 GLN 12 HB2 GLN 12 6.269 17.412 7.842 110 HG2 GLN 12 HG1 GLN 12 5.623 16.858 9.984 111 HG3 GLN 12 HG2 GLN 12 6.162 15.288 9.340 112 HE21 GLN 12 1HE2 GLN 12 8.287 14.556 9.927 113 HE22 GLN 12 2HE2 GLN 12 8.982 15.038 11.433 114 H GLY 13 HN GLY 13 6.090 16.527 5.811 115 HA2 GLY 13 HA1 GLY 13 4.425 14.352 5.954 116 HA3 GLY 13 HA2 GLY 13 4.705 15.263 4.478 117 H GLY 14 HN GLY 14 7.523 14.562 4.307 118 HA2 GLY 14 HA1 GLY 14 7.453 12.394 2.628 119 HA3 GLY 14 HA2 GLY 14 8.889 12.889 3.511 120 H VAL 15 HN VAL 15 8.058 12.350 6.122 121 HA VAL 15 HA VAL 15 8.795 9.740 6.504 122 HB VAL 15 HB VAL 15 6.912 11.329 8.254 123 HG11 VAL 15 1HG1 VAL 15 7.690 9.869 10.071 124 HG12 VAL 15 2HG1 VAL 15 8.627 8.921 8.893 125 HG13 VAL 15 3HG1 VAL 15 6.851 8.955 8.796 126 HG21 VAL 15 3HG2 VAL 15 9.926 11.062 8.316 127 HG22 VAL 15 1HG2 VAL 15 8.936 11.926 9.516 128 HG23 VAL 15 2HG2 VAL 15 9.007 12.509 7.835 129 H LEU 16 HN LEU 16 5.541 11.008 5.995 130 HA LEU 16 HA LEU 16 3.979 8.844 6.609 131 HB2 LEU 16 HB1 LEU 16 3.217 11.093 5.802 132 HB3 LEU 16 HB2 LEU 16 3.608 10.558 4.150 133 HG LEU 16 HG LEU 16 1.900 8.828 4.291 134 HD11 LEU 16 1HD1 LEU 16 0.381 8.696 6.206 135 HD12 LEU 16 2HD1 LEU 16 1.358 9.913 7.061 136 HD13 LEU 16 3HD1 LEU 16 2.057 8.323 6.672 137 HD21 LEU 16 3HD2 LEU 16 0.877 11.545 5.143 138 HD22 LEU 16 1HD2 LEU 16 -0.083 10.266 4.361 139 HD23 LEU 16 2HD2 LEU 16 1.256 11.039 3.479 140 H VAL 17 HN VAL 17 5.451 9.492 3.425 141 HA VAL 17 HA VAL 17 4.642 7.262 2.055 142 HB VAL 17 HB VAL 17 7.410 8.464 1.889 143 HG11 VAL 17 1HG1 VAL 17 7.355 7.680 -0.439 144 HG12 VAL 17 2HG1 VAL 17 5.771 6.927 -0.137 145 HG13 VAL 17 3HG1 VAL 17 7.216 6.335 0.717 146 HG21 VAL 17 3HG2 VAL 17 4.859 9.255 0.463 147 HG22 VAL 17 1HG2 VAL 17 6.478 9.917 0.135 148 HG23 VAL 17 2HG2 VAL 17 5.703 10.201 1.712 149 H ASN 18 HN ASN 18 7.611 7.539 4.010 150 HA ASN 18 HA ASN 18 8.633 5.016 3.703 151 HB2 ASN 18 HB1 ASN 18 9.083 7.193 5.420 152 HB3 ASN 18 HB2 ASN 18 8.812 5.795 6.489 153 HD21 ASN 18 1HD2 ASN 18 11.169 7.507 5.166 154 HD22 ASN 18 2HD2 ASN 18 12.369 6.288 4.913 155 H GLU 19 HN GLU 19 6.414 6.008 6.317 156 HA GLU 19 HA GLU 19 6.019 3.585 7.531 157 HB2 GLU 19 HB1 GLU 19 4.005 5.786 7.029 158 HB3 GLU 19 HB2 GLU 19 3.739 4.424 8.144 159 HG2 GLU 19 HG1 GLU 19 5.599 5.135 9.518 160 HG3 GLU 19 HG2 GLU 19 5.987 6.438 8.369 161 H ILE 20 HN ILE 20 4.146 4.893 4.800 162 HA ILE 20 HA ILE 20 2.345 2.867 4.412 163 HB ILE 20 HB ILE 20 3.796 4.403 2.253 164 HG12 ILE 20 1HG1 ILE 20 2.658 5.824 3.918 165 HG13 ILE 20 2HG1 ILE 20 1.894 5.917 2.313 166 HG21 ILE 20 1HG2 ILE 20 1.848 3.889 0.848 167 HG22 ILE 20 2HG2 ILE 20 1.191 2.872 2.152 168 HG23 ILE 20 3HG2 ILE 20 2.714 2.418 1.350 169 HD11 ILE 20 3HD1 ILE 20 0.138 4.379 3.060 170 HD12 ILE 20 1HD1 ILE 20 0.221 5.826 4.092 171 HD13 ILE 20 2HD1 ILE 20 0.902 4.285 4.665 172 H LEU 21 HN LEU 21 5.672 3.025 3.179 173 HA LEU 21 HA LEU 21 5.765 0.775 1.620 174 HB2 LEU 21 HB1 LEU 21 7.960 1.511 3.552 175 HB3 LEU 21 HB2 LEU 21 8.114 0.714 1.967 176 HG LEU 21 HG LEU 21 7.445 3.608 2.516 177 HD11 LEU 21 1HD1 LEU 21 9.497 4.027 1.245 178 HD12 LEU 21 2HD1 LEU 21 9.751 2.272 1.085 179 HD13 LEU 21 3HD1 LEU 21 9.811 3.038 2.690 180 HD21 LEU 21 3HD2 LEU 21 7.495 2.127 -0.121 181 HD22 LEU 21 1HD2 LEU 21 7.327 3.887 0.084 182 HD23 LEU 21 2HD2 LEU 21 6.054 2.796 0.681 183 H ASN 22 HN ASN 22 6.323 0.930 5.133 184 HA ASN 22 HA ASN 22 6.892 -1.697 5.664 185 HB2 ASN 22 HB1 ASN 22 5.904 0.581 7.157 186 HB3 ASN 22 HB2 ASN 22 5.168 -0.930 7.744 187 HD21 ASN 22 1HD2 ASN 22 8.228 0.689 7.087 188 HD22 ASN 22 2HD2 ASN 22 9.169 -0.232 8.208 189 H HIS 23 HN HIS 23 3.621 -0.275 5.796 190 HA HIS 23 HA HIS 23 2.169 -2.569 6.225 191 HB2 HIS 23 HB1 HIS 23 1.338 -0.291 4.410 192 HB3 HIS 23 HB2 HIS 23 0.260 -1.430 5.253 193 HD1 HIS 23 HD1 HIS 23 2.427 1.578 5.843 194 HD2 HIS 23 HD2 HIS 23 -0.171 -0.873 7.961 195 HE1 HIS 23 HE1 HIS 23 2.010 2.765 8.019 196 H MET 24 HN MET 24 2.823 -1.124 3.027 197 HA MET 24 HA MET 24 1.717 -3.057 1.426 198 HB2 MET 24 HB1 MET 24 4.329 -1.640 0.848 199 HB3 MET 24 HB2 MET 24 3.194 -2.323 -0.341 200 HG2 MET 24 HG1 MET 24 1.863 -0.427 1.394 201 HG3 MET 24 HG2 MET 24 3.290 0.305 0.622 202 HE1 MET 24 HE1 MET 24 -0.686 -0.808 -1.307 203 HE2 MET 24 HE2 MET 24 -0.361 -0.246 0.350 204 HE3 MET 24 HE3 MET 24 0.073 -1.904 -0.129 205 H LYS 25 HN LYS 25 5.140 -2.944 2.434 206 HA LYS 25 HA LYS 25 6.020 -5.300 1.349 207 HB2 LYS 25 HB1 LYS 25 6.746 -4.033 3.997 208 HB3 LYS 25 HB2 LYS 25 7.637 -5.396 3.279 209 HG2 LYS 25 HG1 LYS 25 8.185 -4.021 1.332 210 HG3 LYS 25 HG2 LYS 25 7.279 -2.659 2.034 211 HD2 LYS 25 HD1 LYS 25 8.831 -2.372 3.776 212 HD3 LYS 25 HD2 LYS 25 9.545 -3.983 3.523 213 HE2 LYS 25 HE1 LYS 25 11.150 -2.712 2.511 214 HE3 LYS 25 HE2 LYS 25 10.067 -2.960 1.120 215 HZ1 LYS 25 HZ1 LYS 25 9.582 -0.637 2.841 216 HZ2 LYS 25 HZ2 LYS 25 9.365 -0.813 1.173 217 HZ3 LYS 25 HZ3 LYS 25 10.917 -0.581 1.804 218 H ARG 26 HN ARG 26 4.617 -4.900 4.601 219 HA ARG 26 HA ARG 26 4.697 -7.492 5.486 220 HB2 ARG 26 HB1 ARG 26 3.916 -5.622 6.857 221 HB3 ARG 26 HB2 ARG 26 2.442 -5.506 5.866 222 HG2 ARG 26 HG1 ARG 26 1.548 -7.468 6.736 223 HG3 ARG 26 HG2 ARG 26 3.131 -8.061 7.293 224 HD2 ARG 26 HD1 ARG 26 2.042 -7.394 9.262 225 HD3 ARG 26 HD2 ARG 26 3.123 -6.032 8.877 226 HE ARG 26 HE ARG 26 0.670 -5.487 7.691 227 HH11 ARG 26 1HH1 ARG 26 1.947 -5.952 10.895 228 HH12 ARG 26 2HH1 ARG 26 0.792 -4.907 11.651 229 HH21 ARG 26 1HH2 ARG 26 -0.859 -4.106 8.673 230 HH22 ARG 26 2HH2 ARG 26 -0.804 -3.857 10.385 231 H ALA 27 HN ALA 27 2.439 -6.055 3.205 232 HA ALA 27 HA ALA 27 0.563 -8.133 3.093 233 HB1 ALA 27 HB1 ALA 27 -0.073 -7.209 0.902 234 HB2 ALA 27 HB2 ALA 27 1.393 -6.199 0.920 235 HB3 ALA 27 HB3 ALA 27 0.119 -5.941 2.136 236 H THR 28 HN THR 28 3.461 -7.545 1.118 237 HA THR 28 HA THR 28 3.212 -9.742 -0.587 238 HB THR 28 HB THR 28 5.513 -9.455 -1.147 239 HG1 THR 28 HG1 THR 28 5.940 -7.726 1.046 240 HG21 THR 28 3HG2 THR 28 4.046 -7.627 -1.865 241 HG22 THR 28 1HG2 THR 28 5.682 -7.026 -1.505 242 HG23 THR 28 2HG2 THR 28 4.363 -6.770 -0.338 243 H GLN 29 HN GLN 29 4.117 -9.577 2.731 244 HA GLN 29 HA GLN 29 5.593 -12.012 2.847 245 HB2 GLN 29 HB1 GLN 29 4.115 -10.671 5.117 246 HB3 GLN 29 HB2 GLN 29 5.502 -11.782 5.230 247 HG2 GLN 29 HG1 GLN 29 5.489 -8.959 4.143 248 HG3 GLN 29 HG2 GLN 29 6.258 -9.541 5.639 249 HE21 GLN 29 1HE2 GLN 29 7.148 -8.334 2.928 250 HE22 GLN 29 2HE2 GLN 29 8.504 -9.315 2.496 251 H ILE 30 HN ILE 30 2.325 -11.348 2.435 252 HA ILE 30 HA ILE 30 1.618 -14.081 3.276 253 HB ILE 30 HB ILE 30 -0.225 -11.690 3.362 254 HG12 ILE 30 1HG1 ILE 30 1.542 -11.553 5.069 255 HG13 ILE 30 2HG1 ILE 30 -0.062 -11.832 5.788 256 HG21 ILE 30 1HG2 ILE 30 -1.745 -13.209 4.557 257 HG22 ILE 30 2HG2 ILE 30 -0.585 -14.537 4.318 258 HG23 ILE 30 3HG2 ILE 30 -1.381 -13.787 2.914 259 HD11 ILE 30 3HD1 ILE 30 0.469 -14.211 6.052 260 HD12 ILE 30 1HD1 ILE 30 1.653 -13.180 6.890 261 HD13 ILE 30 2HD1 ILE 30 2.073 -13.932 5.333 262 HA PRO 31 HA PRO 31 0.782 -13.425 -1.273 263 HB2 PRO 31 HB1 PRO 31 2.106 -15.674 -2.098 264 HB3 PRO 31 HB2 PRO 31 2.914 -14.103 -1.883 265 HG2 PRO 31 HG1 PRO 31 2.817 -16.470 -0.033 266 HG3 PRO 31 HG2 PRO 31 4.195 -15.428 -0.463 267 HD2 PRO 31 HD1 PRO 31 2.813 -15.134 1.865 268 HD3 PRO 31 HD2 PRO 31 3.555 -13.755 1.018 269 H SER 32 HN SER 32 -0.097 -15.464 1.182 270 HA SER 32 HA SER 32 -1.187 -17.723 0.071 271 HB2 SER 32 HB1 SER 32 -2.250 -15.967 2.298 272 HB3 SER 32 HB2 SER 32 -2.944 -17.555 1.891 273 HG SER 32 HG SER 32 -1.355 -17.669 3.565 274 H TYR 33 HN TYR 33 -2.498 -14.451 0.064 275 HA TYR 33 HA TYR 33 -5.065 -14.869 -0.813 276 HB2 TYR 33 HB1 TYR 33 -4.930 -12.658 -1.898 277 HB3 TYR 33 HB2 TYR 33 -4.230 -12.659 -0.261 278 HD1 TYR 33 HD2 TYR 33 -3.261 -12.935 -3.862 279 HD2 TYR 33 HD1 TYR 33 -2.075 -11.824 0.070 280 HE1 TYR 33 HE2 TYR 33 -1.166 -12.011 -4.760 281 HE2 TYR 33 HE1 TYR 33 0.022 -10.895 -0.818 282 HH TYR 33 HH TYR 33 0.594 -9.957 -3.578 283 H LYS 34 HN LYS 34 -2.104 -15.324 -2.554 284 HA LYS 34 HA LYS 34 -2.837 -15.142 -5.188 285 HB2 LYS 34 HB1 LYS 34 -0.973 -16.979 -3.720 286 HB3 LYS 34 HB2 LYS 34 -1.257 -17.213 -5.462 287 HG2 LYS 34 HG1 LYS 34 -0.218 -15.240 -6.038 288 HG3 LYS 34 HG2 LYS 34 -0.524 -14.490 -4.452 289 HD2 LYS 34 HD1 LYS 34 1.675 -14.933 -4.130 290 HD3 LYS 34 HD2 LYS 34 1.063 -16.548 -3.699 291 HE2 LYS 34 HE1 LYS 34 1.368 -17.209 -6.109 292 HE3 LYS 34 HE2 LYS 34 2.181 -15.647 -6.369 293 HZ1 LYS 34 HZ1 LYS 34 3.114 -18.024 -4.951 294 HZ2 LYS 34 HZ2 LYS 34 3.550 -16.531 -4.288 295 HZ3 LYS 34 HZ3 LYS 34 3.978 -16.904 -5.880 296 H LYS 35 HN LYS 35 -3.654 -17.656 -2.884 297 HA LYS 35 HA LYS 35 -5.054 -19.164 -4.971 298 HB2 LYS 35 HB1 LYS 35 -5.057 -21.020 -3.530 299 HB3 LYS 35 HB2 LYS 35 -3.462 -20.265 -3.294 300 HG2 LYS 35 HG1 LYS 35 -4.758 -19.008 -1.345 301 HG3 LYS 35 HG2 LYS 35 -5.792 -20.454 -1.439 302 HD2 LYS 35 HD1 LYS 35 -4.253 -21.249 0.038 303 HD3 LYS 35 HD2 LYS 35 -3.396 -21.657 -1.468 304 HE2 LYS 35 HE1 LYS 35 -2.993 -19.106 0.125 305 HE3 LYS 35 HE2 LYS 35 -1.948 -20.544 0.223 306 HZ1 LYS 35 HZ1 LYS 35 -1.777 -20.213 -2.323 307 HZ2 LYS 35 HZ2 LYS 35 -0.854 -19.236 -1.297 308 HZ3 LYS 35 HZ3 LYS 35 -2.271 -18.628 -1.994 309 H LEU 36 HN LEU 36 -5.589 -17.151 -2.200 310 HA LEU 36 HA LEU 36 -8.276 -17.895 -1.681 311 HB2 LEU 36 HB1 LEU 36 -6.995 -15.216 -1.138 312 HB3 LEU 36 HB2 LEU 36 -8.398 -15.934 -0.312 313 HG LEU 36 HG LEU 36 -5.558 -16.964 -0.152 314 HD11 LEU 36 1HD1 LEU 36 -5.602 -16.113 2.144 315 HD12 LEU 36 2HD1 LEU 36 -7.210 -15.410 1.849 316 HD13 LEU 36 3HD1 LEU 36 -5.796 -14.803 0.955 317 HD21 LEU 36 3HD2 LEU 36 -8.070 -17.769 1.335 318 HD22 LEU 36 1HD2 LEU 36 -6.429 -18.382 1.650 319 HD23 LEU 36 2HD2 LEU 36 -7.227 -18.732 0.098 320 H ILE 37 HN ILE 37 -7.071 -14.843 -3.085 321 HA ILE 37 HA ILE 37 -9.541 -14.021 -4.112 322 HB ILE 37 HB ILE 37 -8.277 -12.452 -5.510 323 HG12 ILE 37 1HG1 ILE 37 -5.630 -13.037 -4.525 324 HG13 ILE 37 2HG1 ILE 37 -6.293 -14.454 -5.375 325 HG21 ILE 37 1HG2 ILE 37 -7.101 -11.268 -3.705 326 HG22 ILE 37 2HG2 ILE 37 -7.181 -12.738 -2.705 327 HG23 ILE 37 3HG2 ILE 37 -8.678 -11.896 -3.172 328 HD11 ILE 37 3HD1 ILE 37 -6.735 -13.065 -7.346 329 HD12 ILE 37 1HD1 ILE 37 -5.015 -13.025 -6.890 330 HD13 ILE 37 2HD1 ILE 37 -6.072 -11.648 -6.496 331 H MET 38 HN MET 38 -7.321 -16.374 -5.248 332 HA MET 38 HA MET 38 -8.588 -16.405 -7.900 333 HB2 MET 38 HB1 MET 38 -6.085 -17.839 -6.973 334 HB3 MET 38 HB2 MET 38 -6.710 -17.765 -8.639 335 HG2 MET 38 HG1 MET 38 -6.467 -15.208 -8.382 336 HG3 MET 38 HG2 MET 38 -5.429 -15.600 -6.990 337 HE1 MET 38 HE1 MET 38 -4.522 -16.391 -11.439 338 HE2 MET 38 HE2 MET 38 -5.749 -15.274 -10.795 339 HE3 MET 38 HE3 MET 38 -5.992 -17.033 -10.668 340 H TYR 39 HN TYR 39 -8.241 -18.961 -8.687 341 HA TYR 39 HA TYR 39 -10.394 -20.305 -7.482 342 HB2 TYR 39 HB1 TYR 39 -9.755 -22.220 -8.882 343 HB3 TYR 39 HB2 TYR 39 -9.752 -20.695 -9.801 344 HD1 TYR 39 HD1 TYR 39 -7.653 -23.358 -8.367 345 HD2 TYR 39 HD2 TYR 39 -7.678 -19.763 -10.642 346 HE1 TYR 39 HE1 TYR 39 -5.340 -23.798 -9.074 347 HE2 TYR 39 HE2 TYR 39 -5.365 -20.194 -11.359 348 HH TYR 39 HH TYR 39 -3.448 -21.433 -10.741 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -3.200 10.936 -7.592 2 H2 GLY 1 HT2 GLY 1 -2.709 10.099 -6.139 3 H3 GLY 1 HT3 GLY 1 -1.569 11.112 -6.992 4 HA2 GLY 1 HA1 GLY 1 -2.907 13.034 -6.505 5 HA3 GLY 1 HA2 GLY 1 -4.051 12.012 -5.647 6 H ILE 2 HN ILE 2 -0.672 13.071 -5.677 7 HA ILE 2 HA ILE 2 -0.686 13.424 -2.836 8 HB ILE 2 HB ILE 2 -0.313 11.002 -2.911 9 HG12 ILE 2 1HG1 ILE 2 1.839 10.947 -1.651 10 HG13 ILE 2 2HG1 ILE 2 2.122 12.634 -2.147 11 HG21 ILE 2 1HG2 ILE 2 1.737 10.084 -3.910 12 HG22 ILE 2 2HG2 ILE 2 2.131 11.695 -4.554 13 HG23 ILE 2 3HG2 ILE 2 0.681 10.837 -5.129 14 HD11 ILE 2 3HD1 ILE 2 0.094 13.325 -0.954 15 HD12 ILE 2 1HD1 ILE 2 1.246 12.511 0.132 16 HD13 ILE 2 2HD1 ILE 2 -0.189 11.639 -0.459 17 H HIS 3 HN HIS 3 0.685 15.011 -2.310 18 HA HIS 3 HA HIS 3 2.069 16.490 -4.206 19 HB2 HIS 3 HB1 HIS 3 3.207 17.577 -2.283 20 HB3 HIS 3 HB2 HIS 3 1.441 17.460 -2.090 21 HD1 HIS 3 HD1 HIS 3 4.646 16.393 -0.559 22 HD2 HIS 3 HD2 HIS 3 0.600 15.543 -0.138 23 HE1 HIS 3 HE1 HIS 3 4.439 15.174 1.630 24 H LYS 4 HN LYS 4 3.962 16.261 -5.202 25 HA LYS 4 HA LYS 4 5.908 14.352 -4.079 26 HB2 LYS 4 HB1 LYS 4 6.568 13.780 -6.373 27 HB3 LYS 4 HB2 LYS 4 4.849 13.423 -6.075 28 HG2 LYS 4 HG1 LYS 4 5.560 16.074 -7.252 29 HG3 LYS 4 HG2 LYS 4 5.672 14.630 -8.288 30 HD2 LYS 4 HD1 LYS 4 3.269 14.158 -7.221 31 HD3 LYS 4 HD2 LYS 4 3.282 15.931 -7.056 32 HE2 LYS 4 HE1 LYS 4 3.849 14.445 -9.638 33 HE3 LYS 4 HE2 LYS 4 2.259 15.107 -9.186 34 HZ1 LYS 4 HZ1 LYS 4 3.463 17.307 -8.958 35 HZ2 LYS 4 HZ2 LYS 4 3.266 16.719 -10.531 36 HZ3 LYS 4 HZ3 LYS 4 4.765 16.585 -9.762 37 H GLN 5 HN GLN 5 5.885 17.109 -3.477 38 HA GLN 5 HA GLN 5 8.509 17.835 -4.513 39 HB2 GLN 5 HB1 GLN 5 7.745 20.197 -4.903 40 HB3 GLN 5 HB2 GLN 5 7.121 19.000 -6.064 41 HG2 GLN 5 HG1 GLN 5 5.014 18.911 -4.711 42 HG3 GLN 5 HG2 GLN 5 5.646 20.268 -3.748 43 HE21 GLN 5 1HE2 GLN 5 3.259 20.233 -5.324 44 HE22 GLN 5 2HE2 GLN 5 3.432 21.445 -6.543 45 H LYS 6 HN LYS 6 5.830 18.720 -2.363 46 HA LYS 6 HA LYS 6 7.075 20.454 -0.645 47 HB2 LYS 6 HB1 LYS 6 5.108 18.259 0.052 48 HB3 LYS 6 HB2 LYS 6 5.526 19.627 1.111 49 HG2 LYS 6 HG1 LYS 6 4.799 21.032 -1.017 50 HG3 LYS 6 HG2 LYS 6 3.868 19.556 -1.370 51 HD2 LYS 6 HD1 LYS 6 3.773 20.978 1.302 52 HD3 LYS 6 HD2 LYS 6 2.658 21.343 -0.037 53 HE2 LYS 6 HE1 LYS 6 1.440 19.792 1.176 54 HE3 LYS 6 HE2 LYS 6 2.243 18.757 -0.029 55 HZ1 LYS 6 HZ1 LYS 6 2.284 18.079 2.442 56 HZ2 LYS 6 HZ2 LYS 6 3.506 19.238 2.597 57 HZ3 LYS 6 HZ3 LYS 6 3.705 17.936 1.537 58 H GLU 7 HN GLU 7 7.229 16.920 -0.625 59 HA GLU 7 HA GLU 7 8.518 16.435 1.744 60 HB2 GLU 7 HB1 GLU 7 9.670 14.527 0.490 61 HB3 GLU 7 HB2 GLU 7 7.890 14.561 0.475 62 HG2 GLU 7 HG1 GLU 7 7.874 15.460 -1.758 63 HG3 GLU 7 HG2 GLU 7 9.647 15.621 -1.748 64 H LYS 8 HN LYS 8 9.928 17.567 -1.288 65 HA LYS 8 HA LYS 8 12.613 17.354 -0.780 66 HB2 LYS 8 HB1 LYS 8 11.180 19.679 -2.094 67 HB3 LYS 8 HB2 LYS 8 12.923 19.339 -2.224 68 HG2 LYS 8 HG1 LYS 8 12.463 17.250 -3.366 69 HG3 LYS 8 HG2 LYS 8 10.712 17.495 -3.162 70 HD2 LYS 8 HD1 LYS 8 10.690 19.337 -4.646 71 HD3 LYS 8 HD2 LYS 8 12.464 19.487 -4.611 72 HE2 LYS 8 HE1 LYS 8 12.781 17.664 -6.008 73 HE3 LYS 8 HE2 LYS 8 11.208 16.941 -5.594 74 HZ1 LYS 8 HZ1 LYS 8 11.083 19.528 -6.910 75 HZ2 LYS 8 HZ2 LYS 8 10.162 18.132 -7.165 76 HZ3 LYS 8 HZ3 LYS 8 11.698 18.270 -7.861 77 H SER 9 HN SER 9 10.394 19.853 0.374 78 HA SER 9 HA SER 9 12.539 21.148 1.863 79 HB2 SER 9 HB1 SER 9 10.432 22.603 2.582 80 HB3 SER 9 HB2 SER 9 11.227 22.832 1.006 81 HG SER 9 HG SER 9 8.877 22.600 0.946 82 H ARG 10 HN ARG 10 9.193 20.356 2.783 83 HA ARG 10 HA ARG 10 9.839 20.079 5.528 84 HB2 ARG 10 HB1 ARG 10 7.572 20.640 4.443 85 HB3 ARG 10 HB2 ARG 10 7.400 18.881 4.228 86 HG2 ARG 10 HG1 ARG 10 6.250 19.596 6.239 87 HG3 ARG 10 HG2 ARG 10 7.647 18.578 6.664 88 HD2 ARG 10 HD1 ARG 10 8.936 20.471 7.329 89 HD3 ARG 10 HD2 ARG 10 7.755 21.604 6.628 90 HE ARG 10 HE ARG 10 6.634 19.941 8.683 91 HH11 ARG 10 1HH1 ARG 10 8.467 22.834 8.053 92 HH12 ARG 10 2HH1 ARG 10 8.009 23.602 9.537 93 HH21 ARG 10 1HH2 ARG 10 6.025 20.943 10.640 94 HH22 ARG 10 2HH2 ARG 10 6.622 22.526 11.009 95 H LEU 11 HN LEU 11 10.615 18.397 6.622 96 HA LEU 11 HA LEU 11 11.137 15.916 5.223 97 HB2 LEU 11 HB1 LEU 11 12.474 15.307 7.121 98 HB3 LEU 11 HB2 LEU 11 12.837 16.991 6.670 99 HG LEU 11 HG LEU 11 11.005 17.447 8.569 100 HD11 LEU 11 1HD1 LEU 11 11.331 15.899 10.439 101 HD12 LEU 11 2HD1 LEU 11 12.326 14.855 9.396 102 HD13 LEU 11 3HD1 LEU 11 10.599 15.087 9.035 103 HD21 LEU 11 3HD2 LEU 11 13.926 16.830 9.064 104 HD22 LEU 11 1HD2 LEU 11 12.871 17.799 10.120 105 HD23 LEU 11 2HD2 LEU 11 13.263 18.376 8.482 106 H GLN 12 HN GLN 12 9.129 17.071 7.871 107 HA GLN 12 HA GLN 12 8.263 14.735 9.014 108 HB2 GLN 12 HB1 GLN 12 7.615 17.253 9.427 109 HB3 GLN 12 HB2 GLN 12 6.233 16.843 8.382 110 HG2 GLN 12 HG1 GLN 12 5.410 16.481 10.520 111 HG3 GLN 12 HG2 GLN 12 5.890 14.851 9.988 112 HE21 GLN 12 1HE2 GLN 12 7.838 13.966 10.812 113 HE22 GLN 12 2HE2 GLN 12 8.489 14.502 12.320 114 H GLY 13 HN GLY 13 6.697 16.366 6.248 115 HA2 GLY 13 HA1 GLY 13 4.721 14.547 5.688 116 HA3 GLY 13 HA2 GLY 13 5.553 15.484 4.456 117 H GLY 14 HN GLY 14 8.064 14.441 4.454 118 HA2 GLY 14 HA1 GLY 14 7.913 12.245 2.817 119 HA3 GLY 14 HA2 GLY 14 9.332 12.644 3.774 120 H VAL 15 HN VAL 15 8.222 12.254 6.340 121 HA VAL 15 HA VAL 15 8.769 9.619 6.853 122 HB VAL 15 HB VAL 15 6.792 11.312 8.387 123 HG11 VAL 15 1HG1 VAL 15 7.416 9.906 10.305 124 HG12 VAL 15 2HG1 VAL 15 8.440 8.919 9.235 125 HG13 VAL 15 3HG1 VAL 15 6.677 8.953 8.996 126 HG21 VAL 15 3HG2 VAL 15 9.792 11.040 8.693 127 HG22 VAL 15 1HG2 VAL 15 8.716 11.944 9.785 128 HG23 VAL 15 2HG2 VAL 15 8.921 12.474 8.099 129 H LEU 16 HN LEU 16 5.613 11.053 6.128 130 HA LEU 16 HA LEU 16 3.931 8.941 6.593 131 HB2 LEU 16 HB1 LEU 16 3.251 11.204 5.841 132 HB3 LEU 16 HB2 LEU 16 3.809 10.787 4.202 133 HG LEU 16 HG LEU 16 2.078 9.108 4.002 134 HD11 LEU 16 1HD1 LEU 16 0.389 8.783 5.747 135 HD12 LEU 16 2HD1 LEU 16 1.287 9.886 6.817 136 HD13 LEU 16 3HD1 LEU 16 2.016 8.341 6.317 137 HD21 LEU 16 3HD2 LEU 16 0.983 11.725 5.056 138 HD22 LEU 16 1HD2 LEU 16 0.098 10.551 4.054 139 HD23 LEU 16 2HD2 LEU 16 1.511 11.403 3.388 140 H VAL 17 HN VAL 17 5.538 9.621 3.479 141 HA VAL 17 HA VAL 17 4.740 7.428 2.047 142 HB VAL 17 HB VAL 17 7.524 8.596 1.981 143 HG11 VAL 17 1HG1 VAL 17 7.526 7.851 -0.362 144 HG12 VAL 17 2HG1 VAL 17 5.926 7.112 -0.117 145 HG13 VAL 17 3HG1 VAL 17 7.339 6.490 0.768 146 HG21 VAL 17 3HG2 VAL 17 5.025 9.443 0.499 147 HG22 VAL 17 1HG2 VAL 17 6.661 10.090 0.229 148 HG23 VAL 17 2HG2 VAL 17 5.845 10.356 1.788 149 H ASN 18 HN ASN 18 7.655 7.630 4.089 150 HA ASN 18 HA ASN 18 8.654 5.100 3.765 151 HB2 ASN 18 HB1 ASN 18 9.081 7.239 5.533 152 HB3 ASN 18 HB2 ASN 18 8.765 5.825 6.567 153 HD21 ASN 18 1HD2 ASN 18 11.185 7.527 5.403 154 HD22 ASN 18 2HD2 ASN 18 12.373 6.302 5.135 155 H GLU 19 HN GLU 19 6.376 6.074 6.336 156 HA GLU 19 HA GLU 19 5.917 3.632 7.493 157 HB2 GLU 19 HB1 GLU 19 3.945 5.871 6.978 158 HB3 GLU 19 HB2 GLU 19 3.634 4.493 8.062 159 HG2 GLU 19 HG1 GLU 19 5.469 5.158 9.495 160 HG3 GLU 19 HG2 GLU 19 5.900 6.476 8.379 161 H ILE 20 HN ILE 20 4.136 5.019 4.738 162 HA ILE 20 HA ILE 20 2.316 3.030 4.261 163 HB ILE 20 HB ILE 20 3.854 4.587 2.181 164 HG12 ILE 20 1HG1 ILE 20 2.690 6.016 3.785 165 HG13 ILE 20 2HG1 ILE 20 1.909 6.083 2.187 166 HG21 ILE 20 1HG2 ILE 20 1.954 4.115 0.694 167 HG22 ILE 20 2HG2 ILE 20 1.243 3.077 1.954 168 HG23 ILE 20 3HG2 ILE 20 2.792 2.628 1.200 169 HD11 ILE 20 3HD1 ILE 20 0.175 4.536 2.971 170 HD12 ILE 20 1HD1 ILE 20 0.254 5.997 3.984 171 HD13 ILE 20 2HD1 ILE 20 0.956 4.469 4.568 172 H LEU 21 HN LEU 21 5.677 3.156 3.122 173 HA LEU 21 HA LEU 21 5.778 0.928 1.531 174 HB2 LEU 21 HB1 LEU 21 7.933 1.591 3.533 175 HB3 LEU 21 HB2 LEU 21 8.115 0.825 1.936 176 HG LEU 21 HG LEU 21 7.477 3.719 2.528 177 HD11 LEU 21 1HD1 LEU 21 9.569 4.131 1.322 178 HD12 LEU 21 2HD1 LEU 21 9.801 2.377 1.133 179 HD13 LEU 21 3HD1 LEU 21 9.827 3.109 2.755 180 HD21 LEU 21 3HD2 LEU 21 7.574 2.292 -0.139 181 HD22 LEU 21 1HD2 LEU 21 7.428 4.049 0.099 182 HD23 LEU 21 2HD2 LEU 21 6.123 2.967 0.640 183 H ASN 22 HN ASN 22 6.256 1.016 5.059 184 HA ASN 22 HA ASN 22 6.759 -1.633 5.554 185 HB2 ASN 22 HB1 ASN 22 5.790 0.642 7.069 186 HB3 ASN 22 HB2 ASN 22 5.018 -0.866 7.619 187 HD21 ASN 22 1HD2 ASN 22 8.099 0.742 7.080 188 HD22 ASN 22 2HD2 ASN 22 9.011 -0.227 8.183 189 H HIS 23 HN HIS 23 3.518 -0.139 5.655 190 HA HIS 23 HA HIS 23 2.007 -2.408 6.014 191 HB2 HIS 23 HB1 HIS 23 1.260 -0.080 4.231 192 HB3 HIS 23 HB2 HIS 23 0.142 -1.210 5.034 193 HD1 HIS 23 HD1 HIS 23 2.363 1.741 5.717 194 HD2 HIS 23 HD2 HIS 23 -0.320 -0.697 7.746 195 HE1 HIS 23 HE1 HIS 23 1.934 2.893 7.911 196 H MET 24 HN MET 24 2.749 -0.916 2.856 197 HA MET 24 HA MET 24 1.628 -2.793 1.200 198 HB2 MET 24 HB1 MET 24 4.280 -1.420 0.701 199 HB3 MET 24 HB2 MET 24 3.158 -2.062 -0.525 200 HG2 MET 24 HG1 MET 24 1.833 -0.168 1.220 201 HG3 MET 24 HG2 MET 24 3.283 0.546 0.474 202 HE1 MET 24 HE1 MET 24 -0.750 -0.012 -1.409 203 HE2 MET 24 HE2 MET 24 -0.256 0.637 0.174 204 HE3 MET 24 HE3 MET 24 -0.218 -1.118 -0.121 205 H LYS 25 HN LYS 25 5.033 -2.778 2.269 206 HA LYS 25 HA LYS 25 5.883 -5.133 1.152 207 HB2 LYS 25 HB1 LYS 25 6.589 -3.942 3.843 208 HB3 LYS 25 HB2 LYS 25 7.465 -5.303 3.103 209 HG2 LYS 25 HG1 LYS 25 8.120 -3.912 1.230 210 HG3 LYS 25 HG2 LYS 25 7.158 -2.555 1.865 211 HD2 LYS 25 HD1 LYS 25 9.432 -2.141 2.463 212 HD3 LYS 25 HD2 LYS 25 8.587 -2.649 3.946 213 HE2 LYS 25 HE1 LYS 25 10.758 -3.742 3.799 214 HE3 LYS 25 HE2 LYS 25 9.452 -4.941 3.635 215 HZ1 LYS 25 HZ1 LYS 25 10.246 -5.530 1.668 216 HZ2 LYS 25 HZ2 LYS 25 11.567 -4.499 1.896 217 HZ3 LYS 25 HZ3 LYS 25 10.188 -3.943 1.088 218 H ARG 26 HN ARG 26 4.288 -4.731 4.306 219 HA ARG 26 HA ARG 26 4.340 -7.306 5.239 220 HB2 ARG 26 HB1 ARG 26 3.305 -5.157 6.260 221 HB3 ARG 26 HB2 ARG 26 1.817 -5.679 5.433 222 HG2 ARG 26 HG1 ARG 26 1.792 -7.748 6.680 223 HG3 ARG 26 HG2 ARG 26 3.363 -7.361 7.422 224 HD2 ARG 26 HD1 ARG 26 0.991 -5.521 7.722 225 HD3 ARG 26 HD2 ARG 26 1.211 -6.929 8.790 226 HE ARG 26 HE ARG 26 3.609 -5.576 8.842 227 HH11 ARG 26 1HH1 ARG 26 0.289 -4.832 9.578 228 HH12 ARG 26 2HH1 ARG 26 0.686 -3.671 10.802 229 HH21 ARG 26 1HH2 ARG 26 4.144 -4.051 10.450 230 HH22 ARG 26 2HH2 ARG 26 2.877 -3.228 11.297 231 H ALA 27 HN ALA 27 2.188 -5.934 2.807 232 HA ALA 27 HA ALA 27 0.409 -8.087 2.572 233 HB1 ALA 27 HB1 ALA 27 -0.138 -7.166 0.355 234 HB2 ALA 27 HB2 ALA 27 1.281 -6.097 0.465 235 HB3 ALA 27 HB3 ALA 27 -0.070 -5.904 1.608 236 H THR 28 HN THR 28 3.398 -7.363 0.788 237 HA THR 28 HA THR 28 3.319 -9.591 -0.921 238 HB THR 28 HB THR 28 5.977 -8.599 -0.026 239 HG1 THR 28 HG1 THR 28 5.000 -6.637 -0.061 240 HG21 THR 28 3HG2 THR 28 5.777 -10.167 -1.897 241 HG22 THR 28 1HG2 THR 28 6.401 -8.595 -2.449 242 HG23 THR 28 2HG2 THR 28 4.700 -9.029 -2.740 243 H GLN 29 HN GLN 29 4.127 -9.301 2.414 244 HA GLN 29 HA GLN 29 5.705 -11.697 2.562 245 HB2 GLN 29 HB1 GLN 29 4.651 -9.685 4.485 246 HB3 GLN 29 HB2 GLN 29 5.027 -11.304 5.122 247 HG2 GLN 29 HG1 GLN 29 6.855 -9.524 5.247 248 HG3 GLN 29 HG2 GLN 29 7.297 -11.118 4.588 249 HE21 GLN 29 1HE2 GLN 29 7.243 -7.781 4.054 250 HE22 GLN 29 2HE2 GLN 29 7.754 -7.784 2.405 251 H ILE 30 HN ILE 30 2.416 -11.060 2.289 252 HA ILE 30 HA ILE 30 1.766 -13.749 3.303 253 HB ILE 30 HB ILE 30 -0.078 -11.361 3.362 254 HG12 ILE 30 1HG1 ILE 30 1.281 -12.763 5.674 255 HG13 ILE 30 2HG1 ILE 30 1.841 -11.229 4.966 256 HG21 ILE 30 1HG2 ILE 30 -1.534 -12.820 4.704 257 HG22 ILE 30 2HG2 ILE 30 -0.383 -14.157 4.474 258 HG23 ILE 30 3HG2 ILE 30 -1.250 -13.479 3.075 259 HD11 ILE 30 3HD1 ILE 30 -0.283 -10.168 5.582 260 HD12 ILE 30 1HD1 ILE 30 0.545 -10.847 7.003 261 HD13 ILE 30 2HD1 ILE 30 -0.843 -11.702 6.290 262 HA PRO 31 HA PRO 31 0.698 -13.330 -1.226 263 HB2 PRO 31 HB1 PRO 31 1.993 -15.611 -2.004 264 HB3 PRO 31 HB2 PRO 31 2.801 -14.027 -1.911 265 HG2 PRO 31 HG1 PRO 31 2.816 -16.299 0.059 266 HG3 PRO 31 HG2 PRO 31 4.162 -15.273 -0.492 267 HD2 PRO 31 HD1 PRO 31 2.895 -14.868 1.885 268 HD3 PRO 31 HD2 PRO 31 3.586 -13.531 0.934 269 H SER 32 HN SER 32 -0.040 -15.245 1.371 270 HA SER 32 HA SER 32 -1.171 -17.561 0.433 271 HB2 SER 32 HB1 SER 32 -2.643 -15.906 2.471 272 HB3 SER 32 HB2 SER 32 -2.399 -17.669 2.420 273 HG SER 32 HG SER 32 -0.065 -17.059 2.698 274 H TYR 33 HN TYR 33 -2.508 -14.300 0.335 275 HA TYR 33 HA TYR 33 -5.110 -14.775 -0.390 276 HB2 TYR 33 HB1 TYR 33 -5.057 -12.614 -1.572 277 HB3 TYR 33 HB2 TYR 33 -4.257 -12.535 0.016 278 HD1 TYR 33 HD1 TYR 33 -3.516 -12.966 -3.623 279 HD2 TYR 33 HD2 TYR 33 -2.086 -11.686 0.174 280 HE1 TYR 33 HE1 TYR 33 -1.491 -12.072 -4.695 281 HE2 TYR 33 HE2 TYR 33 -0.058 -10.785 -0.887 282 HH TYR 33 HH TYR 33 0.926 -11.575 -3.933 283 H LYS 34 HN LYS 34 -2.237 -15.290 -2.256 284 HA LYS 34 HA LYS 34 -3.127 -15.244 -4.855 285 HB2 LYS 34 HB1 LYS 34 -1.134 -16.979 -3.424 286 HB3 LYS 34 HB2 LYS 34 -1.493 -17.254 -5.146 287 HG2 LYS 34 HG1 LYS 34 -0.555 -15.251 -5.802 288 HG3 LYS 34 HG2 LYS 34 -0.776 -14.501 -4.202 289 HD2 LYS 34 HD1 LYS 34 1.426 -14.907 -3.953 290 HD3 LYS 34 HD2 LYS 34 0.902 -16.571 -3.599 291 HE2 LYS 34 HE1 LYS 34 2.612 -16.782 -5.217 292 HE3 LYS 34 HE2 LYS 34 1.086 -17.004 -6.107 293 HZ1 LYS 34 HZ1 LYS 34 2.776 -14.559 -6.024 294 HZ2 LYS 34 HZ2 LYS 34 1.238 -14.615 -6.723 295 HZ3 LYS 34 HZ3 LYS 34 2.489 -15.562 -7.356 296 H LYS 35 HN LYS 35 -3.936 -17.487 -2.345 297 HA LYS 35 HA LYS 35 -5.125 -19.385 -4.206 298 HB2 LYS 35 HB1 LYS 35 -4.119 -20.552 -2.476 299 HB3 LYS 35 HB2 LYS 35 -4.588 -19.340 -1.259 300 HG2 LYS 35 HG1 LYS 35 -6.629 -20.277 -0.908 301 HG3 LYS 35 HG2 LYS 35 -6.787 -20.835 -2.591 302 HD2 LYS 35 HD1 LYS 35 -4.685 -22.089 -0.870 303 HD3 LYS 35 HD2 LYS 35 -6.386 -22.532 -0.586 304 HE2 LYS 35 HE1 LYS 35 -6.413 -22.825 -3.210 305 HE3 LYS 35 HE2 LYS 35 -4.656 -23.004 -2.992 306 HZ1 LYS 35 HZ1 LYS 35 -5.181 -24.748 -1.306 307 HZ2 LYS 35 HZ2 LYS 35 -5.622 -25.152 -2.889 308 HZ3 LYS 35 HZ3 LYS 35 -6.803 -24.664 -1.781 309 H LEU 36 HN LEU 36 -6.084 -16.971 -1.839 310 HA LEU 36 HA LEU 36 -8.864 -17.598 -1.901 311 HB2 LEU 36 HB1 LEU 36 -9.073 -16.034 -0.305 312 HB3 LEU 36 HB2 LEU 36 -7.296 -16.121 -0.264 313 HG LEU 36 HG LEU 36 -7.498 -14.210 -2.073 314 HD11 LEU 36 1HD1 LEU 36 -9.392 -12.722 -1.628 315 HD12 LEU 36 2HD1 LEU 36 -10.083 -13.937 -0.527 316 HD13 LEU 36 3HD1 LEU 36 -9.929 -14.295 -2.264 317 HD21 LEU 36 3HD2 LEU 36 -7.951 -13.769 0.886 318 HD22 LEU 36 1HD2 LEU 36 -7.341 -12.559 -0.268 319 HD23 LEU 36 2HD2 LEU 36 -6.379 -14.013 0.090 320 H ILE 37 HN ILE 37 -6.755 -15.691 -3.875 321 HA ILE 37 HA ILE 37 -8.871 -14.174 -5.116 322 HB ILE 37 HB ILE 37 -7.076 -13.459 -6.709 323 HG12 ILE 37 1HG1 ILE 37 -4.804 -14.225 -5.192 324 HG13 ILE 37 2HG1 ILE 37 -5.746 -15.702 -5.509 325 HG21 ILE 37 1HG2 ILE 37 -5.858 -12.097 -5.062 326 HG22 ILE 37 2HG2 ILE 37 -6.483 -13.136 -3.759 327 HG23 ILE 37 3HG2 ILE 37 -7.604 -12.147 -4.725 328 HD11 ILE 37 3HD1 ILE 37 -5.707 -15.211 -7.910 329 HD12 ILE 37 1HD1 ILE 37 -4.062 -15.331 -7.240 330 HD13 ILE 37 2HD1 ILE 37 -4.765 -13.734 -7.593 331 H MET 38 HN MET 38 -7.045 -17.089 -5.787 332 HA MET 38 HA MET 38 -8.566 -17.431 -8.285 333 HB2 MET 38 HB1 MET 38 -6.820 -18.749 -9.157 334 HB3 MET 38 HB2 MET 38 -6.013 -17.376 -8.361 335 HG2 MET 38 HG1 MET 38 -5.806 -18.923 -6.326 336 HG3 MET 38 HG2 MET 38 -6.216 -20.240 -7.452 337 HE1 MET 38 HE1 MET 38 -2.286 -20.486 -6.791 338 HE2 MET 38 HE2 MET 38 -3.848 -21.314 -6.587 339 HE3 MET 38 HE3 MET 38 -3.485 -19.852 -5.639 340 H TYR 39 HN TYR 39 -8.295 -20.112 -8.683 341 HA TYR 39 HA TYR 39 -10.373 -21.213 -7.217 342 HB2 TYR 39 HB1 TYR 39 -9.817 -23.322 -8.203 343 HB3 TYR 39 HB2 TYR 39 -9.500 -22.048 -9.405 344 HD1 TYR 39 HD2 TYR 39 -7.213 -21.507 -10.062 345 HD2 TYR 39 HD1 TYR 39 -7.982 -24.576 -7.217 346 HE1 TYR 39 HE2 TYR 39 -4.910 -22.329 -10.334 347 HE2 TYR 39 HE1 TYR 39 -5.680 -25.404 -7.479 348 HH TYR 39 HH TYR 39 -3.363 -23.750 -9.594 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -9.779 25.037 5.905 2 H2 GLY 1 HT2 GLY 1 -10.205 23.992 7.239 3 H3 GLY 1 HT3 GLY 1 -10.956 23.766 5.678 4 HA2 GLY 1 HA1 GLY 1 -8.837 23.193 4.736 5 HA3 GLY 1 HA2 GLY 1 -8.081 23.420 6.306 6 H ILE 2 HN ILE 2 -9.600 21.231 4.239 7 HA ILE 2 HA ILE 2 -10.746 19.425 6.068 8 HB ILE 2 HB ILE 2 -10.600 17.758 4.285 9 HG12 ILE 2 1HG1 ILE 2 -9.644 18.888 2.044 10 HG13 ILE 2 2HG1 ILE 2 -8.599 19.694 3.239 11 HG21 ILE 2 1HG2 ILE 2 -11.890 18.959 2.571 12 HG22 ILE 2 2HG2 ILE 2 -11.382 20.506 3.290 13 HG23 ILE 2 3HG2 ILE 2 -12.410 19.388 4.218 14 HD11 ILE 2 3HD1 ILE 2 -7.877 17.508 4.083 15 HD12 ILE 2 1HD1 ILE 2 -7.539 17.682 2.344 16 HD13 ILE 2 2HD1 ILE 2 -8.921 16.702 2.888 17 H HIS 3 HN HIS 3 -7.462 20.005 5.104 18 HA HIS 3 HA HIS 3 -6.308 17.553 5.844 19 HB2 HIS 3 HB1 HIS 3 -5.400 20.227 5.154 20 HB3 HIS 3 HB2 HIS 3 -4.396 19.494 6.428 21 HD1 HIS 3 HD1 HIS 3 -2.551 18.073 5.584 22 HD2 HIS 3 HD2 HIS 3 -5.650 18.344 2.830 23 HE1 HIS 3 HE1 HIS 3 -1.762 16.808 3.559 24 H LYS 4 HN LYS 4 -4.470 17.751 7.699 25 HA LYS 4 HA LYS 4 -5.895 18.539 10.155 26 HB2 LYS 4 HB1 LYS 4 -3.956 16.232 9.909 27 HB3 LYS 4 HB2 LYS 4 -5.000 16.633 11.294 28 HG2 LYS 4 HG1 LYS 4 -6.021 15.809 8.565 29 HG3 LYS 4 HG2 LYS 4 -5.789 14.695 9.934 30 HD2 LYS 4 HD1 LYS 4 -7.378 17.157 10.460 31 HD3 LYS 4 HD2 LYS 4 -8.127 15.925 9.416 32 HE2 LYS 4 HE1 LYS 4 -7.663 14.221 11.171 33 HE3 LYS 4 HE2 LYS 4 -7.041 15.518 12.220 34 HZ1 LYS 4 HZ1 LYS 4 -9.418 16.516 11.586 35 HZ2 LYS 4 HZ2 LYS 4 -9.169 15.516 12.928 36 HZ3 LYS 4 HZ3 LYS 4 -9.787 14.868 11.493 37 H GLN 5 HN GLN 5 -3.942 18.148 12.004 38 HA GLN 5 HA GLN 5 -2.423 20.477 11.857 39 HB2 GLN 5 HB1 GLN 5 -3.030 18.999 13.893 40 HB3 GLN 5 HB2 GLN 5 -1.550 18.099 13.481 41 HG2 GLN 5 HG1 GLN 5 -0.197 20.057 13.799 42 HG3 GLN 5 HG2 GLN 5 -1.642 21.075 14.015 43 HE21 GLN 5 1HE2 GLN 5 -3.172 19.855 15.750 44 HE22 GLN 5 2HE2 GLN 5 -2.369 19.562 17.251 45 H LYS 6 HN LYS 6 -1.823 17.335 10.566 46 HA LYS 6 HA LYS 6 0.906 17.167 10.392 47 HB2 LYS 6 HB1 LYS 6 -1.177 16.442 8.320 48 HB3 LYS 6 HB2 LYS 6 0.536 15.970 8.210 49 HG2 LYS 6 HG1 LYS 6 0.352 14.396 9.842 50 HG3 LYS 6 HG2 LYS 6 -0.905 15.296 10.725 51 HD2 LYS 6 HD1 LYS 6 -2.251 13.669 9.898 52 HD3 LYS 6 HD2 LYS 6 -2.256 14.714 8.457 53 HE2 LYS 6 HE1 LYS 6 -0.531 13.401 7.415 54 HE3 LYS 6 HE2 LYS 6 -0.286 12.453 8.902 55 HZ1 LYS 6 HZ1 LYS 6 -2.902 12.074 8.425 56 HZ2 LYS 6 HZ2 LYS 6 -1.677 11.028 7.909 57 HZ3 LYS 6 HZ3 LYS 6 -2.308 12.183 6.846 58 H GLU 7 HN GLU 7 -1.255 19.224 8.547 59 HA GLU 7 HA GLU 7 0.316 20.028 6.450 60 HB2 GLU 7 HB1 GLU 7 -1.746 21.409 8.119 61 HB3 GLU 7 HB2 GLU 7 -0.809 22.371 6.950 62 HG2 GLU 7 HG1 GLU 7 -1.544 20.920 5.138 63 HG3 GLU 7 HG2 GLU 7 -2.442 19.907 6.295 64 H LYS 8 HN LYS 8 0.398 21.239 9.779 65 HA LYS 8 HA LYS 8 2.156 23.328 9.554 66 HB2 LYS 8 HB1 LYS 8 1.947 21.241 11.735 67 HB3 LYS 8 HB2 LYS 8 2.917 22.726 11.880 68 HG2 LYS 8 HG1 LYS 8 -0.078 22.584 11.452 69 HG3 LYS 8 HG2 LYS 8 0.751 22.965 12.981 70 HD2 LYS 8 HD1 LYS 8 1.911 24.824 11.480 71 HD3 LYS 8 HD2 LYS 8 0.437 24.618 10.503 72 HE2 LYS 8 HE1 LYS 8 -0.967 25.174 12.367 73 HE3 LYS 8 HE2 LYS 8 0.413 25.133 13.490 74 HZ1 LYS 8 HZ1 LYS 8 1.360 27.024 12.237 75 HZ2 LYS 8 HZ2 LYS 8 -0.115 27.392 12.977 76 HZ3 LYS 8 HZ3 LYS 8 -0.053 27.104 11.310 77 H SER 9 HN SER 9 2.918 19.878 9.713 78 HA SER 9 HA SER 9 5.678 20.020 9.937 79 HB2 SER 9 HB1 SER 9 5.745 17.772 9.272 80 HB3 SER 9 HB2 SER 9 4.107 17.957 9.944 81 HG SER 9 HG SER 9 4.006 16.899 7.948 82 H ARG 10 HN ARG 10 7.280 20.635 8.631 83 HA ARG 10 HA ARG 10 6.635 21.707 6.026 84 HB2 ARG 10 HB1 ARG 10 8.156 22.912 7.530 85 HB3 ARG 10 HB2 ARG 10 9.282 21.534 7.488 86 HG2 ARG 10 HG1 ARG 10 10.283 22.806 5.905 87 HG3 ARG 10 HG2 ARG 10 9.087 22.010 4.854 88 HD2 ARG 10 HD1 ARG 10 7.639 23.897 4.916 89 HD3 ARG 10 HD2 ARG 10 8.561 24.647 6.242 90 HE ARG 10 HE ARG 10 10.368 24.426 4.212 91 HH11 ARG 10 1HH1 ARG 10 7.199 25.834 4.514 92 HH12 ARG 10 2HH1 ARG 10 7.496 27.075 3.341 93 HH21 ARG 10 1HH2 ARG 10 10.772 26.055 2.666 94 HH22 ARG 10 2HH2 ARG 10 9.528 27.199 2.290 95 H LEU 11 HN LEU 11 9.368 19.646 7.013 96 HA LEU 11 HA LEU 11 9.066 18.191 4.475 97 HB2 LEU 11 HB1 LEU 11 11.475 17.476 5.001 98 HB3 LEU 11 HB2 LEU 11 11.184 19.143 4.448 99 HG LEU 11 HG LEU 11 11.300 18.631 7.386 100 HD11 LEU 11 1HD1 LEU 11 13.741 18.842 7.377 101 HD12 LEU 11 2HD1 LEU 11 13.738 18.771 5.599 102 HD13 LEU 11 3HD1 LEU 11 13.209 17.361 6.547 103 HD21 LEU 11 3HD2 LEU 11 12.262 20.866 5.586 104 HD22 LEU 11 1HD2 LEU 11 12.322 20.859 7.364 105 HD23 LEU 11 2HD2 LEU 11 10.751 20.851 6.527 106 H GLN 12 HN GLN 12 9.217 17.870 7.934 107 HA GLN 12 HA GLN 12 9.783 15.217 8.320 108 HB2 GLN 12 HB1 GLN 12 9.087 17.134 9.984 109 HB3 GLN 12 HB2 GLN 12 7.470 16.411 9.804 110 HG2 GLN 12 HG1 GLN 12 8.305 15.336 11.674 111 HG3 GLN 12 HG2 GLN 12 8.665 14.182 10.367 112 HE21 GLN 12 1HE2 GLN 12 10.780 13.829 9.770 113 HE22 GLN 12 2HE2 GLN 12 12.126 14.388 10.696 114 H GLY 13 HN GLY 13 6.783 16.643 7.153 115 HA2 GLY 13 HA1 GLY 13 5.012 14.561 7.362 116 HA3 GLY 13 HA2 GLY 13 5.033 15.682 6.010 117 H GLY 14 HN GLY 14 7.616 14.920 5.009 118 HA2 GLY 14 HA1 GLY 14 6.972 13.010 3.148 119 HA3 GLY 14 HA2 GLY 14 8.618 13.343 3.665 120 H VAL 15 HN VAL 15 8.151 12.490 6.414 121 HA VAL 15 HA VAL 15 9.008 9.888 6.331 122 HB VAL 15 HB VAL 15 8.926 11.419 8.352 123 HG11 VAL 15 1HG1 VAL 15 6.965 11.218 9.820 124 HG12 VAL 15 2HG1 VAL 15 6.130 10.280 8.559 125 HG13 VAL 15 3HG1 VAL 15 6.556 11.984 8.266 126 HG21 VAL 15 3HG2 VAL 15 8.029 8.549 8.693 127 HG22 VAL 15 1HG2 VAL 15 8.789 9.556 9.949 128 HG23 VAL 15 2HG2 VAL 15 9.705 9.112 8.490 129 H LEU 16 HN LEU 16 5.728 11.085 6.158 130 HA LEU 16 HA LEU 16 4.224 8.877 6.771 131 HB2 LEU 16 HB1 LEU 16 3.251 11.027 6.193 132 HB3 LEU 16 HB2 LEU 16 3.796 10.837 4.509 133 HG LEU 16 HG LEU 16 2.230 9.030 4.166 134 HD11 LEU 16 1HD1 LEU 16 0.649 8.336 5.904 135 HD12 LEU 16 2HD1 LEU 16 1.470 9.401 7.070 136 HD13 LEU 16 3HD1 LEU 16 2.332 8.006 6.378 137 HD21 LEU 16 3HD2 LEU 16 0.919 11.384 5.543 138 HD22 LEU 16 1HD2 LEU 16 0.119 10.246 4.432 139 HD23 LEU 16 2HD2 LEU 16 1.414 11.310 3.835 140 H VAL 17 HN VAL 17 5.550 9.660 3.554 141 HA VAL 17 HA VAL 17 4.688 7.486 2.127 142 HB VAL 17 HB VAL 17 7.439 8.711 1.903 143 HG11 VAL 17 1HG1 VAL 17 7.309 8.005 -0.448 144 HG12 VAL 17 2HG1 VAL 17 5.743 7.228 -0.115 145 HG13 VAL 17 3HG1 VAL 17 7.222 6.620 0.666 146 HG21 VAL 17 3HG2 VAL 17 4.835 9.523 0.595 147 HG22 VAL 17 1HG2 VAL 17 6.436 10.212 0.235 148 HG23 VAL 17 2HG2 VAL 17 5.713 10.434 1.846 149 H ASN 18 HN ASN 18 7.736 7.690 3.966 150 HA ASN 18 HA ASN 18 8.743 5.183 3.515 151 HB2 ASN 18 HB1 ASN 18 9.271 7.292 5.291 152 HB3 ASN 18 HB2 ASN 18 9.045 5.855 6.318 153 HD21 ASN 18 1HD2 ASN 18 11.416 7.548 5.353 154 HD22 ASN 18 2HD2 ASN 18 12.573 6.368 4.850 155 H GLU 19 HN GLU 19 6.642 6.069 6.261 156 HA GLU 19 HA GLU 19 6.299 3.599 7.395 157 HB2 GLU 19 HB1 GLU 19 4.268 5.818 7.068 158 HB3 GLU 19 HB2 GLU 19 4.048 4.414 8.140 159 HG2 GLU 19 HG1 GLU 19 5.964 5.072 9.461 160 HG3 GLU 19 HG2 GLU 19 6.311 6.414 8.345 161 H ILE 20 HN ILE 20 4.308 5.013 4.805 162 HA ILE 20 HA ILE 20 2.486 3.006 4.416 163 HB ILE 20 HB ILE 20 3.851 4.631 2.267 164 HG12 ILE 20 1HG1 ILE 20 2.761 5.976 4.019 165 HG13 ILE 20 2HG1 ILE 20 1.933 6.120 2.450 166 HG21 ILE 20 1HG2 ILE 20 1.856 4.158 0.907 167 HG22 ILE 20 2HG2 ILE 20 1.253 3.081 2.189 168 HG23 ILE 20 3HG2 ILE 20 2.751 2.676 1.318 169 HD11 ILE 20 3HD1 ILE 20 0.222 4.535 3.208 170 HD12 ILE 20 1HD1 ILE 20 0.332 5.945 4.289 171 HD13 ILE 20 2HD1 ILE 20 1.051 4.391 4.776 172 H LEU 21 HN LEU 21 5.756 3.208 3.043 173 HA LEU 21 HA LEU 21 5.774 1.015 1.400 174 HB2 LEU 21 HB1 LEU 21 8.056 1.674 3.258 175 HB3 LEU 21 HB2 LEU 21 8.136 0.942 1.637 176 HG LEU 21 HG LEU 21 7.502 3.812 2.333 177 HD11 LEU 21 1HD1 LEU 21 9.495 4.280 0.987 178 HD12 LEU 21 2HD1 LEU 21 9.736 2.533 0.745 179 HD13 LEU 21 3HD1 LEU 21 9.870 3.233 2.376 180 HD21 LEU 21 3HD2 LEU 21 7.422 2.439 -0.364 181 HD22 LEU 21 1HD2 LEU 21 7.272 4.190 -0.081 182 HD23 LEU 21 2HD2 LEU 21 6.024 3.078 0.532 183 H ASN 22 HN ASN 22 6.497 1.040 4.888 184 HA ASN 22 HA ASN 22 7.077 -1.609 5.290 185 HB2 ASN 22 HB1 ASN 22 6.182 0.617 6.917 186 HB3 ASN 22 HB2 ASN 22 5.470 -0.913 7.485 187 HD21 ASN 22 1HD2 ASN 22 8.491 0.738 6.755 188 HD22 ASN 22 2HD2 ASN 22 9.488 -0.233 7.778 189 H HIS 23 HN HIS 23 3.828 -0.174 5.645 190 HA HIS 23 HA HIS 23 2.381 -2.472 6.064 191 HB2 HIS 23 HB1 HIS 23 1.477 -0.123 4.382 192 HB3 HIS 23 HB2 HIS 23 0.434 -1.288 5.233 193 HD1 HIS 23 HD1 HIS 23 2.652 1.682 5.832 194 HD2 HIS 23 HD2 HIS 23 0.142 -0.838 7.978 195 HE1 HIS 23 HE1 HIS 23 2.353 2.782 8.075 196 H MET 24 HN MET 24 2.875 -0.911 2.891 197 HA MET 24 HA MET 24 1.673 -2.780 1.281 198 HB2 MET 24 HB1 MET 24 4.246 -1.315 0.646 199 HB3 MET 24 HB2 MET 24 3.099 -2.001 -0.529 200 HG2 MET 24 HG1 MET 24 1.857 -0.126 1.342 201 HG3 MET 24 HG2 MET 24 3.154 0.605 0.366 202 HE1 MET 24 HE1 MET 24 -1.003 0.498 -0.894 203 HE2 MET 24 HE2 MET 24 -0.062 1.326 0.369 204 HE3 MET 24 HE3 MET 24 -0.489 -0.392 0.559 205 H LYS 25 HN LYS 25 5.144 -2.715 2.108 206 HA LYS 25 HA LYS 25 5.956 -5.030 0.888 207 HB2 LYS 25 HB1 LYS 25 6.848 -4.045 3.611 208 HB3 LYS 25 HB2 LYS 25 7.745 -5.166 2.557 209 HG2 LYS 25 HG1 LYS 25 6.993 -2.551 1.371 210 HG3 LYS 25 HG2 LYS 25 8.216 -2.518 2.664 211 HD2 LYS 25 HD1 LYS 25 8.494 -4.551 0.484 212 HD3 LYS 25 HD2 LYS 25 8.891 -2.854 0.120 213 HE2 LYS 25 HE1 LYS 25 10.939 -3.625 0.841 214 HE3 LYS 25 HE2 LYS 25 10.256 -3.022 2.371 215 HZ1 LYS 25 HZ1 LYS 25 11.256 -5.499 1.984 216 HZ2 LYS 25 HZ2 LYS 25 9.599 -5.773 1.788 217 HZ3 LYS 25 HZ3 LYS 25 10.178 -5.073 3.218 218 H ARG 26 HN ARG 26 4.748 -4.758 4.233 219 HA ARG 26 HA ARG 26 4.853 -7.386 4.997 220 HB2 ARG 26 HB1 ARG 26 2.970 -5.148 5.647 221 HB3 ARG 26 HB2 ARG 26 2.634 -6.781 6.271 222 HG2 ARG 26 HG1 ARG 26 5.177 -6.612 7.028 223 HG3 ARG 26 HG2 ARG 26 4.818 -4.869 6.968 224 HD2 ARG 26 HD1 ARG 26 3.350 -6.987 8.568 225 HD3 ARG 26 HD2 ARG 26 4.398 -5.696 9.203 226 HE ARG 26 HE ARG 26 2.368 -4.470 7.752 227 HH11 ARG 26 1HH1 ARG 26 2.690 -6.462 10.588 228 HH12 ARG 26 2HH1 ARG 26 1.297 -5.796 11.373 229 HH21 ARG 26 1HH2 ARG 26 0.532 -3.585 8.775 230 HH22 ARG 26 2HH2 ARG 26 0.070 -4.160 10.342 231 H ALA 27 HN ALA 27 2.425 -5.820 2.978 232 HA ALA 27 HA ALA 27 0.534 -7.869 2.875 233 HB1 ALA 27 HB1 ALA 27 -0.212 -6.854 0.761 234 HB2 ALA 27 HB2 ALA 27 1.270 -5.870 0.726 235 HB3 ALA 27 HB3 ALA 27 0.077 -5.635 2.026 236 H THR 28 HN THR 28 3.328 -7.261 0.761 237 HA THR 28 HA THR 28 2.924 -9.422 -0.979 238 HB THR 28 HB THR 28 5.719 -8.619 -0.348 239 HG1 THR 28 HG1 THR 28 4.879 -6.603 -0.260 240 HG21 THR 28 3HG2 THR 28 5.239 -10.134 -2.212 241 HG22 THR 28 1HG2 THR 28 5.897 -8.589 -2.801 242 HG23 THR 28 2HG2 THR 28 4.152 -8.919 -2.925 243 H GLN 29 HN GLN 29 4.105 -9.304 2.252 244 HA GLN 29 HA GLN 29 5.542 -11.785 2.166 245 HB2 GLN 29 HB1 GLN 29 4.470 -10.373 4.613 246 HB3 GLN 29 HB2 GLN 29 5.812 -11.539 4.531 247 HG2 GLN 29 HG1 GLN 29 5.731 -8.671 3.607 248 HG3 GLN 29 HG2 GLN 29 6.843 -9.447 4.761 249 HE21 GLN 29 1HE2 GLN 29 7.213 -7.913 2.189 250 HE22 GLN 29 2HE2 GLN 29 8.254 -8.912 1.241 251 H ILE 30 HN ILE 30 2.280 -10.974 2.226 252 HA ILE 30 HA ILE 30 1.578 -13.646 3.258 253 HB ILE 30 HB ILE 30 -0.163 -11.182 3.376 254 HG12 ILE 30 1HG1 ILE 30 1.751 -10.967 4.882 255 HG13 ILE 30 2HG1 ILE 30 0.242 -11.215 5.795 256 HG21 ILE 30 1HG2 ILE 30 -1.592 -12.561 4.828 257 HG22 ILE 30 2HG2 ILE 30 -0.507 -13.946 4.559 258 HG23 ILE 30 3HG2 ILE 30 -1.427 -13.259 3.199 259 HD11 ILE 30 3HD1 ILE 30 0.820 -13.579 6.107 260 HD12 ILE 30 1HD1 ILE 30 2.085 -12.507 6.753 261 HD13 ILE 30 2HD1 ILE 30 2.327 -13.332 5.194 262 HA PRO 31 HA PRO 31 0.292 -13.237 -1.214 263 HB2 PRO 31 HB1 PRO 31 1.436 -15.590 -2.019 264 HB3 PRO 31 HB2 PRO 31 2.321 -14.046 -1.992 265 HG2 PRO 31 HG1 PRO 31 2.329 -16.286 0.011 266 HG3 PRO 31 HG2 PRO 31 3.692 -15.335 -0.626 267 HD2 PRO 31 HD1 PRO 31 2.575 -14.837 1.805 268 HD3 PRO 31 HD2 PRO 31 3.277 -13.548 0.798 269 H SER 32 HN SER 32 -0.419 -15.057 1.450 270 HA SER 32 HA SER 32 -1.690 -17.342 0.632 271 HB2 SER 32 HB1 SER 32 -2.507 -15.368 2.783 272 HB3 SER 32 HB2 SER 32 -3.260 -16.968 2.579 273 HG SER 32 HG SER 32 -1.511 -16.933 4.116 274 H TYR 33 HN TYR 33 -2.911 -14.030 0.510 275 HA TYR 33 HA TYR 33 -5.547 -14.427 -0.130 276 HB2 TYR 33 HB1 TYR 33 -5.458 -12.288 -1.348 277 HB3 TYR 33 HB2 TYR 33 -4.605 -12.211 0.213 278 HD1 TYR 33 HD1 TYR 33 -4.032 -12.651 -3.450 279 HD2 TYR 33 HD2 TYR 33 -2.369 -11.509 0.297 280 HE1 TYR 33 HE1 TYR 33 -2.012 -11.844 -4.598 281 HE2 TYR 33 HE2 TYR 33 -0.344 -10.699 -0.842 282 HH TYR 33 HH TYR 33 0.608 -11.519 -3.702 283 H LYS 34 HN LYS 34 -2.740 -14.965 -2.121 284 HA LYS 34 HA LYS 34 -3.777 -14.976 -4.668 285 HB2 LYS 34 HB1 LYS 34 -1.703 -16.739 -3.365 286 HB3 LYS 34 HB2 LYS 34 -2.101 -16.868 -5.096 287 HG2 LYS 34 HG1 LYS 34 -1.255 -14.745 -5.574 288 HG3 LYS 34 HG2 LYS 34 -1.316 -14.233 -3.870 289 HD2 LYS 34 HD1 LYS 34 0.930 -14.634 -4.062 290 HD3 LYS 34 HD2 LYS 34 0.384 -16.258 -3.580 291 HE2 LYS 34 HE1 LYS 34 0.166 -16.717 -6.110 292 HE3 LYS 34 HE2 LYS 34 1.156 -15.252 -6.321 293 HZ1 LYS 34 HZ1 LYS 34 2.544 -17.206 -6.294 294 HZ2 LYS 34 HZ2 LYS 34 1.923 -17.692 -4.798 295 HZ3 LYS 34 HZ3 LYS 34 2.856 -16.285 -4.909 296 H LYS 35 HN LYS 35 -4.285 -17.280 -2.103 297 HA LYS 35 HA LYS 35 -5.381 -19.346 -3.740 298 HB2 LYS 35 HB1 LYS 35 -4.638 -19.042 -1.041 299 HB3 LYS 35 HB2 LYS 35 -6.380 -19.409 -1.030 300 HG2 LYS 35 HG1 LYS 35 -6.039 -21.457 -2.202 301 HG3 LYS 35 HG2 LYS 35 -4.340 -21.051 -2.544 302 HD2 LYS 35 HD1 LYS 35 -3.879 -22.290 -0.724 303 HD3 LYS 35 HD2 LYS 35 -4.431 -20.868 0.195 304 HE2 LYS 35 HE1 LYS 35 -6.483 -22.833 -0.736 305 HE3 LYS 35 HE2 LYS 35 -5.430 -23.298 0.622 306 HZ1 LYS 35 HZ1 LYS 35 -7.313 -21.013 0.460 307 HZ2 LYS 35 HZ2 LYS 35 -6.097 -21.090 1.633 308 HZ3 LYS 35 HZ3 LYS 35 -7.295 -22.284 1.577 309 H LEU 36 HN LEU 36 -6.746 -16.702 -1.829 310 HA LEU 36 HA LEU 36 -9.437 -17.342 -1.989 311 HB2 LEU 36 HB1 LEU 36 -9.858 -15.244 -1.210 312 HB3 LEU 36 HB2 LEU 36 -8.125 -15.371 -0.824 313 HG LEU 36 HG LEU 36 -7.910 -14.245 -3.229 314 HD11 LEU 36 1HD1 LEU 36 -9.664 -12.566 -3.557 315 HD12 LEU 36 2HD1 LEU 36 -10.581 -13.265 -2.201 316 HD13 LEU 36 3HD1 LEU 36 -10.309 -14.220 -3.678 317 HD21 LEU 36 3HD2 LEU 36 -8.581 -12.762 -0.679 318 HD22 LEU 36 1HD2 LEU 36 -7.741 -12.080 -2.092 319 HD23 LEU 36 2HD2 LEU 36 -6.979 -13.380 -1.145 320 H ILE 37 HN ILE 37 -7.299 -16.122 -4.431 321 HA ILE 37 HA ILE 37 -9.553 -15.636 -6.247 322 HB ILE 37 HB ILE 37 -7.875 -14.598 -7.745 323 HG12 ILE 37 1HG1 ILE 37 -6.003 -15.074 -5.411 324 HG13 ILE 37 2HG1 ILE 37 -5.914 -15.865 -7.003 325 HG21 ILE 37 1HG2 ILE 37 -7.513 -12.574 -6.395 326 HG22 ILE 37 2HG2 ILE 37 -7.945 -13.489 -4.931 327 HG23 ILE 37 3HG2 ILE 37 -9.161 -13.218 -6.202 328 HD11 ILE 37 3HD1 ILE 37 -5.467 -13.696 -8.056 329 HD12 ILE 37 1HD1 ILE 37 -4.260 -14.075 -6.805 330 HD13 ILE 37 2HD1 ILE 37 -5.556 -12.904 -6.464 331 H MET 38 HN MET 38 -6.710 -17.629 -5.776 332 HA MET 38 HA MET 38 -6.723 -18.839 -8.346 333 HB2 MET 38 HB1 MET 38 -5.396 -19.368 -5.728 334 HB3 MET 38 HB2 MET 38 -5.453 -20.693 -6.915 335 HG2 MET 38 HG1 MET 38 -4.580 -18.744 -8.522 336 HG3 MET 38 HG2 MET 38 -3.957 -18.121 -6.975 337 HE1 MET 38 HE1 MET 38 -0.577 -19.573 -7.711 338 HE2 MET 38 HE2 MET 38 -1.515 -18.410 -6.743 339 HE3 MET 38 HE3 MET 38 -1.605 -18.365 -8.520 340 H TYR 39 HN TYR 39 -6.862 -21.394 -8.358 341 HA TYR 39 HA TYR 39 -9.545 -22.082 -8.205 342 HB2 TYR 39 HB1 TYR 39 -8.882 -24.341 -8.652 343 HB3 TYR 39 HB2 TYR 39 -7.788 -23.256 -9.544 344 HD1 TYR 39 HD1 TYR 39 -5.497 -22.781 -8.523 345 HD2 TYR 39 HD2 TYR 39 -8.011 -25.928 -7.150 346 HE1 TYR 39 HE1 TYR 39 -3.554 -23.869 -7.476 347 HE2 TYR 39 HE2 TYR 39 -6.077 -27.023 -6.099 348 HH TYR 39 HH TYR 39 -3.190 -26.704 -6.775 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -8.735 19.573 7.117 2 H2 GLY 1 HT2 GLY 1 -9.695 18.825 8.370 3 H3 GLY 1 HT3 GLY 1 -8.785 17.832 7.257 4 HA2 GLY 1 HA1 GLY 1 -6.746 18.731 8.113 5 HA3 GLY 1 HA2 GLY 1 -7.660 19.729 9.234 6 H ILE 2 HN ILE 2 -6.077 16.815 8.824 7 HA ILE 2 HA ILE 2 -7.587 15.468 10.943 8 HB ILE 2 HB ILE 2 -5.283 14.322 9.378 9 HG12 ILE 2 1HG1 ILE 2 -7.477 13.124 8.318 10 HG13 ILE 2 2HG1 ILE 2 -8.110 14.761 8.619 11 HG21 ILE 2 1HG2 ILE 2 -6.269 12.171 10.039 12 HG22 ILE 2 2HG2 ILE 2 -7.526 13.041 10.949 13 HG23 ILE 2 3HG2 ILE 2 -5.822 13.161 11.448 14 HD11 ILE 2 3HD1 ILE 2 -6.279 15.712 7.293 15 HD12 ILE 2 1HD1 ILE 2 -7.237 14.549 6.346 16 HD13 ILE 2 2HD1 ILE 2 -5.647 14.076 6.991 17 H HIS 3 HN HIS 3 -4.247 16.373 10.120 18 HA HIS 3 HA HIS 3 -3.533 16.073 12.955 19 HB2 HIS 3 HB1 HIS 3 -1.153 16.174 12.063 20 HB3 HIS 3 HB2 HIS 3 -2.099 14.724 11.652 21 HD1 HIS 3 HD1 HIS 3 -2.079 18.105 9.894 22 HD2 HIS 3 HD2 HIS 3 -1.180 14.115 9.161 23 HE1 HIS 3 HE1 HIS 3 -1.524 17.979 7.444 24 H LYS 4 HN LYS 4 -2.069 17.676 13.877 25 HA LYS 4 HA LYS 4 -2.461 20.346 12.690 26 HB2 LYS 4 HB1 LYS 4 -2.621 19.409 15.541 27 HB3 LYS 4 HB2 LYS 4 -2.227 21.103 15.163 28 HG2 LYS 4 HG1 LYS 4 -4.479 21.314 15.352 29 HG3 LYS 4 HG2 LYS 4 -4.405 20.846 13.636 30 HD2 LYS 4 HD1 LYS 4 -4.973 18.588 14.130 31 HD3 LYS 4 HD2 LYS 4 -4.724 18.835 15.876 32 HE2 LYS 4 HE1 LYS 4 -6.841 20.268 14.247 33 HE3 LYS 4 HE2 LYS 4 -7.131 18.761 15.148 34 HZ1 LYS 4 HZ1 LYS 4 -7.711 20.223 16.747 35 HZ2 LYS 4 HZ2 LYS 4 -6.753 21.477 16.138 36 HZ3 LYS 4 HZ3 LYS 4 -6.047 20.245 17.057 37 H GLN 5 HN GLN 5 -0.421 18.725 15.132 38 HA GLN 5 HA GLN 5 1.725 20.458 15.059 39 HB2 GLN 5 HB1 GLN 5 1.345 18.522 16.643 40 HB3 GLN 5 HB2 GLN 5 1.986 17.462 15.364 41 HG2 GLN 5 HG1 GLN 5 4.064 18.928 15.398 42 HG3 GLN 5 HG2 GLN 5 3.416 19.632 16.899 43 HE21 GLN 5 1HE2 GLN 5 3.016 18.165 18.677 44 HE22 GLN 5 2HE2 GLN 5 4.003 16.762 18.863 45 H LYS 6 HN LYS 6 0.943 17.808 12.888 46 HA LYS 6 HA LYS 6 3.290 17.444 11.521 47 HB2 LYS 6 HB1 LYS 6 0.413 17.371 10.673 48 HB3 LYS 6 HB2 LYS 6 1.698 17.154 9.459 49 HG2 LYS 6 HG1 LYS 6 1.990 15.506 11.886 50 HG3 LYS 6 HG2 LYS 6 0.554 15.145 10.897 51 HD2 LYS 6 HD1 LYS 6 2.188 15.150 8.896 52 HD3 LYS 6 HD2 LYS 6 3.470 15.027 10.126 53 HE2 LYS 6 HE1 LYS 6 1.113 13.135 10.051 54 HE3 LYS 6 HE2 LYS 6 2.600 12.840 9.118 55 HZ1 LYS 6 HZ1 LYS 6 2.598 13.303 12.052 56 HZ2 LYS 6 HZ2 LYS 6 3.861 12.712 11.094 57 HZ3 LYS 6 HZ3 LYS 6 2.487 11.761 11.363 58 H GLU 7 HN GLU 7 0.810 19.905 10.838 59 HA GLU 7 HA GLU 7 1.901 21.120 8.637 60 HB2 GLU 7 HB1 GLU 7 0.431 22.309 10.992 61 HB3 GLU 7 HB2 GLU 7 0.881 23.268 9.561 62 HG2 GLU 7 HG1 GLU 7 -0.721 20.726 9.338 63 HG3 GLU 7 HG2 GLU 7 -1.487 22.299 9.669 64 H LYS 8 HN LYS 8 2.574 21.975 12.030 65 HA LYS 8 HA LYS 8 4.393 23.992 11.674 66 HB2 LYS 8 HB1 LYS 8 3.715 22.123 13.783 67 HB3 LYS 8 HB2 LYS 8 5.460 22.474 13.777 68 HG2 LYS 8 HG1 LYS 8 4.201 23.979 15.262 69 HG3 LYS 8 HG2 LYS 8 5.016 24.853 13.942 70 HD2 LYS 8 HD1 LYS 8 2.941 25.042 12.714 71 HD3 LYS 8 HD2 LYS 8 2.099 24.019 13.904 72 HE2 LYS 8 HE1 LYS 8 1.562 26.350 14.304 73 HE3 LYS 8 HE2 LYS 8 2.552 25.723 15.645 74 HZ1 LYS 8 HZ1 LYS 8 4.504 26.702 14.361 75 HZ2 LYS 8 HZ2 LYS 8 3.468 27.788 15.140 76 HZ3 LYS 8 HZ3 LYS 8 3.353 27.564 13.467 77 H SER 9 HN SER 9 4.909 20.532 11.347 78 HA SER 9 HA SER 9 7.760 20.858 10.935 79 HB2 SER 9 HB1 SER 9 6.875 18.879 12.134 80 HB3 SER 9 HB2 SER 9 6.027 18.385 10.649 81 HG SER 9 HG SER 9 8.808 18.473 11.168 82 H ARG 10 HN ARG 10 8.849 20.244 8.998 83 HA ARG 10 HA ARG 10 7.177 20.519 6.586 84 HB2 ARG 10 HB1 ARG 10 10.092 21.284 6.785 85 HB3 ARG 10 HB2 ARG 10 8.929 21.704 5.504 86 HG2 ARG 10 HG1 ARG 10 7.664 23.036 7.217 87 HG3 ARG 10 HG2 ARG 10 9.013 22.749 8.341 88 HD2 ARG 10 HD1 ARG 10 10.551 23.769 6.644 89 HD3 ARG 10 HD2 ARG 10 9.118 24.190 5.674 90 HE ARG 10 HE ARG 10 9.015 25.150 8.391 91 HH11 ARG 10 1HH1 ARG 10 10.107 25.809 5.152 92 HH12 ARG 10 2HH1 ARG 10 10.151 27.527 5.377 93 HH21 ARG 10 1HH2 ARG 10 9.069 27.411 8.699 94 HH22 ARG 10 2HH2 ARG 10 9.563 28.436 7.395 95 H LEU 11 HN LEU 11 9.736 18.770 8.169 96 HA LEU 11 HA LEU 11 10.288 17.150 5.819 97 HB2 LEU 11 HB1 LEU 11 11.893 15.981 7.339 98 HB3 LEU 11 HB2 LEU 11 12.197 17.721 7.115 99 HG LEU 11 HG LEU 11 10.566 17.013 9.472 100 HD11 LEU 11 1HD1 LEU 11 12.504 16.315 10.798 101 HD12 LEU 11 2HD1 LEU 11 13.501 16.298 9.325 102 HD13 LEU 11 3HD1 LEU 11 12.149 15.154 9.497 103 HD21 LEU 11 3HD2 LEU 11 12.976 18.786 9.019 104 HD22 LEU 11 1HD2 LEU 11 11.999 18.713 10.505 105 HD23 LEU 11 2HD2 LEU 11 11.272 19.301 8.991 106 H GLN 12 HN GLN 12 8.438 17.018 8.745 107 HA GLN 12 HA GLN 12 8.118 14.338 9.215 108 HB2 GLN 12 HB1 GLN 12 6.436 16.743 9.587 109 HB3 GLN 12 HB2 GLN 12 5.569 15.188 9.603 110 HG2 GLN 12 HG1 GLN 12 7.920 15.934 11.360 111 HG3 GLN 12 HG2 GLN 12 6.210 15.906 11.854 112 HE21 GLN 12 1HE2 GLN 12 9.045 14.053 11.249 113 HE22 GLN 12 2HE2 GLN 12 8.413 12.518 11.732 114 H GLY 13 HN GLY 13 6.675 16.272 6.654 115 HA2 GLY 13 HA1 GLY 13 4.696 14.629 5.703 116 HA3 GLY 13 HA2 GLY 13 5.712 15.619 4.667 117 H GLY 14 HN GLY 14 8.141 14.459 4.794 118 HA2 GLY 14 HA1 GLY 14 8.058 12.403 2.981 119 HA3 GLY 14 HA2 GLY 14 9.398 12.665 4.088 120 H VAL 15 HN VAL 15 7.874 12.162 6.487 121 HA VAL 15 HA VAL 15 8.353 9.498 6.917 122 HB VAL 15 HB VAL 15 6.155 11.118 8.211 123 HG11 VAL 15 1HG1 VAL 15 6.425 9.576 10.106 124 HG12 VAL 15 2HG1 VAL 15 7.603 8.637 9.158 125 HG13 VAL 15 3HG1 VAL 15 5.906 8.728 8.630 126 HG21 VAL 15 3HG2 VAL 15 9.053 10.752 8.998 127 HG22 VAL 15 1HG2 VAL 15 7.820 11.609 9.952 128 HG23 VAL 15 2HG2 VAL 15 8.315 12.242 8.364 129 H LEU 16 HN LEU 16 5.491 10.979 5.525 130 HA LEU 16 HA LEU 16 3.637 8.966 5.666 131 HB2 LEU 16 HB1 LEU 16 3.146 11.133 4.701 132 HB3 LEU 16 HB2 LEU 16 4.230 10.793 3.330 133 HG LEU 16 HG LEU 16 2.707 9.043 2.558 134 HD11 LEU 16 1HD1 LEU 16 0.509 8.745 3.594 135 HD12 LEU 16 2HD1 LEU 16 0.971 9.872 4.891 136 HD13 LEU 16 3HD1 LEU 16 1.824 8.321 4.715 137 HD21 LEU 16 3HD2 LEU 16 1.319 11.675 3.107 138 HD22 LEU 16 1HD2 LEU 16 0.844 10.481 1.876 139 HD23 LEU 16 2HD2 LEU 16 2.405 11.325 1.740 140 H VAL 17 HN VAL 17 5.980 9.404 3.009 141 HA VAL 17 HA VAL 17 5.431 7.168 1.522 142 HB VAL 17 HB VAL 17 8.201 8.235 2.085 143 HG11 VAL 17 1HG1 VAL 17 8.754 7.330 -0.134 144 HG12 VAL 17 2HG1 VAL 17 7.113 6.651 -0.253 145 HG13 VAL 17 3HG1 VAL 17 8.234 6.055 0.994 146 HG21 VAL 17 3HG2 VAL 17 6.189 9.045 -0.026 147 HG22 VAL 17 1HG2 VAL 17 7.867 9.626 0.084 148 HG23 VAL 17 2HG2 VAL 17 6.703 10.022 1.370 149 H ASN 18 HN ASN 18 7.782 7.362 4.195 150 HA ASN 18 HA ASN 18 8.685 4.775 4.235 151 HB2 ASN 18 HB1 ASN 18 8.801 6.992 5.956 152 HB3 ASN 18 HB2 ASN 18 8.171 5.655 6.947 153 HD21 ASN 18 1HD2 ASN 18 10.838 7.139 6.673 154 HD22 ASN 18 2HD2 ASN 18 12.004 5.866 6.618 155 H GLU 19 HN GLU 19 5.922 5.994 6.138 156 HA GLU 19 HA GLU 19 5.063 3.646 7.259 157 HB2 GLU 19 HB1 GLU 19 3.400 5.934 6.184 158 HB3 GLU 19 HB2 GLU 19 2.764 4.636 7.223 159 HG2 GLU 19 HG1 GLU 19 5.135 6.221 8.134 160 HG3 GLU 19 HG2 GLU 19 3.510 6.940 8.235 161 H ILE 20 HN ILE 20 4.069 4.947 4.098 162 HA ILE 20 HA ILE 20 2.305 3.013 3.289 163 HB ILE 20 HB ILE 20 4.379 4.385 1.571 164 HG12 ILE 20 1HG1 ILE 20 2.903 5.916 2.823 165 HG13 ILE 20 2HG1 ILE 20 2.620 5.987 1.067 166 HG21 ILE 20 1HG2 ILE 20 2.865 3.907 -0.307 167 HG22 ILE 20 2HG2 ILE 20 1.820 2.973 0.790 168 HG23 ILE 20 3HG2 ILE 20 3.476 2.417 0.452 169 HD11 ILE 20 3HD1 ILE 20 0.643 4.562 1.329 170 HD12 ILE 20 1HD1 ILE 20 0.518 6.042 2.311 171 HD13 ILE 20 2HD1 ILE 20 0.926 4.492 3.085 172 H LEU 21 HN LEU 21 5.844 2.930 2.983 173 HA LEU 21 HA LEU 21 6.193 0.612 1.566 174 HB2 LEU 21 HB1 LEU 21 7.849 1.294 3.992 175 HB3 LEU 21 HB2 LEU 21 8.360 0.433 2.520 176 HG LEU 21 HG LEU 21 7.761 3.381 2.814 177 HD11 LEU 21 1HD1 LEU 21 10.097 3.632 2.123 178 HD12 LEU 21 2HD1 LEU 21 10.268 1.862 2.071 179 HD13 LEU 21 3HD1 LEU 21 9.953 2.681 3.619 180 HD21 LEU 21 3HD2 LEU 21 8.406 1.803 0.312 181 HD22 LEU 21 1HD2 LEU 21 8.303 3.576 0.430 182 HD23 LEU 21 2HD2 LEU 21 6.851 2.581 0.691 183 H ASN 22 HN ASN 22 5.826 0.885 5.096 184 HA ASN 22 HA ASN 22 6.052 -1.749 5.823 185 HB2 ASN 22 HB1 ASN 22 4.881 0.648 6.954 186 HB3 ASN 22 HB2 ASN 22 3.913 -0.788 7.368 187 HD21 ASN 22 1HD2 ASN 22 7.119 0.646 7.520 188 HD22 ASN 22 2HD2 ASN 22 7.684 -0.297 8.854 189 H HIS 23 HN HIS 23 2.968 -0.119 5.070 190 HA HIS 23 HA HIS 23 1.292 -2.296 5.163 191 HB2 HIS 23 HB1 HIS 23 1.122 -0.048 3.144 192 HB3 HIS 23 HB2 HIS 23 -0.216 -1.082 3.701 193 HD1 HIS 23 HD1 HIS 23 1.934 1.806 4.769 194 HD2 HIS 23 HD2 HIS 23 -1.290 -0.394 6.191 195 HE1 HIS 23 HE1 HIS 23 1.053 3.101 6.736 196 H MET 24 HN MET 24 2.841 -1.029 2.206 197 HA MET 24 HA MET 24 2.048 -2.956 0.425 198 HB2 MET 24 HB1 MET 24 4.797 -1.690 0.521 199 HB3 MET 24 HB2 MET 24 4.007 -2.404 -0.906 200 HG2 MET 24 HG1 MET 24 2.401 -0.324 0.375 201 HG3 MET 24 HG2 MET 24 3.988 0.260 -0.183 202 HE1 MET 24 HE1 MET 24 0.488 0.426 -2.692 203 HE2 MET 24 HE2 MET 24 1.123 1.291 -1.272 204 HE3 MET 24 HE3 MET 24 0.404 -0.327 -1.082 205 H LYS 25 HN LYS 25 5.100 -3.008 2.275 206 HA LYS 25 HA LYS 25 6.066 -5.455 1.511 207 HB2 LYS 25 HB1 LYS 25 6.162 -4.239 4.283 208 HB3 LYS 25 HB2 LYS 25 7.204 -5.560 3.703 209 HG2 LYS 25 HG1 LYS 25 8.478 -4.175 2.403 210 HG3 LYS 25 HG2 LYS 25 7.151 -3.018 2.139 211 HD2 LYS 25 HD1 LYS 25 8.357 -1.761 3.595 212 HD3 LYS 25 HD2 LYS 25 7.473 -2.730 4.799 213 HE2 LYS 25 HE1 LYS 25 9.684 -2.892 5.519 214 HE3 LYS 25 HE2 LYS 25 9.459 -4.388 4.581 215 HZ1 LYS 25 HZ1 LYS 25 11.294 -2.270 4.154 216 HZ2 LYS 25 HZ2 LYS 25 10.318 -2.462 2.787 217 HZ3 LYS 25 HZ3 LYS 25 11.203 -3.774 3.386 218 H ARG 26 HN ARG 26 3.730 -4.794 4.100 219 HA ARG 26 HA ARG 26 3.436 -7.286 5.199 220 HB2 ARG 26 HB1 ARG 26 2.222 -5.004 5.669 221 HB3 ARG 26 HB2 ARG 26 0.974 -5.683 4.597 222 HG2 ARG 26 HG1 ARG 26 1.984 -7.362 6.855 223 HG3 ARG 26 HG2 ARG 26 0.883 -6.011 7.220 224 HD2 ARG 26 HD1 ARG 26 -0.497 -7.051 5.208 225 HD3 ARG 26 HD2 ARG 26 0.392 -8.524 5.667 226 HE ARG 26 HE ARG 26 -0.981 -8.693 7.476 227 HH11 ARG 26 1HH1 ARG 26 -0.987 -5.378 6.413 228 HH12 ARG 26 2HH1 ARG 26 -2.188 -4.876 7.556 229 HH21 ARG 26 1HH2 ARG 26 -2.561 -8.045 8.987 230 HH22 ARG 26 2HH2 ARG 26 -3.081 -6.394 9.020 231 H ALA 27 HN ALA 27 2.085 -6.086 2.173 232 HA ALA 27 HA ALA 27 0.333 -8.187 1.608 233 HB1 ALA 27 HB1 ALA 27 0.515 -7.487 -0.743 234 HB2 ALA 27 HB2 ALA 27 1.912 -6.470 -0.318 235 HB3 ALA 27 HB3 ALA 27 0.306 -6.101 0.354 236 H THR 28 HN THR 28 3.740 -7.766 0.672 237 HA THR 28 HA THR 28 3.970 -10.214 -0.712 238 HB THR 28 HB THR 28 6.372 -9.108 0.652 239 HG1 THR 28 HG1 THR 28 5.511 -7.174 0.086 240 HG21 THR 28 3HG2 THR 28 6.571 -10.948 -0.954 241 HG22 THR 28 1HG2 THR 28 7.372 -9.480 -1.563 242 HG23 THR 28 2HG2 THR 28 5.777 -9.951 -2.197 243 H GLN 29 HN GLN 29 3.970 -9.441 2.644 244 HA GLN 29 HA GLN 29 5.363 -11.806 3.502 245 HB2 GLN 29 HB1 GLN 29 4.028 -9.493 4.795 246 HB3 GLN 29 HB2 GLN 29 4.084 -11.004 5.735 247 HG2 GLN 29 HG1 GLN 29 5.970 -9.384 6.143 248 HG3 GLN 29 HG2 GLN 29 6.452 -11.043 5.711 249 HE21 GLN 29 1HE2 GLN 29 6.537 -7.727 4.838 250 HE22 GLN 29 2HE2 GLN 29 7.500 -7.892 3.413 251 H ILE 30 HN ILE 30 2.260 -11.176 2.370 252 HA ILE 30 HA ILE 30 1.280 -13.694 3.542 253 HB ILE 30 HB ILE 30 -0.357 -11.215 2.993 254 HG12 ILE 30 1HG1 ILE 30 0.189 -12.620 5.618 255 HG13 ILE 30 2HG1 ILE 30 1.100 -11.202 5.044 256 HG21 ILE 30 1HG2 ILE 30 -2.239 -12.485 3.940 257 HG22 ILE 30 2HG2 ILE 30 -1.198 -13.925 4.044 258 HG23 ILE 30 3HG2 ILE 30 -1.606 -13.236 2.455 259 HD11 ILE 30 3HD1 ILE 30 -0.966 -9.880 5.035 260 HD12 ILE 30 1HD1 ILE 30 -0.632 -10.560 6.645 261 HD13 ILE 30 2HD1 ILE 30 -1.876 -11.298 5.608 262 HA PRO 31 HA PRO 31 1.213 -13.794 -1.131 263 HB2 PRO 31 HB1 PRO 31 2.567 -16.163 -1.355 264 HB3 PRO 31 HB2 PRO 31 3.390 -14.587 -1.271 265 HG2 PRO 31 HG1 PRO 31 2.912 -16.611 0.901 266 HG3 PRO 31 HG2 PRO 31 4.379 -15.670 0.537 267 HD2 PRO 31 HD1 PRO 31 2.659 -14.980 2.530 268 HD3 PRO 31 HD2 PRO 31 3.577 -13.769 1.603 269 H SER 32 HN SER 32 0.230 -15.784 1.484 270 HA SER 32 HA SER 32 -0.908 -17.987 0.303 271 HB2 SER 32 HB1 SER 32 -0.946 -17.882 2.668 272 HB3 SER 32 HB2 SER 32 -1.799 -16.319 2.659 273 HG SER 32 HG SER 32 -3.262 -17.968 3.132 274 H TYR 33 HN TYR 33 -2.262 -14.731 0.580 275 HA TYR 33 HA TYR 33 -4.822 -15.127 -0.320 276 HB2 TYR 33 HB1 TYR 33 -4.915 -12.850 -0.841 277 HB3 TYR 33 HB2 TYR 33 -3.656 -12.958 0.413 278 HD1 TYR 33 HD1 TYR 33 -1.246 -13.653 -0.876 279 HD2 TYR 33 HD2 TYR 33 -4.394 -11.234 -2.409 280 HE1 TYR 33 HE1 TYR 33 0.351 -12.536 -2.376 281 HE2 TYR 33 HE2 TYR 33 -2.806 -10.110 -3.913 282 HH TYR 33 HH TYR 33 0.194 -9.911 -3.602 283 H LYS 34 HN LYS 34 -1.863 -15.328 -2.115 284 HA LYS 34 HA LYS 34 -2.626 -14.916 -4.714 285 HB2 LYS 34 HB1 LYS 34 -0.743 -16.948 -3.514 286 HB3 LYS 34 HB2 LYS 34 -0.955 -16.779 -5.274 287 HG2 LYS 34 HG1 LYS 34 -0.181 -14.492 -5.194 288 HG3 LYS 34 HG2 LYS 34 -0.097 -14.545 -3.417 289 HD2 LYS 34 HD1 LYS 34 2.118 -14.898 -4.046 290 HD3 LYS 34 HD2 LYS 34 1.513 -16.553 -3.793 291 HE2 LYS 34 HE1 LYS 34 1.219 -15.410 -6.527 292 HE3 LYS 34 HE2 LYS 34 2.870 -15.806 -5.990 293 HZ1 LYS 34 HZ1 LYS 34 1.240 -17.948 -5.281 294 HZ2 LYS 34 HZ2 LYS 34 2.437 -17.909 -6.475 295 HZ3 LYS 34 HZ3 LYS 34 0.832 -17.549 -6.874 296 H LYS 35 HN LYS 35 -3.385 -17.634 -2.645 297 HA LYS 35 HA LYS 35 -4.771 -18.968 -4.862 298 HB2 LYS 35 HB1 LYS 35 -4.778 -20.961 -3.526 299 HB3 LYS 35 HB2 LYS 35 -3.134 -20.280 -3.505 300 HG2 LYS 35 HG1 LYS 35 -4.471 -19.143 -1.305 301 HG3 LYS 35 HG2 LYS 35 -4.908 -20.869 -1.310 302 HD2 LYS 35 HD1 LYS 35 -2.058 -19.884 -1.585 303 HD3 LYS 35 HD2 LYS 35 -2.814 -20.250 -0.015 304 HE2 LYS 35 HE1 LYS 35 -3.022 -22.322 -2.149 305 HE3 LYS 35 HE2 LYS 35 -1.420 -22.063 -1.416 306 HZ1 LYS 35 HZ1 LYS 35 -2.095 -23.327 0.255 307 HZ2 LYS 35 HZ2 LYS 35 -3.670 -23.418 -0.353 308 HZ3 LYS 35 HZ3 LYS 35 -3.233 -22.147 0.675 309 H LEU 36 HN LEU 36 -5.285 -17.212 -1.946 310 HA LEU 36 HA LEU 36 -7.950 -18.128 -1.447 311 HB2 LEU 36 HB1 LEU 36 -6.754 -15.515 -0.536 312 HB3 LEU 36 HB2 LEU 36 -8.064 -16.448 0.226 313 HG LEU 36 HG LEU 36 -5.185 -17.364 0.073 314 HD11 LEU 36 1HD1 LEU 36 -5.049 -16.762 2.444 315 HD12 LEU 36 2HD1 LEU 36 -6.682 -16.059 2.356 316 HD13 LEU 36 3HD1 LEU 36 -5.351 -15.337 1.420 317 HD21 LEU 36 3HD2 LEU 36 -7.558 -18.368 1.662 318 HD22 LEU 36 1HD2 LEU 36 -5.891 -18.980 1.776 319 HD23 LEU 36 2HD2 LEU 36 -6.809 -19.178 0.265 320 H ILE 37 HN ILE 37 -6.797 -14.891 -2.416 321 HA ILE 37 HA ILE 37 -9.293 -13.958 -3.270 322 HB ILE 37 HB ILE 37 -8.092 -12.171 -4.409 323 HG12 ILE 37 1HG1 ILE 37 -5.394 -12.793 -3.725 324 HG13 ILE 37 2HG1 ILE 37 -6.067 -14.169 -4.633 325 HG21 ILE 37 1HG2 ILE 37 -6.812 -11.298 -2.498 326 HG22 ILE 37 2HG2 ILE 37 -6.837 -12.918 -1.760 327 HG23 ILE 37 3HG2 ILE 37 -8.357 -12.022 -1.992 328 HD11 ILE 37 3HD1 ILE 37 -6.714 -12.653 -6.449 329 HD12 ILE 37 1HD1 ILE 37 -4.966 -12.573 -6.122 330 HD13 ILE 37 2HD1 ILE 37 -6.041 -11.278 -5.542 331 H MET 38 HN MET 38 -7.076 -16.098 -4.769 332 HA MET 38 HA MET 38 -8.330 -15.730 -7.395 333 HB2 MET 38 HB1 MET 38 -5.898 -17.360 -6.617 334 HB3 MET 38 HB2 MET 38 -6.506 -17.115 -8.272 335 HG2 MET 38 HG1 MET 38 -5.701 -14.800 -6.516 336 HG3 MET 38 HG2 MET 38 -4.512 -15.700 -7.489 337 HE1 MET 38 HE1 MET 38 -4.974 -14.542 -11.009 338 HE2 MET 38 HE2 MET 38 -4.995 -16.125 -10.196 339 HE3 MET 38 HE3 MET 38 -3.812 -14.888 -9.706 340 H TYR 39 HN TYR 39 -8.128 -18.143 -8.545 341 HA TYR 39 HA TYR 39 -10.369 -19.525 -7.684 342 HB2 TYR 39 HB1 TYR 39 -8.054 -20.753 -9.195 343 HB3 TYR 39 HB2 TYR 39 -9.759 -21.263 -9.225 344 HD1 TYR 39 HD1 TYR 39 -11.457 -19.767 -10.313 345 HD2 TYR 39 HD2 TYR 39 -7.277 -19.029 -10.631 346 HE1 TYR 39 HE1 TYR 39 -11.870 -18.292 -12.236 347 HE2 TYR 39 HE2 TYR 39 -7.680 -17.551 -12.556 348 HH TYR 39 HH TYR 39 -9.397 -16.282 -13.577 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -7.950 17.693 8.078 2 H2 GLY 1 HT2 GLY 1 -9.332 17.720 9.147 3 H3 GLY 1 HT3 GLY 1 -7.865 16.905 9.635 4 HA2 GLY 1 HA1 GLY 1 -6.699 18.991 9.633 5 HA3 GLY 1 HA2 GLY 1 -8.176 19.809 9.142 6 H ILE 2 HN ILE 2 -6.730 17.863 11.716 7 HA ILE 2 HA ILE 2 -8.625 19.110 13.600 8 HB ILE 2 HB ILE 2 -8.330 17.173 15.063 9 HG12 ILE 2 1HG1 ILE 2 -7.294 15.143 13.571 10 HG13 ILE 2 2HG1 ILE 2 -6.287 16.510 13.036 11 HG21 ILE 2 1HG2 ILE 2 -9.566 15.527 13.718 12 HG22 ILE 2 2HG2 ILE 2 -9.146 16.434 12.246 13 HG23 ILE 2 3HG2 ILE 2 -10.185 17.179 13.484 14 HD11 ILE 2 3HD1 ILE 2 -5.671 16.968 15.366 15 HD12 ILE 2 1HD1 ILE 2 -5.243 15.307 14.892 16 HD13 ILE 2 2HD1 ILE 2 -6.678 15.602 15.901 17 H HIS 3 HN HIS 3 -5.305 18.354 12.876 18 HA HIS 3 HA HIS 3 -4.462 19.760 15.323 19 HB2 HIS 3 HB1 HIS 3 -2.224 18.631 14.871 20 HB3 HIS 3 HB2 HIS 3 -3.558 17.585 15.416 21 HD1 HIS 3 HD1 HIS 3 -2.090 18.679 12.058 22 HD2 HIS 3 HD2 HIS 3 -3.767 15.356 13.904 23 HE1 HIS 3 HE1 HIS 3 -1.989 16.839 10.347 24 H LYS 4 HN LYS 4 -2.655 21.208 15.161 25 HA LYS 4 HA LYS 4 -2.374 22.379 12.470 26 HB2 LYS 4 HB1 LYS 4 -2.303 23.710 15.188 27 HB3 LYS 4 HB2 LYS 4 -1.890 24.527 13.662 28 HG2 LYS 4 HG1 LYS 4 -4.549 23.168 13.978 29 HG3 LYS 4 HG2 LYS 4 -4.277 24.785 14.671 30 HD2 LYS 4 HD1 LYS 4 -3.525 24.239 11.813 31 HD3 LYS 4 HD2 LYS 4 -5.228 24.533 12.240 32 HE2 LYS 4 HE1 LYS 4 -4.553 26.682 11.798 33 HE3 LYS 4 HE2 LYS 4 -4.191 26.596 13.539 34 HZ1 LYS 4 HZ1 LYS 4 -2.436 27.386 11.701 35 HZ2 LYS 4 HZ2 LYS 4 -2.061 25.738 11.753 36 HZ3 LYS 4 HZ3 LYS 4 -1.987 26.667 13.165 37 H GLN 5 HN GLN 5 -0.746 21.181 15.284 38 HA GLN 5 HA GLN 5 1.797 22.280 14.925 39 HB2 GLN 5 HB1 GLN 5 1.048 21.024 16.937 40 HB3 GLN 5 HB2 GLN 5 1.128 19.522 15.984 41 HG2 GLN 5 HG1 GLN 5 3.429 19.513 15.933 42 HG3 GLN 5 HG2 GLN 5 3.550 21.273 16.172 43 HE21 GLN 5 1HE2 GLN 5 1.782 18.802 18.002 44 HE22 GLN 5 2HE2 GLN 5 2.571 19.103 19.508 45 H LYS 6 HN LYS 6 0.701 19.026 13.946 46 HA LYS 6 HA LYS 6 2.898 18.228 12.517 47 HB2 LYS 6 HB1 LYS 6 0.024 17.716 11.711 48 HB3 LYS 6 HB2 LYS 6 1.443 16.728 11.285 49 HG2 LYS 6 HG1 LYS 6 0.273 17.127 14.050 50 HG3 LYS 6 HG2 LYS 6 0.184 15.655 13.052 51 HD2 LYS 6 HD1 LYS 6 2.788 15.795 13.064 52 HD3 LYS 6 HD2 LYS 6 2.551 16.859 14.472 53 HE2 LYS 6 HE1 LYS 6 1.623 15.164 15.765 54 HE3 LYS 6 HE2 LYS 6 1.154 14.199 14.345 55 HZ1 LYS 6 HZ1 LYS 6 3.463 13.666 13.967 56 HZ2 LYS 6 HZ2 LYS 6 3.041 13.246 15.550 57 HZ3 LYS 6 HZ3 LYS 6 3.952 14.641 15.260 58 H GLU 7 HN GLU 7 0.154 20.138 11.319 59 HA GLU 7 HA GLU 7 0.774 20.333 8.658 60 HB2 GLU 7 HB1 GLU 7 -0.477 22.248 10.595 61 HB3 GLU 7 HB2 GLU 7 -0.153 22.770 8.924 62 HG2 GLU 7 HG1 GLU 7 -1.515 20.922 8.080 63 HG3 GLU 7 HG2 GLU 7 -1.833 20.390 9.748 64 H LYS 8 HN LYS 8 2.134 22.217 11.329 65 HA LYS 8 HA LYS 8 3.603 24.100 9.986 66 HB2 LYS 8 HB1 LYS 8 4.519 22.524 12.406 67 HB3 LYS 8 HB2 LYS 8 5.143 24.109 11.888 68 HG2 LYS 8 HG1 LYS 8 2.321 23.512 12.812 69 HG3 LYS 8 HG2 LYS 8 3.588 24.335 13.754 70 HD2 LYS 8 HD1 LYS 8 3.657 25.943 11.668 71 HD3 LYS 8 HD2 LYS 8 2.016 25.310 11.391 72 HE2 LYS 8 HE1 LYS 8 2.757 26.256 14.137 73 HE3 LYS 8 HE2 LYS 8 2.428 27.466 12.872 74 HZ1 LYS 8 HZ1 LYS 8 0.357 25.788 12.575 75 HZ2 LYS 8 HZ2 LYS 8 0.320 27.183 13.529 76 HZ3 LYS 8 HZ3 LYS 8 0.606 25.678 14.245 77 H SER 9 HN SER 9 4.470 20.723 10.587 78 HA SER 9 HA SER 9 7.079 20.776 9.606 79 HB2 SER 9 HB1 SER 9 7.035 18.473 9.718 80 HB3 SER 9 HB2 SER 9 5.657 18.871 10.774 81 HG SER 9 HG SER 9 5.517 17.282 8.803 82 H ARG 10 HN ARG 10 7.957 20.836 7.626 83 HA ARG 10 HA ARG 10 6.118 20.845 5.329 84 HB2 ARG 10 HB1 ARG 10 7.261 22.969 5.663 85 HB3 ARG 10 HB2 ARG 10 8.836 22.140 5.660 86 HG2 ARG 10 HG1 ARG 10 8.797 21.783 3.377 87 HG3 ARG 10 HG2 ARG 10 7.022 21.893 3.283 88 HD2 ARG 10 HD1 ARG 10 7.468 24.374 4.084 89 HD3 ARG 10 HD2 ARG 10 9.078 24.071 3.387 90 HE ARG 10 HE ARG 10 7.029 23.308 1.574 91 HH11 ARG 10 1HH1 ARG 10 8.642 26.093 2.902 92 HH12 ARG 10 2HH1 ARG 10 8.350 27.087 1.513 93 HH21 ARG 10 1HH2 ARG 10 6.639 24.607 -0.261 94 HH22 ARG 10 2HH2 ARG 10 7.210 26.241 -0.285 95 H LEU 11 HN LEU 11 9.143 19.569 6.573 96 HA LEU 11 HA LEU 11 9.387 17.853 4.199 97 HB2 LEU 11 HB1 LEU 11 11.694 17.374 5.214 98 HB3 LEU 11 HB2 LEU 11 11.412 18.962 4.461 99 HG LEU 11 HG LEU 11 10.999 18.725 7.403 100 HD11 LEU 11 1HD1 LEU 11 13.386 19.075 7.831 101 HD12 LEU 11 2HD1 LEU 11 13.727 18.839 6.100 102 HD13 LEU 11 3HD1 LEU 11 13.081 17.495 7.072 103 HD21 LEU 11 3HD2 LEU 11 12.200 20.835 5.597 104 HD22 LEU 11 1HD2 LEU 11 11.916 20.997 7.346 105 HD23 LEU 11 2HD2 LEU 11 10.538 20.819 6.234 106 H GLN 12 HN GLN 12 9.291 17.813 7.728 107 HA GLN 12 HA GLN 12 9.768 15.173 8.280 108 HB2 GLN 12 HB1 GLN 12 9.081 17.219 9.805 109 HB3 GLN 12 HB2 GLN 12 7.462 16.494 9.654 110 HG2 GLN 12 HG1 GLN 12 8.247 15.521 11.589 111 HG3 GLN 12 HG2 GLN 12 8.665 14.298 10.364 112 HE21 GLN 12 1HE2 GLN 12 10.811 13.983 9.818 113 HE22 GLN 12 2HE2 GLN 12 12.116 14.601 10.767 114 H GLY 13 HN GLY 13 6.755 16.622 7.121 115 HA2 GLY 13 HA1 GLY 13 4.994 14.535 7.372 116 HA3 GLY 13 HA2 GLY 13 4.976 15.661 6.021 117 H GLY 14 HN GLY 14 7.540 14.901 4.958 118 HA2 GLY 14 HA1 GLY 14 6.850 13.003 3.103 119 HA3 GLY 14 HA2 GLY 14 8.509 13.329 3.584 120 H VAL 15 HN VAL 15 8.095 12.466 6.340 121 HA VAL 15 HA VAL 15 8.949 9.864 6.229 122 HB VAL 15 HB VAL 15 8.907 11.383 8.258 123 HG11 VAL 15 1HG1 VAL 15 6.974 11.177 9.763 124 HG12 VAL 15 2HG1 VAL 15 6.115 10.246 8.513 125 HG13 VAL 15 3HG1 VAL 15 6.536 11.950 8.221 126 HG21 VAL 15 3HG2 VAL 15 8.015 8.511 8.603 127 HG22 VAL 15 1HG2 VAL 15 8.799 9.511 9.850 128 HG23 VAL 15 2HG2 VAL 15 9.688 9.075 8.371 129 H LEU 16 HN LEU 16 5.666 11.062 6.125 130 HA LEU 16 HA LEU 16 4.173 8.853 6.756 131 HB2 LEU 16 HB1 LEU 16 3.057 10.879 6.268 132 HB3 LEU 16 HB2 LEU 16 3.768 10.957 4.638 133 HG LEU 16 HG LEU 16 2.356 9.149 3.890 134 HD11 LEU 16 1HD1 LEU 16 0.669 8.132 5.346 135 HD12 LEU 16 2HD1 LEU 16 1.311 9.053 6.727 136 HD13 LEU 16 3HD1 LEU 16 2.319 7.819 5.934 137 HD21 LEU 16 3HD2 LEU 16 0.777 11.210 5.446 138 HD22 LEU 16 1HD2 LEU 16 0.155 10.206 4.114 139 HD23 LEU 16 2HD2 LEU 16 1.431 11.407 3.803 140 H VAL 17 HN VAL 17 5.430 9.652 3.515 141 HA VAL 17 HA VAL 17 4.542 7.482 2.098 142 HB VAL 17 HB VAL 17 7.283 8.720 1.820 143 HG11 VAL 17 1HG1 VAL 17 7.112 8.016 -0.528 144 HG12 VAL 17 2HG1 VAL 17 5.558 7.228 -0.168 145 HG13 VAL 17 3HG1 VAL 17 7.055 6.629 0.585 146 HG21 VAL 17 3HG2 VAL 17 4.647 9.516 0.565 147 HG22 VAL 17 1HG2 VAL 17 6.236 10.217 0.174 148 HG23 VAL 17 2HG2 VAL 17 5.544 10.431 1.800 149 H ASN 18 HN ASN 18 7.631 7.686 3.868 150 HA ASN 18 HA ASN 18 8.632 5.182 3.385 151 HB2 ASN 18 HB1 ASN 18 9.193 7.285 5.159 152 HB3 ASN 18 HB2 ASN 18 8.994 5.844 6.185 153 HD21 ASN 18 1HD2 ASN 18 11.308 7.585 5.009 154 HD22 ASN 18 2HD2 ASN 18 12.469 6.395 4.537 155 H GLU 19 HN GLU 19 6.591 6.053 6.182 156 HA GLU 19 HA GLU 19 6.278 3.576 7.313 157 HB2 GLU 19 HB1 GLU 19 4.235 5.792 7.042 158 HB3 GLU 19 HB2 GLU 19 4.045 4.383 8.113 159 HG2 GLU 19 HG1 GLU 19 6.477 6.129 8.327 160 HG3 GLU 19 HG2 GLU 19 4.937 6.636 9.064 161 H ILE 20 HN ILE 20 4.227 4.998 4.773 162 HA ILE 20 HA ILE 20 2.402 2.987 4.417 163 HB ILE 20 HB ILE 20 3.714 4.625 2.245 164 HG12 ILE 20 1HG1 ILE 20 2.659 5.956 4.032 165 HG13 ILE 20 2HG1 ILE 20 1.803 6.112 2.479 166 HG21 ILE 20 1HG2 ILE 20 1.693 4.154 0.930 167 HG22 ILE 20 2HG2 ILE 20 1.119 3.071 2.221 168 HG23 ILE 20 3HG2 ILE 20 2.598 2.671 1.315 169 HD11 ILE 20 3HD1 ILE 20 0.106 4.522 3.255 170 HD12 ILE 20 1HD1 ILE 20 0.236 5.923 4.345 171 HD13 ILE 20 2HD1 ILE 20 0.962 4.366 4.808 172 H LEU 21 HN LEU 21 5.639 3.202 2.971 173 HA LEU 21 HA LEU 21 5.624 1.017 1.320 174 HB2 LEU 21 HB1 LEU 21 7.947 1.670 3.127 175 HB3 LEU 21 HB2 LEU 21 7.990 0.948 1.501 176 HG LEU 21 HG LEU 21 7.367 3.813 2.225 177 HD11 LEU 21 1HD1 LEU 21 9.329 4.291 0.837 178 HD12 LEU 21 2HD1 LEU 21 9.566 2.546 0.580 179 HD13 LEU 21 3HD1 LEU 21 9.738 3.237 2.211 180 HD21 LEU 21 3HD2 LEU 21 7.234 2.452 -0.474 181 HD22 LEU 21 1HD2 LEU 21 7.081 4.200 -0.180 182 HD23 LEU 21 2HD2 LEU 21 5.852 3.081 0.454 183 H ASN 22 HN ASN 22 6.428 1.029 4.790 184 HA ASN 22 HA ASN 22 7.020 -1.621 5.167 185 HB2 ASN 22 HB1 ASN 22 6.159 0.596 6.823 186 HB3 ASN 22 HB2 ASN 22 5.463 -0.936 7.402 187 HD21 ASN 22 1HD2 ASN 22 8.454 0.744 6.638 188 HD22 ASN 22 2HD2 ASN 22 9.478 -0.237 7.624 189 H HIS 23 HN HIS 23 3.778 -0.194 5.604 190 HA HIS 23 HA HIS 23 2.346 -2.497 6.044 191 HB2 HIS 23 HB1 HIS 23 1.402 -0.140 4.393 192 HB3 HIS 23 HB2 HIS 23 0.377 -1.311 5.259 193 HD1 HIS 23 HD1 HIS 23 2.603 1.659 5.825 194 HD2 HIS 23 HD2 HIS 23 0.145 -0.874 8.015 195 HE1 HIS 23 HE1 HIS 23 2.350 2.749 8.077 196 H MET 24 HN MET 24 2.763 -0.921 2.867 197 HA MET 24 HA MET 24 1.530 -2.788 1.278 198 HB2 MET 24 HB1 MET 24 4.085 -1.312 0.592 199 HB3 MET 24 HB2 MET 24 2.915 -2.000 -0.561 200 HG2 MET 24 HG1 MET 24 1.712 -0.131 1.346 201 HG3 MET 24 HG2 MET 24 2.977 0.604 0.333 202 HE1 MET 24 HE1 MET 24 -1.176 -0.826 -0.952 203 HE2 MET 24 HE2 MET 24 -0.659 -0.247 0.649 204 HE3 MET 24 HE3 MET 24 -0.147 -1.852 0.076 205 H LYS 25 HN LYS 25 5.020 -2.717 2.027 206 HA LYS 25 HA LYS 25 5.810 -5.026 0.780 207 HB2 LYS 25 HB1 LYS 25 6.750 -3.977 3.462 208 HB3 LYS 25 HB2 LYS 25 7.609 -5.184 2.474 209 HG2 LYS 25 HG1 LYS 25 6.919 -2.552 1.236 210 HG3 LYS 25 HG2 LYS 25 8.255 -2.621 2.411 211 HD2 LYS 25 HD1 LYS 25 9.515 -4.070 1.085 212 HD3 LYS 25 HD2 LYS 25 8.099 -4.599 0.146 213 HE2 LYS 25 HE1 LYS 25 9.205 -3.198 -1.348 214 HE3 LYS 25 HE2 LYS 25 7.987 -2.117 -0.628 215 HZ1 LYS 25 HZ1 LYS 25 9.610 -1.115 0.726 216 HZ2 LYS 25 HZ2 LYS 25 10.316 -1.218 -0.806 217 HZ3 LYS 25 HZ3 LYS 25 10.764 -2.309 0.405 218 H ARG 26 HN ARG 26 4.544 -4.740 4.094 219 HA ARG 26 HA ARG 26 4.722 -7.343 4.930 220 HB2 ARG 26 HB1 ARG 26 3.857 -5.346 6.224 221 HB3 ARG 26 HB2 ARG 26 2.291 -5.616 5.421 222 HG2 ARG 26 HG1 ARG 26 2.230 -6.614 7.607 223 HG3 ARG 26 HG2 ARG 26 2.248 -7.909 6.386 224 HD2 ARG 26 HD1 ARG 26 4.574 -8.343 6.772 225 HD3 ARG 26 HD2 ARG 26 4.728 -6.901 7.805 226 HE ARG 26 HE ARG 26 2.786 -8.761 8.795 227 HH11 ARG 26 1HH1 ARG 26 6.191 -8.047 8.643 228 HH12 ARG 26 2HH1 ARG 26 6.567 -8.903 10.103 229 HH21 ARG 26 1HH2 ARG 26 3.271 -9.891 10.716 230 HH22 ARG 26 2HH2 ARG 26 4.906 -9.953 11.280 231 H ALA 27 HN ALA 27 2.338 -5.929 2.761 232 HA ALA 27 HA ALA 27 0.481 -7.988 2.650 233 HB1 ALA 27 HB1 ALA 27 -0.113 -7.134 0.419 234 HB2 ALA 27 HB2 ALA 27 1.374 -6.157 0.413 235 HB3 ALA 27 HB3 ALA 27 0.095 -5.824 1.606 236 H THR 28 HN THR 28 3.442 -7.552 0.738 237 HA THR 28 HA THR 28 3.143 -9.832 -0.878 238 HB THR 28 HB THR 28 5.431 -9.575 -1.491 239 HG1 THR 28 HG1 THR 28 5.926 -7.723 0.575 240 HG21 THR 28 3HG2 THR 28 3.961 -7.781 -2.278 241 HG22 THR 28 1HG2 THR 28 5.605 -7.171 -1.974 242 HG23 THR 28 2HG2 THR 28 4.306 -6.848 -0.802 243 H GLN 29 HN GLN 29 4.089 -9.472 2.412 244 HA GLN 29 HA GLN 29 5.527 -11.940 2.623 245 HB2 GLN 29 HB1 GLN 29 4.240 -10.379 4.870 246 HB3 GLN 29 HB2 GLN 29 5.598 -11.525 4.979 247 HG2 GLN 29 HG1 GLN 29 5.611 -8.806 3.650 248 HG3 GLN 29 HG2 GLN 29 6.412 -9.260 5.174 249 HE21 GLN 29 1HE2 GLN 29 7.447 -8.215 2.580 250 HE22 GLN 29 2HE2 GLN 29 8.680 -9.329 2.110 251 H ILE 30 HN ILE 30 2.268 -11.166 2.350 252 HA ILE 30 HA ILE 30 1.504 -13.789 3.454 253 HB ILE 30 HB ILE 30 -0.245 -11.329 3.408 254 HG12 ILE 30 1HG1 ILE 30 1.070 -12.677 5.780 255 HG13 ILE 30 2HG1 ILE 30 1.679 -11.193 5.007 256 HG21 ILE 30 1HG2 ILE 30 -1.752 -12.670 4.814 257 HG22 ILE 30 2HG2 ILE 30 -0.653 -14.059 4.644 258 HG23 ILE 30 3HG2 ILE 30 -1.495 -13.411 3.216 259 HD11 ILE 30 3HD1 ILE 30 -0.409 -10.039 5.580 260 HD12 ILE 30 1HD1 ILE 30 0.400 -10.683 7.028 261 HD13 ILE 30 2HD1 ILE 30 -1.017 -11.522 6.353 262 HA PRO 31 HA PRO 31 0.469 -13.511 -1.092 263 HB2 PRO 31 HB1 PRO 31 1.652 -15.886 -1.764 264 HB3 PRO 31 HB2 PRO 31 2.537 -14.341 -1.736 265 HG2 PRO 31 HG1 PRO 31 2.434 -16.522 0.332 266 HG3 PRO 31 HG2 PRO 31 3.830 -15.586 -0.255 267 HD2 PRO 31 HD1 PRO 31 2.576 -15.022 2.094 268 HD3 PRO 31 HD2 PRO 31 3.335 -13.761 1.092 269 H SER 32 HN SER 32 -0.398 -15.246 1.579 270 HA SER 32 HA SER 32 -1.620 -17.557 0.758 271 HB2 SER 32 HB1 SER 32 -2.602 -17.570 2.806 272 HB3 SER 32 HB2 SER 32 -1.563 -16.153 3.092 273 HG SER 32 HG SER 32 -3.525 -15.383 3.569 274 H TYR 33 HN TYR 33 -2.842 -14.254 0.484 275 HA TYR 33 HA TYR 33 -5.433 -14.677 -0.300 276 HB2 TYR 33 HB1 TYR 33 -5.280 -12.570 -1.565 277 HB3 TYR 33 HB2 TYR 33 -4.514 -12.449 0.038 278 HD1 TYR 33 HD1 TYR 33 -3.741 -12.981 -3.575 279 HD2 TYR 33 HD2 TYR 33 -2.287 -11.737 0.227 280 HE1 TYR 33 HE1 TYR 33 -1.665 -12.197 -4.632 281 HE2 TYR 33 HE2 TYR 33 -0.207 -10.947 -0.821 282 HH TYR 33 HH TYR 33 0.584 -11.668 -4.107 283 H LYS 34 HN LYS 34 -2.525 -15.336 -2.071 284 HA LYS 34 HA LYS 34 -3.363 -15.381 -4.690 285 HB2 LYS 34 HB1 LYS 34 -1.467 -17.185 -3.185 286 HB3 LYS 34 HB2 LYS 34 -1.734 -17.347 -4.938 287 HG2 LYS 34 HG1 LYS 34 -0.916 -14.728 -3.688 288 HG3 LYS 34 HG2 LYS 34 0.276 -15.966 -4.152 289 HD2 LYS 34 HD1 LYS 34 -1.809 -15.065 -6.124 290 HD3 LYS 34 HD2 LYS 34 -0.361 -14.070 -5.839 291 HE2 LYS 34 HE1 LYS 34 -0.100 -17.017 -6.402 292 HE3 LYS 34 HE2 LYS 34 -0.341 -15.863 -7.737 293 HZ1 LYS 34 HZ1 LYS 34 1.616 -14.626 -6.814 294 HZ2 LYS 34 HZ2 LYS 34 1.973 -16.143 -7.471 295 HZ3 LYS 34 HZ3 LYS 34 1.901 -15.944 -5.792 296 H LYS 35 HN LYS 35 -4.148 -17.599 -2.118 297 HA LYS 35 HA LYS 35 -5.318 -19.561 -3.888 298 HB2 LYS 35 HB1 LYS 35 -5.764 -20.848 -1.960 299 HB3 LYS 35 HB2 LYS 35 -4.194 -20.065 -1.659 300 HG2 LYS 35 HG1 LYS 35 -5.765 -18.233 -0.532 301 HG3 LYS 35 HG2 LYS 35 -6.833 -19.645 -0.346 302 HD2 LYS 35 HD1 LYS 35 -4.761 -20.842 0.607 303 HD3 LYS 35 HD2 LYS 35 -4.055 -19.214 0.752 304 HE2 LYS 35 HE1 LYS 35 -5.640 -18.526 2.323 305 HE3 LYS 35 HE2 LYS 35 -6.790 -19.806 1.866 306 HZ1 LYS 35 HZ1 LYS 35 -4.808 -21.308 2.717 307 HZ2 LYS 35 HZ2 LYS 35 -5.974 -20.686 3.773 308 HZ3 LYS 35 HZ3 LYS 35 -4.466 -19.932 3.640 309 H LEU 36 HN LEU 36 -6.389 -16.903 -1.871 310 HA LEU 36 HA LEU 36 -9.179 -17.533 -2.083 311 HB2 LEU 36 HB1 LEU 36 -9.505 -15.860 -0.613 312 HB3 LEU 36 HB2 LEU 36 -7.745 -16.004 -0.387 313 HG LEU 36 HG LEU 36 -7.700 -14.194 -2.313 314 HD11 LEU 36 1HD1 LEU 36 -9.564 -12.617 -2.120 315 HD12 LEU 36 2HD1 LEU 36 -10.399 -13.744 -1.025 316 HD13 LEU 36 3HD1 LEU 36 -10.105 -14.203 -2.719 317 HD21 LEU 36 3HD2 LEU 36 -8.398 -13.574 0.567 318 HD22 LEU 36 1HD2 LEU 36 -7.636 -12.453 -0.586 319 HD23 LEU 36 2HD2 LEU 36 -6.771 -13.919 -0.068 320 H ILE 37 HN ILE 37 -6.877 -15.868 -4.024 321 HA ILE 37 HA ILE 37 -8.963 -14.533 -5.582 322 HB ILE 37 HB ILE 37 -7.113 -13.452 -6.793 323 HG12 ILE 37 1HG1 ILE 37 -5.010 -14.182 -4.925 324 HG13 ILE 37 2HG1 ILE 37 -5.621 -15.599 -5.813 325 HG21 ILE 37 1HG2 ILE 37 -6.293 -12.057 -4.942 326 HG22 ILE 37 2HG2 ILE 37 -6.897 -13.263 -3.781 327 HG23 ILE 37 3HG2 ILE 37 -8.040 -12.373 -4.815 328 HD11 ILE 37 3HD1 ILE 37 -5.187 -14.453 -7.937 329 HD12 ILE 37 1HD1 ILE 37 -3.710 -14.589 -6.954 330 HD13 ILE 37 2HD1 ILE 37 -4.576 -13.037 -7.049 331 H MET 38 HN MET 38 -6.983 -17.326 -5.621 332 HA MET 38 HA MET 38 -7.577 -17.765 -8.472 333 HB2 MET 38 HB1 MET 38 -5.452 -19.045 -6.734 334 HB3 MET 38 HB2 MET 38 -5.743 -19.411 -8.452 335 HG2 MET 38 HG1 MET 38 -5.255 -16.568 -7.728 336 HG3 MET 38 HG2 MET 38 -3.875 -17.687 -7.619 337 HE1 MET 38 HE1 MET 38 -4.184 -15.413 -11.121 338 HE2 MET 38 HE2 MET 38 -3.467 -15.340 -9.494 339 HE3 MET 38 HE3 MET 38 -5.217 -15.097 -9.706 340 H TYR 39 HN TYR 39 -7.372 -20.416 -8.737 341 HA TYR 39 HA TYR 39 -9.825 -21.417 -7.965 342 HB2 TYR 39 HB1 TYR 39 -7.354 -23.098 -8.433 343 HB3 TYR 39 HB2 TYR 39 -9.051 -23.585 -8.659 344 HD1 TYR 39 HD2 TYR 39 -10.373 -22.543 -10.522 345 HD2 TYR 39 HD1 TYR 39 -6.173 -21.976 -10.159 346 HE1 TYR 39 HE2 TYR 39 -10.274 -21.820 -12.871 347 HE2 TYR 39 HE1 TYR 39 -6.061 -21.251 -12.505 348 HH TYR 39 HH TYR 39 -7.208 -21.194 -14.473 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -11.492 24.841 7.018 2 H2 GLY 1 HT2 GLY 1 -9.746 24.889 7.038 3 H3 GLY 1 HT3 GLY 1 -10.663 26.130 7.857 4 HA2 GLY 1 HA1 GLY 1 -11.526 24.498 9.373 5 HA3 GLY 1 HA2 GLY 1 -10.603 23.251 8.549 6 H ILE 2 HN ILE 2 -9.595 22.819 10.595 7 HA ILE 2 HA ILE 2 -7.404 24.702 11.157 8 HB ILE 2 HB ILE 2 -9.153 24.814 12.931 9 HG12 ILE 2 1HG1 ILE 2 -6.508 24.962 13.185 10 HG13 ILE 2 2HG1 ILE 2 -7.604 25.113 14.580 11 HG21 ILE 2 1HG2 ILE 2 -9.390 22.920 14.481 12 HG22 ILE 2 2HG2 ILE 2 -8.345 21.942 13.423 13 HG23 ILE 2 3HG2 ILE 2 -9.927 22.507 12.835 14 HD11 ILE 2 3HD1 ILE 2 -7.257 22.743 15.108 15 HD12 ILE 2 1HD1 ILE 2 -5.719 23.638 15.084 16 HD13 ILE 2 2HD1 ILE 2 -6.161 22.592 13.713 17 H HIS 3 HN HIS 3 -5.422 23.807 11.639 18 HA HIS 3 HA HIS 3 -5.226 20.889 11.278 19 HB2 HIS 3 HB1 HIS 3 -2.969 21.271 10.385 20 HB3 HIS 3 HB2 HIS 3 -4.214 22.116 9.435 21 HD1 HIS 3 HD1 HIS 3 -1.765 22.927 12.251 22 HD2 HIS 3 HD2 HIS 3 -3.621 24.728 8.998 23 HE1 HIS 3 HE1 HIS 3 -0.798 25.245 12.121 24 H LYS 4 HN LYS 4 -3.855 19.709 12.602 25 HA LYS 4 HA LYS 4 -3.451 20.799 15.225 26 HB2 LYS 4 HB1 LYS 4 -2.500 18.545 15.735 27 HB3 LYS 4 HB2 LYS 4 -4.145 18.509 15.054 28 HG2 LYS 4 HG1 LYS 4 -2.475 18.343 12.830 29 HG3 LYS 4 HG2 LYS 4 -1.682 17.326 14.056 30 HD2 LYS 4 HD1 LYS 4 -3.175 15.903 12.875 31 HD3 LYS 4 HD2 LYS 4 -3.945 16.243 14.443 32 HE2 LYS 4 HE1 LYS 4 -5.481 17.760 13.483 33 HE3 LYS 4 HE2 LYS 4 -4.547 17.873 11.971 34 HZ1 LYS 4 HZ1 LYS 4 -6.151 15.567 12.938 35 HZ2 LYS 4 HZ2 LYS 4 -5.080 15.467 11.633 36 HZ3 LYS 4 HZ3 LYS 4 -6.415 16.503 11.555 37 H GLN 5 HN GLN 5 -1.998 22.513 14.112 38 HA GLN 5 HA GLN 5 0.065 23.463 13.986 39 HB2 GLN 5 HB1 GLN 5 1.155 20.993 15.338 40 HB3 GLN 5 HB2 GLN 5 1.811 22.648 15.375 41 HG2 GLN 5 HG1 GLN 5 -0.827 21.803 16.596 42 HG3 GLN 5 HG2 GLN 5 0.707 21.956 17.487 43 HE21 GLN 5 1HE2 GLN 5 -1.603 23.379 18.136 44 HE22 GLN 5 2HE2 GLN 5 -1.315 25.060 17.855 45 H LYS 6 HN LYS 6 -0.925 21.233 12.093 46 HA LYS 6 HA LYS 6 1.117 19.751 11.020 47 HB2 LYS 6 HB1 LYS 6 -1.131 21.197 9.600 48 HB3 LYS 6 HB2 LYS 6 -0.078 19.992 8.820 49 HG2 LYS 6 HG1 LYS 6 -1.826 19.464 11.236 50 HG3 LYS 6 HG2 LYS 6 -2.261 19.075 9.554 51 HD2 LYS 6 HD1 LYS 6 0.159 18.002 11.036 52 HD3 LYS 6 HD2 LYS 6 -1.367 17.122 10.779 53 HE2 LYS 6 HE1 LYS 6 -1.020 17.412 8.305 54 HE3 LYS 6 HE2 LYS 6 0.592 18.075 8.669 55 HZ1 LYS 6 HZ1 LYS 6 1.183 15.992 9.717 56 HZ2 LYS 6 HZ2 LYS 6 0.663 15.708 8.131 57 HZ3 LYS 6 HZ3 LYS 6 -0.360 15.359 9.433 58 H GLU 7 HN GLU 7 0.529 23.188 10.681 59 HA GLU 7 HA GLU 7 2.076 23.868 8.525 60 HB2 GLU 7 HB1 GLU 7 1.355 25.214 11.074 61 HB3 GLU 7 HB2 GLU 7 2.696 25.922 10.141 62 HG2 GLU 7 HG1 GLU 7 0.065 25.274 8.835 63 HG3 GLU 7 HG2 GLU 7 0.295 26.786 9.747 64 H LYS 8 HN LYS 8 3.211 23.553 11.887 65 HA LYS 8 HA LYS 8 5.872 24.122 11.562 66 HB2 LYS 8 HB1 LYS 8 4.711 21.928 13.297 67 HB3 LYS 8 HB2 LYS 8 6.312 22.679 13.497 68 HG2 LYS 8 HG1 LYS 8 3.620 24.034 13.808 69 HG3 LYS 8 HG2 LYS 8 4.756 23.598 15.109 70 HD2 LYS 8 HD1 LYS 8 6.448 25.077 13.806 71 HD3 LYS 8 HD2 LYS 8 5.004 25.737 13.000 72 HE2 LYS 8 HE1 LYS 8 4.128 26.589 15.009 73 HE3 LYS 8 HE2 LYS 8 5.197 25.574 16.008 74 HZ1 LYS 8 HZ1 LYS 8 7.078 26.887 15.275 75 HZ2 LYS 8 HZ2 LYS 8 5.907 27.895 15.964 76 HZ3 LYS 8 HZ3 LYS 8 6.087 27.833 14.284 77 H SER 9 HN SER 9 4.204 21.105 10.825 78 HA SER 9 HA SER 9 6.515 19.574 10.265 79 HB2 SER 9 HB1 SER 9 4.193 18.674 10.719 80 HB3 SER 9 HB2 SER 9 3.761 19.173 9.066 81 HG SER 9 HG SER 9 4.632 17.374 8.428 82 H ARG 10 HN ARG 10 7.942 20.018 8.731 83 HA ARG 10 HA ARG 10 6.983 21.169 6.197 84 HB2 ARG 10 HB1 ARG 10 9.731 21.275 7.466 85 HB3 ARG 10 HB2 ARG 10 9.314 21.953 5.873 86 HG2 ARG 10 HG1 ARG 10 7.655 23.432 7.005 87 HG3 ARG 10 HG2 ARG 10 8.247 22.825 8.570 88 HD2 ARG 10 HD1 ARG 10 9.483 24.767 8.316 89 HD3 ARG 10 HD2 ARG 10 10.590 23.540 7.656 90 HE ARG 10 HE ARG 10 8.984 24.595 5.585 91 HH11 ARG 10 1HH1 ARG 10 11.618 25.466 7.689 92 HH12 ARG 10 2HH1 ARG 10 12.306 26.599 6.574 93 HH21 ARG 10 1HH2 ARG 10 9.880 26.086 4.109 94 HH22 ARG 10 2HH2 ARG 10 11.316 26.951 4.538 95 H LEU 11 HN LEU 11 9.905 19.356 7.114 96 HA LEU 11 HA LEU 11 9.736 17.836 4.650 97 HB2 LEU 11 HB1 LEU 11 11.917 17.008 5.188 98 HB3 LEU 11 HB2 LEU 11 11.881 18.763 5.482 99 HG LEU 11 HG LEU 11 11.365 16.984 7.808 100 HD11 LEU 11 1HD1 LEU 11 13.760 16.649 8.196 101 HD12 LEU 11 2HD1 LEU 11 14.114 17.364 6.605 102 HD13 LEU 11 3HD1 LEU 11 13.215 15.831 6.712 103 HD21 LEU 11 3HD2 LEU 11 12.970 19.516 7.390 104 HD22 LEU 11 1HD2 LEU 11 12.660 18.724 8.953 105 HD23 LEU 11 2HD2 LEU 11 11.310 19.417 8.024 106 H GLN 12 HN GLN 12 9.052 17.421 8.018 107 HA GLN 12 HA GLN 12 9.228 14.711 8.405 108 HB2 GLN 12 HB1 GLN 12 7.275 16.766 9.405 109 HB3 GLN 12 HB2 GLN 12 7.097 15.052 9.855 110 HG2 GLN 12 HG1 GLN 12 9.447 16.870 10.422 111 HG3 GLN 12 HG2 GLN 12 8.288 16.200 11.595 112 HE21 GLN 12 1HE2 GLN 12 8.134 13.593 10.741 113 HE22 GLN 12 2HE2 GLN 12 9.659 12.816 10.976 114 H GLY 13 HN GLY 13 6.895 16.477 6.498 115 HA2 GLY 13 HA1 GLY 13 4.812 14.717 6.231 116 HA3 GLY 13 HA2 GLY 13 5.399 15.724 4.916 117 H GLY 14 HN GLY 14 7.775 14.698 4.242 118 HA2 GLY 14 HA1 GLY 14 7.226 12.564 2.606 119 HA3 GLY 14 HA2 GLY 14 8.840 12.956 3.182 120 H VAL 15 HN VAL 15 8.285 12.470 5.965 121 HA VAL 15 HA VAL 15 9.060 9.859 6.258 122 HB VAL 15 HB VAL 15 7.322 11.366 8.217 123 HG11 VAL 15 1HG1 VAL 15 8.428 9.969 9.912 124 HG12 VAL 15 2HG1 VAL 15 9.286 9.100 8.618 125 HG13 VAL 15 3HG1 VAL 15 7.514 8.992 8.739 126 HG21 VAL 15 3HG2 VAL 15 10.332 11.336 7.907 127 HG22 VAL 15 1HG2 VAL 15 9.434 12.121 9.227 128 HG23 VAL 15 2HG2 VAL 15 9.252 12.706 7.556 129 H LEU 16 HN LEU 16 5.760 11.124 6.129 130 HA LEU 16 HA LEU 16 4.288 8.936 6.865 131 HB2 LEU 16 HB1 LEU 16 3.430 11.197 6.203 132 HB3 LEU 16 HB2 LEU 16 3.633 10.701 4.505 133 HG LEU 16 HG LEU 16 1.963 8.955 4.799 134 HD11 LEU 16 1HD1 LEU 16 0.667 8.777 6.870 135 HD12 LEU 16 2HD1 LEU 16 1.729 9.984 7.634 136 HD13 LEU 16 3HD1 LEU 16 2.387 8.406 7.139 137 HD21 LEU 16 3HD2 LEU 16 1.027 11.648 5.814 138 HD22 LEU 16 1HD2 LEU 16 -0.007 10.378 5.119 139 HD23 LEU 16 2HD2 LEU 16 1.221 11.177 4.109 140 H VAL 17 HN VAL 17 5.423 9.658 3.564 141 HA VAL 17 HA VAL 17 4.464 7.470 2.224 142 HB VAL 17 HB VAL 17 7.213 8.654 1.813 143 HG11 VAL 17 1HG1 VAL 17 6.913 7.938 -0.519 144 HG12 VAL 17 2HG1 VAL 17 5.359 7.192 -0.078 145 HG13 VAL 17 3HG1 VAL 17 6.875 6.562 0.609 146 HG21 VAL 17 3HG2 VAL 17 4.541 9.511 0.676 147 HG22 VAL 17 1HG2 VAL 17 6.127 10.167 0.205 148 HG23 VAL 17 2HG2 VAL 17 5.518 10.412 1.859 149 H ASN 18 HN ASN 18 7.608 7.678 3.893 150 HA ASN 18 HA ASN 18 8.580 5.161 3.419 151 HB2 ASN 18 HB1 ASN 18 9.203 7.285 5.147 152 HB3 ASN 18 HB2 ASN 18 9.025 5.858 6.196 153 HD21 ASN 18 1HD2 ASN 18 11.281 7.590 4.804 154 HD22 ASN 18 2HD2 ASN 18 12.435 6.380 4.367 155 H GLU 19 HN GLU 19 6.621 6.084 6.257 156 HA GLU 19 HA GLU 19 6.327 3.628 7.432 157 HB2 GLU 19 HB1 GLU 19 4.288 5.851 7.183 158 HB3 GLU 19 HB2 GLU 19 4.119 4.458 8.279 159 HG2 GLU 19 HG1 GLU 19 6.120 5.123 9.482 160 HG3 GLU 19 HG2 GLU 19 6.380 6.471 8.348 161 H ILE 20 HN ILE 20 4.215 5.023 4.928 162 HA ILE 20 HA ILE 20 2.372 3.016 4.651 163 HB ILE 20 HB ILE 20 3.627 4.609 2.412 164 HG12 ILE 20 1HG1 ILE 20 2.659 5.986 4.210 165 HG13 ILE 20 2HG1 ILE 20 1.741 6.125 2.691 166 HG21 ILE 20 1HG2 ILE 20 1.551 4.143 1.179 167 HG22 ILE 20 2HG2 ILE 20 1.012 3.091 2.510 168 HG23 ILE 20 3HG2 ILE 20 2.451 2.655 1.558 169 HD11 ILE 20 3HD1 ILE 20 0.058 4.571 3.566 170 HD12 ILE 20 1HD1 ILE 20 0.249 5.990 4.622 171 HD13 ILE 20 2HD1 ILE 20 0.975 4.433 5.085 172 H LEU 21 HN LEU 21 5.569 3.199 3.115 173 HA LEU 21 HA LEU 21 5.499 0.993 1.492 174 HB2 LEU 21 HB1 LEU 21 7.874 1.661 3.226 175 HB3 LEU 21 HB2 LEU 21 7.870 0.914 1.610 176 HG LEU 21 HG LEU 21 7.278 3.793 2.309 177 HD11 LEU 21 1HD1 LEU 21 9.202 4.241 0.861 178 HD12 LEU 21 2HD1 LEU 21 9.426 2.492 0.623 179 HD13 LEU 21 3HD1 LEU 21 9.646 3.205 2.238 180 HD21 LEU 21 3HD2 LEU 21 7.062 2.394 -0.366 181 HD22 LEU 21 1HD2 LEU 21 6.928 4.148 -0.091 182 HD23 LEU 21 2HD2 LEU 21 5.710 3.044 0.592 183 H ASN 22 HN ASN 22 6.388 1.045 4.939 184 HA ASN 22 HA ASN 22 6.988 -1.599 5.340 185 HB2 ASN 22 HB1 ASN 22 6.164 0.639 6.984 186 HB3 ASN 22 HB2 ASN 22 5.476 -0.885 7.595 187 HD21 ASN 22 1HD2 ASN 22 8.466 0.751 6.717 188 HD22 ASN 22 2HD2 ASN 22 9.503 -0.212 7.708 189 H HIS 23 HN HIS 23 3.754 -0.166 5.822 190 HA HIS 23 HA HIS 23 2.332 -2.465 6.324 191 HB2 HIS 23 HB1 HIS 23 1.348 -0.133 4.661 192 HB3 HIS 23 HB2 HIS 23 0.347 -1.291 5.570 193 HD1 HIS 23 HD1 HIS 23 2.583 1.691 6.035 194 HD2 HIS 23 HD2 HIS 23 0.180 -0.811 8.322 195 HE1 HIS 23 HE1 HIS 23 2.383 2.816 8.276 196 H MET 24 HN MET 24 2.687 -0.930 3.119 197 HA MET 24 HA MET 24 1.421 -2.815 1.577 198 HB2 MET 24 HB1 MET 24 3.971 -1.375 0.807 199 HB3 MET 24 HB2 MET 24 2.746 -2.042 -0.299 200 HG2 MET 24 HG1 MET 24 1.585 -0.180 1.606 201 HG3 MET 24 HG2 MET 24 2.901 0.565 0.666 202 HE1 MET 24 HE1 MET 24 -1.315 -0.340 -0.700 203 HE2 MET 24 HE2 MET 24 -0.713 0.288 0.852 204 HE3 MET 24 HE3 MET 24 -0.503 -1.432 0.447 205 H LYS 25 HN LYS 25 4.924 -2.742 2.255 206 HA LYS 25 HA LYS 25 5.683 -5.069 1.024 207 HB2 LYS 25 HB1 LYS 25 6.670 -3.915 3.642 208 HB3 LYS 25 HB2 LYS 25 7.491 -5.220 2.752 209 HG2 LYS 25 HG1 LYS 25 7.976 -3.778 0.920 210 HG3 LYS 25 HG2 LYS 25 6.918 -2.499 1.564 211 HD2 LYS 25 HD1 LYS 25 8.400 -2.109 3.415 212 HD3 LYS 25 HD2 LYS 25 9.384 -3.532 2.994 213 HE2 LYS 25 HE1 LYS 25 9.048 -1.030 1.308 214 HE3 LYS 25 HE2 LYS 25 10.473 -1.447 2.291 215 HZ1 LYS 25 HZ1 LYS 25 11.027 -2.114 0.148 216 HZ2 LYS 25 HZ2 LYS 25 9.492 -2.746 -0.182 217 HZ3 LYS 25 HZ3 LYS 25 10.530 -3.558 0.878 218 H ARG 26 HN ARG 26 4.514 -4.739 4.371 219 HA ARG 26 HA ARG 26 4.696 -7.336 5.224 220 HB2 ARG 26 HB1 ARG 26 3.918 -5.372 6.570 221 HB3 ARG 26 HB2 ARG 26 2.336 -5.521 5.767 222 HG2 ARG 26 HG1 ARG 26 2.366 -7.951 6.648 223 HG3 ARG 26 HG2 ARG 26 3.651 -7.378 7.739 224 HD2 ARG 26 HD1 ARG 26 2.061 -5.515 8.419 225 HD3 ARG 26 HD2 ARG 26 0.791 -6.403 7.542 226 HE ARG 26 HE ARG 26 2.154 -8.069 9.419 227 HH11 ARG 26 1HH1 ARG 26 -0.280 -5.596 9.128 228 HH12 ARG 26 2HH1 ARG 26 -1.133 -6.083 10.554 229 HH21 ARG 26 1HH2 ARG 26 1.038 -8.722 11.298 230 HH22 ARG 26 2HH2 ARG 26 -0.381 -7.860 11.789 231 H ALA 27 HN ALA 27 2.269 -5.920 3.106 232 HA ALA 27 HA ALA 27 0.481 -8.106 3.081 233 HB1 ALA 27 HB1 ALA 27 -0.429 -7.093 1.029 234 HB2 ALA 27 HB2 ALA 27 0.967 -5.991 0.972 235 HB3 ALA 27 HB3 ALA 27 -0.190 -5.892 2.320 236 H THR 28 HN THR 28 3.157 -7.213 0.919 237 HA THR 28 HA THR 28 2.860 -9.333 -0.896 238 HB THR 28 HB THR 28 5.053 -8.827 -1.690 239 HG1 THR 28 HG1 THR 28 5.534 -7.257 0.631 240 HG21 THR 28 3HG2 THR 28 3.378 -7.099 -2.140 241 HG22 THR 28 1HG2 THR 28 4.992 -6.381 -1.929 242 HG23 THR 28 2HG2 THR 28 3.798 -6.289 -0.612 243 H GLN 29 HN GLN 29 4.123 -9.242 2.306 244 HA GLN 29 HA GLN 29 5.723 -11.618 2.078 245 HB2 GLN 29 HB1 GLN 29 4.925 -9.750 4.253 246 HB3 GLN 29 HB2 GLN 29 5.395 -11.400 4.727 247 HG2 GLN 29 HG1 GLN 29 7.214 -9.611 4.727 248 HG3 GLN 29 HG2 GLN 29 7.571 -11.145 3.898 249 HE21 GLN 29 1HE2 GLN 29 7.392 -7.774 3.618 250 HE22 GLN 29 2HE2 GLN 29 7.682 -7.652 1.919 251 H ILE 30 HN ILE 30 2.423 -11.020 2.299 252 HA ILE 30 HA ILE 30 1.933 -13.755 3.283 253 HB ILE 30 HB ILE 30 0.044 -11.413 3.520 254 HG12 ILE 30 1HG1 ILE 30 1.647 -12.783 5.693 255 HG13 ILE 30 2HG1 ILE 30 2.092 -11.230 4.945 256 HG21 ILE 30 1HG2 ILE 30 -1.246 -12.911 4.983 257 HG22 ILE 30 2HG2 ILE 30 -0.088 -14.219 4.643 258 HG23 ILE 30 3HG2 ILE 30 -1.094 -13.558 3.332 259 HD11 ILE 30 3HD1 ILE 30 0.000 -10.238 5.761 260 HD12 ILE 30 1HD1 ILE 30 0.976 -10.895 7.097 261 HD13 ILE 30 2HD1 ILE 30 -0.445 -11.791 6.509 262 HA PRO 31 HA PRO 31 0.464 -13.342 -1.132 263 HB2 PRO 31 HB1 PRO 31 1.727 -15.599 -2.027 264 HB3 PRO 31 HB2 PRO 31 2.512 -14.001 -1.997 265 HG2 PRO 31 HG1 PRO 31 2.736 -16.277 -0.047 266 HG3 PRO 31 HG2 PRO 31 4.011 -15.225 -0.708 267 HD2 PRO 31 HD1 PRO 31 2.950 -14.852 1.771 268 HD3 PRO 31 HD2 PRO 31 3.533 -13.499 0.771 269 H SER 32 HN SER 32 -0.034 -15.254 1.515 270 HA SER 32 HA SER 32 -1.187 -17.600 0.684 271 HB2 SER 32 HB1 SER 32 -1.126 -16.098 3.063 272 HB3 SER 32 HB2 SER 32 -2.850 -16.387 2.726 273 HG SER 32 HG SER 32 -1.879 -18.091 3.941 274 H TYR 33 HN TYR 33 -2.618 -14.373 0.695 275 HA TYR 33 HA TYR 33 -5.247 -14.922 0.141 276 HB2 TYR 33 HB1 TYR 33 -5.342 -12.755 -1.021 277 HB3 TYR 33 HB2 TYR 33 -4.433 -12.660 0.507 278 HD1 TYR 33 HD1 TYR 33 -3.973 -12.994 -3.183 279 HD2 TYR 33 HD2 TYR 33 -2.253 -11.798 0.519 280 HE1 TYR 33 HE1 TYR 33 -2.057 -12.032 -4.392 281 HE2 TYR 33 HE2 TYR 33 -0.334 -10.831 -0.678 282 HH TYR 33 HH TYR 33 0.068 -11.247 -4.143 283 H LYS 34 HN LYS 34 -2.492 -15.327 -1.924 284 HA LYS 34 HA LYS 34 -3.555 -15.295 -4.454 285 HB2 LYS 34 HB1 LYS 34 -1.453 -17.051 -3.198 286 HB3 LYS 34 HB2 LYS 34 -1.884 -17.202 -4.919 287 HG2 LYS 34 HG1 LYS 34 -1.069 -14.563 -3.709 288 HG3 LYS 34 HG2 LYS 34 0.129 -15.738 -4.303 289 HD2 LYS 34 HD1 LYS 34 -2.177 -14.774 -6.004 290 HD3 LYS 34 HD2 LYS 34 -0.620 -13.915 -5.931 291 HE2 LYS 34 HE1 LYS 34 0.556 -15.857 -6.745 292 HE3 LYS 34 HE2 LYS 34 -0.923 -16.844 -6.653 293 HZ1 LYS 34 HZ1 LYS 34 -0.610 -14.461 -8.408 294 HZ2 LYS 34 HZ2 LYS 34 -1.901 -15.553 -8.392 295 HZ3 LYS 34 HZ3 LYS 34 -0.375 -16.057 -8.919 296 H LYS 35 HN LYS 35 -3.547 -18.031 -2.181 297 HA LYS 35 HA LYS 35 -4.841 -19.889 -3.809 298 HB2 LYS 35 HB1 LYS 35 -5.147 -21.191 -1.894 299 HB3 LYS 35 HB2 LYS 35 -3.718 -20.202 -1.509 300 HG2 LYS 35 HG1 LYS 35 -5.303 -18.607 -0.336 301 HG3 LYS 35 HG2 LYS 35 -6.551 -19.864 -0.515 302 HD2 LYS 35 HD1 LYS 35 -5.774 -20.511 1.516 303 HD3 LYS 35 HD2 LYS 35 -4.556 -21.351 0.527 304 HE2 LYS 35 HE1 LYS 35 -4.151 -18.521 1.504 305 HE3 LYS 35 HE2 LYS 35 -3.721 -19.933 2.500 306 HZ1 LYS 35 HZ1 LYS 35 -2.491 -18.950 0.024 307 HZ2 LYS 35 HZ2 LYS 35 -2.489 -20.619 0.299 308 HZ3 LYS 35 HZ3 LYS 35 -1.766 -19.578 1.419 309 H LEU 36 HN LEU 36 -6.110 -17.233 -1.931 310 HA LEU 36 HA LEU 36 -8.835 -18.039 -1.996 311 HB2 LEU 36 HB1 LEU 36 -7.797 -15.215 -1.769 312 HB3 LEU 36 HB2 LEU 36 -9.353 -15.856 -1.186 313 HG LEU 36 HG LEU 36 -6.641 -16.595 -0.069 314 HD11 LEU 36 1HD1 LEU 36 -7.288 -15.241 1.866 315 HD12 LEU 36 2HD1 LEU 36 -8.768 -14.739 1.014 316 HD13 LEU 36 3HD1 LEU 36 -7.174 -14.259 0.385 317 HD21 LEU 36 3HD2 LEU 36 -9.447 -17.209 0.884 318 HD22 LEU 36 1HD2 LEU 36 -7.942 -17.616 1.742 319 HD23 LEU 36 2HD2 LEU 36 -8.303 -18.370 0.171 320 H ILE 37 HN ILE 37 -7.338 -15.257 -3.652 321 HA ILE 37 HA ILE 37 -9.397 -14.856 -5.485 322 HB ILE 37 HB ILE 37 -7.720 -13.630 -6.853 323 HG12 ILE 37 1HG1 ILE 37 -5.541 -13.566 -5.053 324 HG13 ILE 37 2HG1 ILE 37 -5.920 -15.283 -5.330 325 HG21 ILE 37 1HG2 ILE 37 -7.227 -11.910 -5.169 326 HG22 ILE 37 2HG2 ILE 37 -7.660 -13.062 -3.884 327 HG23 ILE 37 3HG2 ILE 37 -8.897 -12.512 -5.039 328 HD11 ILE 37 3HD1 ILE 37 -5.734 -14.933 -7.750 329 HD12 ILE 37 1HD1 ILE 37 -4.234 -14.478 -6.906 330 HD13 ILE 37 2HD1 ILE 37 -5.355 -13.217 -7.473 331 H MET 38 HN MET 38 -6.878 -17.216 -5.445 332 HA MET 38 HA MET 38 -6.646 -17.827 -8.156 333 HB2 MET 38 HB1 MET 38 -6.104 -19.200 -5.600 334 HB3 MET 38 HB2 MET 38 -6.359 -20.272 -6.998 335 HG2 MET 38 HG1 MET 38 -4.432 -17.954 -7.085 336 HG3 MET 38 HG2 MET 38 -3.963 -19.554 -6.460 337 HE1 MET 38 HE1 MET 38 -2.244 -19.519 -9.981 338 HE2 MET 38 HE2 MET 38 -2.021 -19.775 -8.234 339 HE3 MET 38 HE3 MET 38 -2.421 -18.155 -8.852 340 H TYR 39 HN TYR 39 -7.350 -20.238 -8.841 341 HA TYR 39 HA TYR 39 -9.991 -20.137 -9.582 342 HB2 TYR 39 HB1 TYR 39 -9.763 -22.716 -9.764 343 HB3 TYR 39 HB2 TYR 39 -8.713 -21.678 -10.758 344 HD1 TYR 39 HD1 TYR 39 -8.566 -22.927 -7.220 345 HD2 TYR 39 HD2 TYR 39 -6.605 -22.587 -10.980 346 HE1 TYR 39 HE1 TYR 39 -6.583 -24.039 -6.278 347 HE2 TYR 39 HE2 TYR 39 -4.616 -23.699 -10.050 348 HH TYR 39 HH TYR 39 -4.135 -25.311 -8.133
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