NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563775 | 2m9j | 19296 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -11.272 4.668 1.942 2 H2 LYS 1 H2 LYS 1 -10.131 3.534 1.640 3 H3 LYS 1 H3 LYS 1 -11.731 3.115 1.617 4 HA LYS 1 HA LYS 1 -12.092 4.625 -0.261 5 HB2 LYS 1 HB2 LYS 1 -9.053 4.717 -0.355 6 HB3 LYS 1 HB3 LYS 1 -10.144 5.368 -1.561 7 HG2 LYS 1 HG2 LYS 1 -10.696 7.218 -0.301 8 HG3 LYS 1 HG3 LYS 1 -10.539 6.384 1.239 9 HD2 LYS 1 HD2 LYS 1 -8.801 8.038 1.084 10 HD3 LYS 1 HD3 LYS 1 -8.090 6.424 1.083 11 HE2 LYS 1 HE2 LYS 1 -7.946 6.588 -1.458 12 HE3 LYS 1 HE3 LYS 1 -8.461 8.278 -1.315 13 HZ1 LYS 1 HZ1 LYS 1 -6.482 8.637 0.100 14 HZ2 LYS 1 HZ2 LYS 1 -6.046 7.051 -0.110 15 HZ3 LYS 1 HZ3 LYS 1 -6.038 8.056 -1.390 16 H LEU 2 H LEU 2 -9.072 2.710 -0.906 17 HA LEU 2 HA LEU 2 -10.681 0.830 -2.401 18 HB2 LEU 2 HB2 LEU 2 -7.845 0.253 -1.927 19 HB3 LEU 2 HB3 LEU 2 -8.833 -0.223 -3.178 20 HG LEU 2 HG LEU 2 -9.057 1.749 -4.349 21 HD11 LEU 2 HD11 LEU 2 -7.002 3.053 -2.546 22 HD12 LEU 2 HD12 LEU 2 -7.490 3.624 -4.134 23 HD13 LEU 2 HD13 LEU 2 -8.671 3.591 -2.843 24 HD21 LEU 2 HD21 LEU 2 -6.163 0.925 -3.876 25 HD22 LEU 2 HD22 LEU 2 -7.340 0.105 -4.923 26 HD23 LEU 2 HD23 LEU 2 -6.802 1.735 -5.318 27 HA PRO 3 HA PRO 3 -11.869 -2.149 0.324 28 HB2 PRO 3 HB2 PRO 3 -10.106 -4.203 -1.035 29 HB3 PRO 3 HB3 PRO 3 -11.864 -4.336 -0.663 30 HG2 PRO 3 HG2 PRO 3 -11.082 -3.766 -3.156 31 HG3 PRO 3 HG3 PRO 3 -12.361 -2.723 -2.421 32 HD2 PRO 3 HD2 PRO 3 -9.349 -2.237 -2.454 33 HD3 PRO 3 HD3 PRO 3 -10.617 -1.139 -3.021 34 HA PRO 4 HA PRO 4 -9.359 -3.710 3.754 35 HB2 PRO 4 HB2 PRO 4 -11.257 -6.061 3.558 36 HB3 PRO 4 HB3 PRO 4 -10.743 -5.153 5.016 37 HG2 PRO 4 HG2 PRO 4 -13.178 -4.703 3.914 38 HG3 PRO 4 HG3 PRO 4 -12.175 -3.323 4.470 39 HD2 PRO 4 HD2 PRO 4 -12.538 -4.369 1.656 40 HD3 PRO 4 HD3 PRO 4 -12.528 -2.679 2.253 41 H GLY 5 H GLY 5 -7.579 -5.128 3.805 42 HA2 GLY 5 HA2 GLY 5 -6.434 -7.177 2.900 43 HA3 GLY 5 HA3 GLY 5 -7.201 -6.821 1.368 44 H TRP 6 H TRP 6 -6.824 -3.776 1.226 45 HA TRP 6 HA TRP 6 -4.014 -3.769 0.612 46 HB2 TRP 6 HB2 TRP 6 -6.012 -1.570 1.051 47 HB3 TRP 6 HB3 TRP 6 -4.390 -1.359 0.446 48 HD1 TRP 6 HD1 TRP 6 -7.754 -1.807 -0.834 49 HE1 TRP 6 HE1 TRP 6 -7.680 -1.981 -3.370 50 HE3 TRP 6 HE3 TRP 6 -2.775 -2.260 -1.399 51 HZ2 TRP 6 HZ2 TRP 6 -5.692 -2.355 -5.438 52 HZ3 TRP 6 HZ3 TRP 6 -1.790 -2.233 -3.618 53 HH2 TRP 6 HH2 TRP 6 -3.205 -2.358 -5.684 54 H GLU 7 H GLU 7 -2.290 -3.191 1.687 55 HA GLU 7 HA GLU 7 -2.440 -1.934 4.395 56 HB2 GLU 7 HB2 GLU 7 -2.459 -4.444 4.456 57 HB3 GLU 7 HB3 GLU 7 -0.927 -4.442 3.574 58 HG2 GLU 7 HG2 GLU 7 0.136 -3.236 5.492 59 HG3 GLU 7 HG3 GLU 7 -1.413 -3.288 6.356 60 H LYS 8 H LYS 8 -0.520 -0.699 4.954 61 HA LYS 8 HA LYS 8 0.917 0.394 2.748 62 HB2 LYS 8 HB2 LYS 8 0.434 1.561 4.905 63 HB3 LYS 8 HB3 LYS 8 1.684 0.589 5.690 64 HG2 LYS 8 HG2 LYS 8 3.372 1.529 4.116 65 HG3 LYS 8 HG3 LYS 8 2.126 2.453 3.297 66 HD2 LYS 8 HD2 LYS 8 2.656 2.864 6.271 67 HD3 LYS 8 HD3 LYS 8 3.704 3.564 5.048 68 HE2 LYS 8 HE2 LYS 8 2.249 5.310 5.432 69 HE3 LYS 8 HE3 LYS 8 1.617 4.574 3.962 70 HZ1 LYS 8 HZ1 LYS 8 0.526 4.325 6.707 71 HZ2 LYS 8 HZ2 LYS 8 -0.217 4.978 5.376 72 HZ3 LYS 8 HZ3 LYS 8 0.003 3.382 5.453 73 H ARG 9 H ARG 9 3.002 0.220 2.059 74 HA ARG 9 HA ARG 9 4.659 -2.048 3.009 75 HB2 ARG 9 HB2 ARG 9 2.805 -2.625 1.207 76 HB3 ARG 9 HB3 ARG 9 3.828 -1.745 0.090 77 HG2 ARG 9 HG2 ARG 9 4.249 -4.100 -0.125 78 HG3 ARG 9 HG3 ARG 9 5.671 -3.367 0.584 79 HD2 ARG 9 HD2 ARG 9 5.362 -5.359 1.790 80 HD3 ARG 9 HD3 ARG 9 4.801 -4.118 2.891 81 HE ARG 9 HE ARG 9 3.096 -6.003 1.310 82 HH11 ARG 9 HH11 ARG 9 2.823 -3.680 4.084 83 HH12 ARG 9 HH12 ARG 9 1.847 -4.907 4.885 84 HH21 ARG 9 HH21 ARG 9 1.594 -7.211 2.587 85 HH22 ARG 9 HH22 ARG 9 1.125 -6.444 4.123 86 H MET 10 H MET 10 6.890 -1.955 2.223 87 HA MET 10 HA MET 10 7.695 0.723 1.224 88 HB2 MET 10 HB2 MET 10 7.713 0.683 3.732 89 HB3 MET 10 HB3 MET 10 8.915 -0.613 3.655 90 HG2 MET 10 HG2 MET 10 10.295 1.022 2.181 91 HG3 MET 10 HG3 MET 10 9.196 2.268 2.717 92 HE1 MET 10 HE1 MET 10 9.224 3.416 4.976 93 HE2 MET 10 HE2 MET 10 8.592 1.912 5.690 94 HE3 MET 10 HE3 MET 10 9.969 2.745 6.444 95 H PHE 11 H PHE 11 9.255 0.754 -0.205 96 HA PHE 11 HA PHE 11 10.476 -1.687 -1.223 97 HB2 PHE 11 HB2 PHE 11 10.657 1.242 -1.965 98 HB3 PHE 11 HB3 PHE 11 11.433 -0.057 -2.852 99 HD1 PHE 11 HD2 PHE 11 9.906 -2.022 -3.672 100 HD2 PHE 11 HD1 PHE 11 8.389 1.880 -2.564 101 HE1 PHE 11 HE2 PHE 11 7.980 -2.314 -5.209 102 HE2 PHE 11 HE1 PHE 11 6.614 1.655 -4.252 103 HZ PHE 11 HZ PHE 11 6.377 -0.452 -5.542 104 H ARG 12 H ARG 12 11.901 -2.449 0.280 105 HA ARG 12 HA ARG 12 14.058 -0.958 1.486 106 HB2 ARG 12 HB2 ARG 12 13.685 -3.904 0.785 107 HB3 ARG 12 HB3 ARG 12 15.160 -3.287 1.518 108 HG2 ARG 12 HG2 ARG 12 13.734 -4.236 3.218 109 HG3 ARG 12 HG3 ARG 12 13.947 -2.505 3.493 110 HD2 ARG 12 HD2 ARG 12 11.705 -2.031 2.690 111 HD3 ARG 12 HD3 ARG 12 11.505 -3.711 2.137 112 HE ARG 12 HE ARG 12 12.080 -3.580 4.956 113 HH11 ARG 12 HH11 ARG 12 9.399 -3.043 2.721 114 HH12 ARG 12 HH12 ARG 12 8.226 -3.632 3.891 115 HH21 ARG 12 HH21 ARG 12 10.505 -4.162 6.419 116 HH22 ARG 12 HH22 ARG 12 8.832 -4.135 5.963 117 H SER 13 H SER 13 16.221 -0.857 0.839 118 HA SER 13 HA SER 13 17.964 -0.427 -0.479 119 HB2 SER 13 HB2 SER 13 18.308 -1.147 -2.698 120 HB3 SER 13 HB3 SER 13 17.527 -2.469 -1.815 121 HG SER 13 HG SER 13 15.515 -1.668 -2.686 122 H ASN 14 H ASN 14 14.826 1.012 -1.127 123 HA ASN 14 HA ASN 14 16.441 3.433 -1.680 124 HB2 ASN 14 HB2 ASN 14 15.237 4.213 -3.513 125 HB3 ASN 14 HB3 ASN 14 15.673 2.552 -3.876 126 HD21 ASN 14 HD21 ASN 14 14.038 2.559 -5.523 127 H GLY 15 H GLY 15 13.510 2.128 -0.212 128 HA2 GLY 15 HA2 GLY 15 12.816 2.929 1.898 129 HA3 GLY 15 HA3 GLY 15 13.531 4.510 1.569 130 H THR 16 H THR 16 11.859 3.524 -1.171 131 HA THR 16 HA THR 16 9.725 5.442 -0.904 132 HB THR 16 HB THR 16 10.039 3.107 -2.824 133 HG1 THR 16 HG1 THR 16 11.724 4.308 -2.978 134 HG21 THR 16 HG21 THR 16 8.325 5.603 -3.103 135 HG22 THR 16 HG22 THR 16 8.704 4.464 -4.414 136 HG23 THR 16 HG23 THR 16 7.752 3.913 -3.047 137 H VAL 17 H VAL 17 7.382 4.799 -1.114 138 HA VAL 17 HA VAL 17 6.637 2.523 0.601 139 HB VAL 17 HB VAL 17 6.084 5.437 1.209 140 HG11 VAL 17 HG11 VAL 17 4.499 3.073 2.297 141 HG12 VAL 17 HG12 VAL 17 4.465 4.730 2.941 142 HG13 VAL 17 HG13 VAL 17 3.859 4.417 1.319 143 HG21 VAL 17 HG21 VAL 17 6.782 4.751 3.478 144 HG22 VAL 17 HG22 VAL 17 6.919 3.064 2.937 145 HG23 VAL 17 HG23 VAL 17 8.029 4.309 2.306 146 H TYR 18 H TYR 18 4.561 1.829 0.269 147 HA TYR 18 HA TYR 18 2.760 3.009 -1.671 148 HB2 TYR 18 HB2 TYR 18 2.879 1.281 -3.313 149 HB3 TYR 18 HB3 TYR 18 4.466 1.968 -3.141 150 HD1 TYR 18 HD1 TYR 18 6.061 0.600 -1.381 151 HD2 TYR 18 HD2 TYR 18 2.737 -0.976 -3.628 152 HE1 TYR 18 HE1 TYR 18 7.085 -1.640 -1.288 153 HE2 TYR 18 HE2 TYR 18 3.768 -3.262 -3.502 154 HH TYR 18 HH TYR 18 6.996 -3.790 -2.193 155 H TYR 19 H TYR 19 1.160 0.695 -2.160 156 HA TYR 19 HA TYR 19 0.651 -0.475 0.486 157 HB2 TYR 19 HB2 TYR 19 -1.209 1.192 -1.179 158 HB3 TYR 19 HB3 TYR 19 -1.856 -0.292 -0.515 159 HD1 TYR 19 HD2 TYR 19 0.176 2.661 0.639 160 HD2 TYR 19 HD1 TYR 19 -2.836 -0.258 1.600 161 HE1 TYR 19 HE2 TYR 19 -0.159 3.719 2.856 162 HE2 TYR 19 HE1 TYR 19 -3.244 0.870 3.782 163 HH TYR 19 HH TYR 19 -1.889 4.002 4.583 164 H PHE 20 H PHE 20 -0.207 -2.492 0.411 165 HA PHE 20 HA PHE 20 -0.131 -3.963 -2.185 166 HB2 PHE 20 HB2 PHE 20 1.978 -4.061 -0.920 167 HB3 PHE 20 HB3 PHE 20 1.126 -4.684 0.490 168 HD1 PHE 20 HD2 PHE 20 0.137 -7.001 0.453 169 HD2 PHE 20 HD1 PHE 20 2.509 -5.471 -2.808 170 HE1 PHE 20 HE2 PHE 20 0.383 -9.305 -0.468 171 HE2 PHE 20 HE1 PHE 20 2.658 -7.764 -3.767 172 HZ PHE 20 HZ PHE 20 1.574 -9.673 -2.593 173 H ASN 21 H ASN 21 -1.847 -5.267 -2.462 174 HA ASN 21 HA ASN 21 -3.751 -5.565 -0.221 175 HB2 ASN 21 HB2 ASN 21 -4.497 -4.843 -2.546 176 HB3 ASN 21 HB3 ASN 21 -4.155 -6.480 -3.058 177 HD21 ASN 21 HD22 ASN 21 -6.648 -4.488 -1.861 178 HD22 ASN 21 HD21 ASN 21 -7.602 -5.785 -1.157 179 H HIS 22 H HIS 22 -2.961 -7.114 1.190 180 HA HIS 22 HA HIS 22 -1.705 -9.524 0.046 181 HB2 HIS 22 HB2 HIS 22 -1.371 -10.225 2.362 182 HB3 HIS 22 HB3 HIS 22 -0.708 -8.652 1.998 183 HD2 HIS 22 HD2 HIS 22 -1.254 -6.738 3.575 184 HE1 HIS 22 HE1 HIS 22 -4.085 -8.735 6.038 185 HE2 HIS 22 HE2 HIS 22 -2.445 -6.741 5.876 186 H ILE 23 H ILE 23 -4.877 -8.748 0.148 187 HA ILE 23 HA ILE 23 -5.766 -11.557 0.548 188 HB ILE 23 HB ILE 23 -7.143 -8.872 0.439 189 HG12 ILE 23 HG12 ILE 23 -7.060 -11.184 2.425 190 HG13 ILE 23 HG13 ILE 23 -6.243 -9.633 2.581 191 HG21 ILE 23 HG21 ILE 23 -9.313 -9.914 0.476 192 HG22 ILE 23 HG22 ILE 23 -8.483 -10.284 -1.028 193 HG23 ILE 23 HG23 ILE 23 -8.579 -11.529 0.248 194 HD11 ILE 23 HD11 ILE 23 -9.223 -10.175 2.774 195 HD12 ILE 23 HD12 ILE 23 -8.130 -9.553 4.018 196 HD13 ILE 23 HD13 ILE 23 -8.551 -8.536 2.626 197 H THR 24 H THR 24 -5.425 -9.069 -2.024 198 HA THR 24 HA THR 24 -6.186 -11.155 -4.032 199 HB THR 24 HB THR 24 -6.449 -9.398 -5.611 200 HG1 THR 24 HG1 THR 24 -6.164 -7.234 -4.939 201 HG21 THR 24 HG21 THR 24 -8.278 -8.115 -4.675 202 HG22 THR 24 HG22 THR 24 -8.344 -9.758 -4.012 203 HG23 THR 24 HG23 THR 24 -7.719 -8.425 -3.017 204 H ASN 25 H ASN 25 -3.421 -9.462 -2.936 205 HA ASN 25 HA ASN 25 -1.228 -9.671 -3.279 206 HB2 ASN 25 HB2 ASN 25 -1.668 -11.144 -5.903 207 HB3 ASN 25 HB3 ASN 25 -0.154 -10.928 -5.043 208 HD21 ASN 25 HD22 ASN 25 -3.241 -12.603 -5.003 209 HD22 ASN 25 HD21 ASN 25 -2.715 -13.846 -3.845 210 H ALA 26 H ALA 26 -3.341 -7.738 -4.786 211 HA ALA 26 HA ALA 26 -1.767 -6.559 -6.873 212 HB1 ALA 26 HB1 ALA 26 -3.402 -4.739 -6.735 213 HB2 ALA 26 HB2 ALA 26 -4.225 -6.303 -6.609 214 HB3 ALA 26 HB3 ALA 26 -3.952 -5.317 -5.151 215 H SER 27 H SER 27 -0.923 -4.269 -6.881 216 HA SER 27 HA SER 27 -0.038 -3.144 -4.303 217 HB2 SER 27 HB2 SER 27 2.154 -2.531 -5.402 218 HB3 SER 27 HB3 SER 27 1.956 -4.151 -4.742 219 HG SER 27 HG SER 27 1.568 -4.896 -6.853 220 H GLN 28 H GLN 28 -0.027 -0.940 -4.304 221 HA GLN 28 HA GLN 28 -0.340 0.663 -6.747 222 HB2 GLN 28 HB2 GLN 28 -2.648 -0.024 -6.341 223 HB3 GLN 28 HB3 GLN 28 -2.517 0.365 -4.626 224 HG2 GLN 28 HG2 GLN 28 -3.847 2.007 -5.927 225 HG3 GLN 28 HG3 GLN 28 -2.495 2.715 -5.061 226 HE21 GLN 28 HE22 GLN 28 -3.424 1.566 -8.407 227 HE22 GLN 28 HE21 GLN 28 -2.360 2.752 -9.147 228 H PHE 29 H PHE 29 0.184 2.946 -6.257 229 HA PHE 29 HA PHE 29 1.800 3.129 -3.764 230 HB2 PHE 29 HB2 PHE 29 1.765 4.747 -6.304 231 HB3 PHE 29 HB3 PHE 29 2.624 5.230 -4.853 232 HD1 PHE 29 HD2 PHE 29 2.685 1.539 -5.711 233 HD2 PHE 29 HD1 PHE 29 4.706 5.367 -6.065 234 HE1 PHE 29 HE2 PHE 29 4.625 0.439 -6.644 235 HE2 PHE 29 HE1 PHE 29 6.705 4.194 -6.928 236 HZ PHE 29 HZ PHE 29 6.666 1.731 -7.246 237 H GLU 30 H GLU 30 -1.118 4.590 -5.262 238 HA GLU 30 HA GLU 30 -1.365 6.480 -3.046 239 HB2 GLU 30 HB2 GLU 30 -2.627 6.246 -5.493 240 HB3 GLU 30 HB3 GLU 30 -3.899 5.762 -4.384 241 HG2 GLU 30 HG2 GLU 30 -2.256 8.340 -4.257 242 HG3 GLU 30 HG3 GLU 30 -3.883 8.201 -4.913 243 H ARG 31 H ARG 31 -2.756 6.364 -1.379 244 HA ARG 31 HA ARG 31 -2.741 3.669 -0.131 245 HB2 ARG 31 HB2 ARG 31 -3.129 6.361 1.211 246 HB3 ARG 31 HB3 ARG 31 -2.794 4.809 1.969 247 HG2 ARG 31 HG2 ARG 31 -0.641 5.536 1.930 248 HG3 ARG 31 HG3 ARG 31 -0.645 4.898 0.286 249 HD2 ARG 31 HD2 ARG 31 0.381 7.055 0.313 250 HD3 ARG 31 HD3 ARG 31 -1.178 7.265 -0.485 251 HE ARG 31 HE ARG 31 -0.791 7.750 2.461 252 HH11 ARG 31 HH11 ARG 31 -2.499 8.913 -0.454 253 HH12 ARG 31 HH12 ARG 31 -3.049 10.306 0.449 254 HH21 ARG 31 HH21 ARG 31 -1.726 9.091 3.440 255 HH22 ARG 31 HH22 ARG 31 -2.689 10.411 2.741 256 HA PRO 32 HA PRO 32 -7.302 3.337 -0.416 257 HB2 PRO 32 HB2 PRO 32 -6.433 1.057 1.366 258 HB3 PRO 32 HB3 PRO 32 -7.820 1.134 0.243 259 HG2 PRO 32 HG2 PRO 32 -5.763 0.070 -0.777 260 HG3 PRO 32 HG3 PRO 32 -6.257 1.396 -1.669 261 HD2 PRO 32 HD2 PRO 32 -4.092 1.553 0.425 262 HD3 PRO 32 HD3 PRO 32 -4.045 2.118 -1.275 263 H SER 33 H SER 33 -5.361 3.412 2.510 264 HA SER 33 HA SER 33 -7.573 4.817 3.953 265 HB2 SER 33 HB2 SER 33 -6.376 4.199 6.041 266 HB3 SER 33 HB3 SER 33 -7.001 2.812 5.126 267 HG SER 33 HG SER 33 -4.840 2.470 5.814 268 H GLY 34 H GLY 34 -4.058 4.851 4.557 269 HA2 GLY 34 HA2 GLY 34 -3.728 7.613 3.604 270 HA3 GLY 34 HA3 GLY 34 -3.734 7.425 5.358 271 H1 NAG 101 H1 NAG 35 11.275 2.198 -4.477 272 H2 NAG 101 H2 NAG 35 12.154 3.141 -7.263 273 H3 NAG 101 H3 NAG 35 9.342 2.442 -6.271 274 H4 NAG 101 H4 NAG 35 11.145 1.008 -8.296 275 H5 NAG 101 H5 NAG 35 10.182 0.207 -5.528 276 H61 NAG 101 H61 NAG 35 10.350 -1.836 -6.855 277 H62 NAG 101 H62 NAG 35 11.897 -1.305 -7.545 278 H81 NAG 101 H2M NAG 35 11.649 7.051 -5.461 279 H82 NAG 101 H3M NAG 35 9.882 6.843 -5.504 280 H83 NAG 101 H1M NAG 35 10.718 7.640 -6.856 281 HN2 NAG 101 H2N NAG 35 11.075 4.591 -4.987 282 HO3 NAG 101 H3O NAG 35 10.077 4.043 -8.241 283 HO4 NAG 101 H4O NAG 35 8.802 1.192 -8.491 284 HO6 NAG 101 H6O NAG 35 12.588 -1.157 -5.247 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -3.678 -1.272 6.795 2 H2 LYS 1 H2 LYS 1 -4.580 -2.565 6.348 3 H3 LYS 1 H3 LYS 1 -3.581 -2.651 7.656 4 HA LYS 1 HA LYS 1 -5.895 -2.376 8.413 5 HB2 LYS 1 HB2 LYS 1 -4.042 -0.008 8.836 6 HB3 LYS 1 HB3 LYS 1 -5.511 -0.258 9.772 7 HG2 LYS 1 HG2 LYS 1 -4.729 -2.114 10.903 8 HG3 LYS 1 HG3 LYS 1 -3.492 -2.499 9.727 9 HD2 LYS 1 HD2 LYS 1 -3.445 -0.071 11.569 10 HD3 LYS 1 HD3 LYS 1 -2.578 -1.577 11.869 11 HE2 LYS 1 HE2 LYS 1 -2.134 0.246 9.458 12 HE3 LYS 1 HE3 LYS 1 -1.134 0.241 10.909 13 HZ1 LYS 1 HZ1 LYS 1 -0.350 -1.921 10.390 14 HZ2 LYS 1 HZ2 LYS 1 -1.528 -2.205 9.262 15 HZ3 LYS 1 HZ3 LYS 1 -0.397 -1.184 8.890 16 H LEU 2 H LEU 2 -6.599 -2.147 5.870 17 HA LEU 2 HA LEU 2 -8.140 0.231 5.420 18 HB2 LEU 2 HB2 LEU 2 -5.567 -0.405 3.982 19 HB3 LEU 2 HB3 LEU 2 -6.875 0.348 3.083 20 HG LEU 2 HG LEU 2 -5.504 1.470 5.561 21 HD11 LEU 2 HD11 LEU 2 -5.587 2.692 2.840 22 HD12 LEU 2 HD12 LEU 2 -4.448 2.985 4.154 23 HD13 LEU 2 HD13 LEU 2 -4.391 1.477 3.209 24 HD21 LEU 2 HD21 LEU 2 -6.794 3.562 4.988 25 HD22 LEU 2 HD22 LEU 2 -7.763 2.612 3.843 26 HD23 LEU 2 HD23 LEU 2 -7.826 2.288 5.601 27 HA PRO 3 HA PRO 3 -11.024 -2.312 3.708 28 HB2 PRO 3 HB2 PRO 3 -10.470 -1.746 0.793 29 HB3 PRO 3 HB3 PRO 3 -12.044 -1.771 1.650 30 HG2 PRO 3 HG2 PRO 3 -10.866 0.589 1.145 31 HG3 PRO 3 HG3 PRO 3 -11.568 0.282 2.769 32 HD2 PRO 3 HD2 PRO 3 -8.688 0.129 1.899 33 HD3 PRO 3 HD3 PRO 3 -9.362 0.852 3.366 34 HA PRO 4 HA PRO 4 -10.136 -6.415 3.388 35 HB2 PRO 4 HB2 PRO 4 -11.513 -6.690 0.776 36 HB3 PRO 4 HB3 PRO 4 -11.544 -7.822 2.164 37 HG2 PRO 4 HG2 PRO 4 -13.565 -6.026 1.892 38 HG3 PRO 4 HG3 PRO 4 -12.827 -6.309 3.499 39 HD2 PRO 4 HD2 PRO 4 -12.437 -4.005 1.627 40 HD3 PRO 4 HD3 PRO 4 -12.447 -4.024 3.416 41 H GLY 5 H GLY 5 -8.208 -6.575 3.338 42 HA2 GLY 5 HA2 GLY 5 -6.352 -7.933 2.472 43 HA3 GLY 5 HA3 GLY 5 -6.637 -7.237 0.899 44 H TRP 6 H TRP 6 -6.821 -4.341 2.160 45 HA TRP 6 HA TRP 6 -4.114 -3.858 1.366 46 HB2 TRP 6 HB2 TRP 6 -6.095 -2.043 2.633 47 HB3 TRP 6 HB3 TRP 6 -4.588 -1.497 1.961 48 HD1 TRP 6 HD1 TRP 6 -8.021 -1.736 1.159 49 HE1 TRP 6 HE1 TRP 6 -8.458 -1.141 -1.233 50 HE3 TRP 6 HE3 TRP 6 -3.268 -2.181 -0.529 51 HZ2 TRP 6 HZ2 TRP 6 -6.890 -0.987 -3.739 52 HZ3 TRP 6 HZ3 TRP 6 -2.710 -1.578 -2.854 53 HH2 TRP 6 HH2 TRP 6 -4.511 -1.050 -4.498 54 H GLU 7 H GLU 7 -2.304 -3.733 2.324 55 HA GLU 7 HA GLU 7 -2.084 -2.448 4.949 56 HB2 GLU 7 HB2 GLU 7 -2.196 -4.883 5.421 57 HB3 GLU 7 HB3 GLU 7 -0.772 -5.141 4.417 58 HG2 GLU 7 HG2 GLU 7 -0.302 -5.059 6.881 59 HG3 GLU 7 HG3 GLU 7 0.609 -3.865 5.957 60 H LYS 8 H LYS 8 -0.139 -1.394 5.349 61 HA LYS 8 HA LYS 8 0.992 -0.148 3.058 62 HB2 LYS 8 HB2 LYS 8 0.580 0.820 5.347 63 HB3 LYS 8 HB3 LYS 8 2.049 0.018 5.901 64 HG2 LYS 8 HG2 LYS 8 3.359 1.316 4.216 65 HG3 LYS 8 HG3 LYS 8 1.878 2.059 3.613 66 HD2 LYS 8 HD2 LYS 8 2.841 2.318 6.488 67 HD3 LYS 8 HD3 LYS 8 3.287 3.466 5.233 68 HE2 LYS 8 HE2 LYS 8 0.361 2.854 5.793 69 HE3 LYS 8 HE3 LYS 8 1.243 3.969 6.828 70 HZ1 LYS 8 HZ1 LYS 8 -0.008 4.957 4.880 71 HZ2 LYS 8 HZ2 LYS 8 1.557 5.446 5.052 72 HZ3 LYS 8 HZ3 LYS 8 1.147 4.335 3.904 73 H ARG 9 H ARG 9 3.075 -0.064 2.246 74 HA ARG 9 HA ARG 9 4.938 -2.263 2.936 75 HB2 ARG 9 HB2 ARG 9 3.044 -2.746 1.074 76 HB3 ARG 9 HB3 ARG 9 4.104 -1.827 0.050 77 HG2 ARG 9 HG2 ARG 9 4.351 -4.282 -0.125 78 HG3 ARG 9 HG3 ARG 9 5.865 -3.509 0.306 79 HD2 ARG 9 HD2 ARG 9 5.213 -5.712 1.521 80 HD3 ARG 9 HD3 ARG 9 5.897 -4.389 2.453 81 HE ARG 9 HE ARG 9 3.737 -3.832 3.348 82 HH11 ARG 9 HH11 ARG 9 3.476 -6.864 1.598 83 HH12 ARG 9 HH12 ARG 9 1.933 -7.211 2.332 84 HH21 ARG 9 HH22 ARG 9 1.929 -4.200 4.107 85 HH22 ARG 9 HH21 ARG 9 1.005 -5.657 3.757 86 H MET 10 H MET 10 7.101 -1.986 2.127 87 HA MET 10 HA MET 10 7.754 0.786 1.306 88 HB2 MET 10 HB2 MET 10 7.872 0.477 3.834 89 HB3 MET 10 HB3 MET 10 9.148 -0.711 3.546 90 HG2 MET 10 HG2 MET 10 10.283 1.247 2.166 91 HG3 MET 10 HG3 MET 10 9.140 2.270 3.009 92 HE1 MET 10 HE1 MET 10 11.451 -0.849 3.993 93 HE2 MET 10 HE2 MET 10 12.419 0.310 3.050 94 HE3 MET 10 HE3 MET 10 12.772 0.046 4.774 95 H PHE 11 H PHE 11 9.396 0.962 -0.098 96 HA PHE 11 HA PHE 11 10.541 -1.468 -1.246 97 HB2 PHE 11 HB2 PHE 11 10.638 1.464 -1.926 98 HB3 PHE 11 HB3 PHE 11 11.493 0.237 -2.841 99 HD1 PHE 11 HD1 PHE 11 10.100 -1.828 -3.650 100 HD2 PHE 11 HD2 PHE 11 8.306 1.954 -2.546 101 HE1 PHE 11 HE1 PHE 11 8.219 -2.254 -5.205 102 HE2 PHE 11 HE2 PHE 11 6.533 1.580 -4.222 103 HZ PHE 11 HZ PHE 11 6.469 -0.544 -5.511 104 H ARG 12 H ARG 12 12.115 -2.334 -0.070 105 HA ARG 12 HA ARG 12 14.294 -1.048 1.190 106 HB2 ARG 12 HB2 ARG 12 15.503 -3.230 0.842 107 HB3 ARG 12 HB3 ARG 12 13.945 -3.310 1.627 108 HG2 ARG 12 HG2 ARG 12 13.545 -5.034 0.313 109 HG3 ARG 12 HG3 ARG 12 13.132 -3.874 -0.925 110 HD2 ARG 12 HD2 ARG 12 15.860 -5.191 -0.548 111 HD3 ARG 12 HD3 ARG 12 14.621 -5.747 -1.667 112 HE ARG 12 HE ARG 12 16.486 -3.561 -2.090 113 HH11 ARG 12 HH22 ARG 12 13.185 -4.448 -3.082 114 HH12 ARG 12 HH21 ARG 12 13.334 -3.303 -4.426 115 HH21 ARG 12 HH11 ARG 12 16.543 -2.460 -3.868 116 HH22 ARG 12 HH12 ARG 12 15.109 -2.357 -4.920 117 H SER 13 H SER 13 16.518 -0.911 0.508 118 HA SER 13 HA SER 13 18.130 0.079 -0.680 119 HB2 SER 13 HB2 SER 13 16.769 -0.574 -3.285 120 HB3 SER 13 HB3 SER 13 18.477 -0.271 -2.993 121 HG SER 13 HG SER 13 18.669 -2.221 -1.991 122 H ASN 14 H ASN 14 14.864 1.394 -1.073 123 HA ASN 14 HA ASN 14 16.331 3.945 -1.421 124 HB2 ASN 14 HB2 ASN 14 15.008 4.806 -3.186 125 HB3 ASN 14 HB3 ASN 14 15.684 3.267 -3.693 126 HD21 ASN 14 HD21 ASN 14 14.104 3.043 -5.347 127 H GLY 15 H GLY 15 13.441 2.391 -0.074 128 HA2 GLY 15 HA2 GLY 15 12.560 3.103 1.987 129 HA3 GLY 15 HA3 GLY 15 13.285 4.701 1.784 130 H THR 16 H THR 16 11.742 3.754 -1.081 131 HA THR 16 HA THR 16 9.524 5.595 -0.911 132 HB THR 16 HB THR 16 9.961 3.208 -2.739 133 HG1 THR 16 HG1 THR 16 11.605 4.463 -2.927 134 HG21 THR 16 HG21 THR 16 8.610 4.304 -4.396 135 HG22 THR 16 HG22 THR 16 7.634 3.978 -2.979 136 HG23 THR 16 HG23 THR 16 8.229 5.637 -3.268 137 H VAL 17 H VAL 17 7.187 4.830 -1.084 138 HA VAL 17 HA VAL 17 6.563 2.530 0.644 139 HB VAL 17 HB VAL 17 5.982 5.407 1.359 140 HG11 VAL 17 HG11 VAL 17 4.430 3.005 2.412 141 HG12 VAL 17 HG12 VAL 17 4.406 4.641 3.104 142 HG13 VAL 17 HG13 VAL 17 3.765 4.375 1.487 143 HG21 VAL 17 HG21 VAL 17 6.727 4.644 3.592 144 HG22 VAL 17 HG22 VAL 17 6.860 2.978 2.988 145 HG23 VAL 17 HG23 VAL 17 7.953 4.250 2.382 146 H TYR 18 H TYR 18 4.551 1.754 0.395 147 HA TYR 18 HA TYR 18 2.610 2.878 -1.452 148 HB2 TYR 18 HB2 TYR 18 2.750 1.168 -3.111 149 HB3 TYR 18 HB3 TYR 18 4.307 1.925 -2.988 150 HD1 TYR 18 HD1 TYR 18 6.040 0.624 -1.308 151 HD2 TYR 18 HD2 TYR 18 2.664 -1.132 -3.364 152 HE1 TYR 18 HE1 TYR 18 7.187 -1.563 -1.328 153 HE2 TYR 18 HE2 TYR 18 3.832 -3.316 -3.388 154 HH TYR 18 HH TYR 18 5.858 -4.386 -3.038 155 H TYR 19 H TYR 19 1.032 0.650 -1.905 156 HA TYR 19 HA TYR 19 0.714 -0.710 0.715 157 HB2 TYR 19 HB2 TYR 19 -1.142 1.102 -0.698 158 HB3 TYR 19 HB3 TYR 19 -1.857 -0.445 -0.377 159 HD1 TYR 19 HD1 TYR 19 -0.073 2.353 1.197 160 HD2 TYR 19 HD2 TYR 19 -2.407 -1.163 1.857 161 HE1 TYR 19 HE1 TYR 19 -0.690 3.206 3.464 162 HE2 TYR 19 HE2 TYR 19 -2.869 -0.444 4.205 163 HH TYR 19 HH TYR 19 -1.950 2.771 5.444 164 H PHE 20 H PHE 20 -0.249 -2.699 0.669 165 HA PHE 20 HA PHE 20 -0.305 -4.113 -1.949 166 HB2 PHE 20 HB2 PHE 20 1.786 -4.336 -0.657 167 HB3 PHE 20 HB3 PHE 20 0.892 -4.986 0.708 168 HD1 PHE 20 HD2 PHE 20 -0.227 -7.244 0.518 169 HD2 PHE 20 HD1 PHE 20 2.359 -5.689 -2.560 170 HE1 PHE 20 HE2 PHE 20 0.001 -9.529 -0.468 171 HE2 PHE 20 HE1 PHE 20 2.485 -7.954 -3.592 172 HZ PHE 20 HZ PHE 20 1.287 -9.865 -2.535 173 H ASN 21 H ASN 21 -2.110 -5.269 -2.246 174 HA ASN 21 HA ASN 21 -4.032 -5.543 -0.009 175 HB2 ASN 21 HB2 ASN 21 -4.817 -4.543 -2.194 176 HB3 ASN 21 HB3 ASN 21 -4.409 -6.066 -2.962 177 HD21 ASN 21 HD22 ASN 21 -6.796 -4.355 -1.023 178 HD22 ASN 21 HD21 ASN 21 -7.796 -5.771 -0.731 179 H HIS 22 H HIS 22 -3.299 -7.286 1.224 180 HA HIS 22 HA HIS 22 -2.070 -9.609 0.010 181 HB2 HIS 22 HB2 HIS 22 -1.908 -10.445 2.286 182 HB3 HIS 22 HB3 HIS 22 -1.365 -8.782 2.181 183 HD2 HIS 22 HD2 HIS 22 -2.083 -7.416 4.235 184 HE1 HIS 22 HE1 HIS 22 -5.762 -9.355 5.170 185 HE2 HIS 22 HE2 HIS 22 -4.130 -7.520 5.880 186 H ILE 23 H ILE 23 -5.324 -8.892 -0.082 187 HA ILE 23 HA ILE 23 -6.120 -11.761 0.168 188 HB ILE 23 HB ILE 23 -7.586 -9.130 0.215 189 HG12 ILE 23 HG12 ILE 23 -7.564 -11.671 1.924 190 HG13 ILE 23 HG13 ILE 23 -6.773 -10.152 2.308 191 HG21 ILE 23 HG21 ILE 23 -9.742 -10.215 0.051 192 HG22 ILE 23 HG22 ILE 23 -8.847 -10.397 -1.445 193 HG23 ILE 23 HG23 ILE 23 -8.960 -11.777 -0.321 194 HD11 ILE 23 HD11 ILE 23 -8.719 -10.270 3.661 195 HD12 ILE 23 HD12 ILE 23 -9.096 -9.087 2.395 196 HD13 ILE 23 HD13 ILE 23 -9.751 -10.735 2.301 197 H THR 24 H THR 24 -5.720 -9.158 -2.160 198 HA THR 24 HA THR 24 -6.462 -10.993 -4.410 199 HB THR 24 HB THR 24 -6.419 -8.947 -5.794 200 HG1 THR 24 HG1 THR 24 -6.059 -7.609 -3.333 201 HG21 THR 24 HG21 THR 24 -8.092 -8.535 -3.270 202 HG22 THR 24 HG22 THR 24 -8.350 -7.784 -4.856 203 HG23 THR 24 HG23 THR 24 -8.554 -9.539 -4.664 204 H ASN 25 H ASN 25 -3.686 -9.489 -2.967 205 HA ASN 25 HA ASN 25 -1.498 -9.641 -3.244 206 HB2 ASN 25 HB2 ASN 25 -1.815 -10.966 -5.956 207 HB3 ASN 25 HB3 ASN 25 -0.349 -10.831 -5.000 208 HD21 ASN 25 HD22 ASN 25 -3.435 -12.473 -5.271 209 HD22 ASN 25 HD21 ASN 25 -2.995 -13.799 -4.172 210 H ALA 26 H ALA 26 -3.571 -7.598 -4.602 211 HA ALA 26 HA ALA 26 -1.995 -6.433 -6.720 212 HB1 ALA 26 HB1 ALA 26 -4.150 -5.144 -4.992 213 HB2 ALA 26 HB2 ALA 26 -3.585 -4.596 -6.576 214 HB3 ALA 26 HB3 ALA 26 -4.464 -6.132 -6.438 215 H SER 27 H SER 27 -1.000 -4.233 -6.641 216 HA SER 27 HA SER 27 -0.235 -3.187 -4.000 217 HB2 SER 27 HB2 SER 27 2.090 -2.734 -4.950 218 HB3 SER 27 HB3 SER 27 1.730 -4.314 -4.256 219 HG SER 27 HG SER 27 1.405 -5.077 -6.395 220 H GLN 28 H GLN 28 -0.098 -1.004 -3.994 221 HA GLN 28 HA GLN 28 -0.142 0.520 -6.516 222 HB2 GLN 28 HB2 GLN 28 -2.502 -0.061 -6.227 223 HB3 GLN 28 HB3 GLN 28 -2.469 0.480 -4.547 224 HG2 GLN 28 HG2 GLN 28 -3.574 2.113 -6.036 225 HG3 GLN 28 HG3 GLN 28 -2.162 2.762 -5.209 226 HE21 GLN 28 HE22 GLN 28 -3.177 1.408 -8.442 227 HE22 GLN 28 HE21 GLN 28 -1.971 2.377 -9.274 228 H PHE 29 H PHE 29 0.562 2.635 -6.261 229 HA PHE 29 HA PHE 29 1.952 3.227 -3.710 230 HB2 PHE 29 HB2 PHE 29 2.058 4.563 -6.419 231 HB3 PHE 29 HB3 PHE 29 2.987 5.031 -5.007 232 HD1 PHE 29 HD2 PHE 29 2.855 1.317 -5.474 233 HD2 PHE 29 HD1 PHE 29 4.900 4.985 -6.565 234 HE1 PHE 29 HE2 PHE 29 4.604 0.034 -6.545 235 HE2 PHE 29 HE1 PHE 29 6.742 3.636 -7.525 236 HZ PHE 29 HZ PHE 29 6.588 1.163 -7.555 237 H GLU 30 H GLU 30 -0.582 4.612 -5.941 238 HA GLU 30 HA GLU 30 -1.206 6.656 -3.885 239 HB2 GLU 30 HB2 GLU 30 -2.331 5.887 -6.520 240 HB3 GLU 30 HB3 GLU 30 -3.296 6.895 -5.445 241 HG2 GLU 30 HG2 GLU 30 -0.521 7.622 -6.478 242 HG3 GLU 30 HG3 GLU 30 -2.052 8.332 -7.012 243 H ARG 31 H ARG 31 -1.316 5.377 -2.441 244 HA ARG 31 HA ARG 31 -2.935 3.169 -1.914 245 HB2 ARG 31 HB2 ARG 31 -2.056 3.058 0.179 246 HB3 ARG 31 HB3 ARG 31 -0.763 3.672 -0.832 247 HG2 ARG 31 HG2 ARG 31 -2.335 5.150 1.323 248 HG3 ARG 31 HG3 ARG 31 -0.694 4.586 1.407 249 HD2 ARG 31 HD2 ARG 31 -0.585 6.881 1.178 250 HD3 ARG 31 HD3 ARG 31 -0.041 6.187 -0.367 251 HE ARG 31 HE ARG 31 -2.903 6.810 -0.263 252 HH11 ARG 31 HH11 ARG 31 0.169 8.093 -1.388 253 HH12 ARG 31 HH12 ARG 31 -0.582 8.823 -2.801 254 HH21 ARG 31 HH21 ARG 31 -3.781 7.816 -1.880 255 HH22 ARG 31 HH22 ARG 31 -2.822 8.803 -2.999 256 HA PRO 32 HA PRO 32 -6.881 4.676 -0.427 257 HB2 PRO 32 HB2 PRO 32 -7.420 2.733 1.499 258 HB3 PRO 32 HB3 PRO 32 -7.807 2.665 -0.232 259 HG2 PRO 32 HG2 PRO 32 -5.577 1.239 1.184 260 HG3 PRO 32 HG3 PRO 32 -6.486 0.802 -0.234 261 HD2 PRO 32 HD2 PRO 32 -3.919 1.933 -0.156 262 HD3 PRO 32 HD3 PRO 32 -4.940 1.868 -1.608 263 H SER 33 H SER 33 -7.732 5.599 1.757 264 HA SER 33 HA SER 33 -5.999 7.375 2.755 265 HB2 SER 33 HB2 SER 33 -8.502 6.394 4.151 266 HB3 SER 33 HB3 SER 33 -7.770 8.010 4.252 267 HG SER 33 HG SER 33 -9.451 8.008 2.746 268 H GLY 34 H GLY 34 -4.077 5.881 3.396 269 HA2 GLY 34 HA2 GLY 34 -3.354 6.683 5.968 270 HA3 GLY 34 HA3 GLY 34 -3.969 5.043 6.179 271 H1 NAG 101 H1 NAG 35 11.454 2.135 -4.322 272 H2 NAG 101 H2 NAG 35 12.182 3.044 -7.151 273 H3 NAG 101 H3 NAG 35 9.601 1.802 -6.057 274 H4 NAG 101 H4 NAG 35 11.659 0.766 -8.084 275 H5 NAG 101 H5 NAG 35 10.987 -0.258 -5.300 276 H61 NAG 101 H61 NAG 35 11.756 -2.155 -6.583 277 H62 NAG 101 H62 NAG 35 13.026 -1.181 -7.356 278 H81 NAG 101 H2M NAG 35 10.095 7.237 -7.107 279 H82 NAG 101 H3M NAG 35 10.899 6.842 -5.572 280 H83 NAG 101 H1M NAG 35 9.182 6.437 -5.807 281 HN2 NAG 101 H2N NAG 35 10.886 4.450 -4.984 282 HO3 NAG 101 H3O NAG 35 9.933 3.420 -8.145 283 HO4 NAG 101 H4O NAG 35 9.318 0.358 -8.182 284 HO6 NAG 101 H6O NAG 35 13.484 -0.716 -4.954 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -11.892 6.355 0.196 2 H2 LYS 1 H2 LYS 1 -11.627 4.814 0.700 3 H3 LYS 1 H3 LYS 1 -12.627 5.082 -0.559 4 HA LYS 1 HA LYS 1 -10.861 5.869 -1.935 5 HB2 LYS 1 HB2 LYS 1 -8.958 5.258 0.360 6 HB3 LYS 1 HB3 LYS 1 -8.561 5.765 -1.276 7 HG2 LYS 1 HG2 LYS 1 -9.811 7.928 -0.838 8 HG3 LYS 1 HG3 LYS 1 -10.005 7.397 0.842 9 HD2 LYS 1 HD2 LYS 1 -8.085 8.829 0.811 10 HD3 LYS 1 HD3 LYS 1 -7.476 7.174 0.980 11 HE2 LYS 1 HE2 LYS 1 -7.167 7.168 -1.576 12 HE3 LYS 1 HE3 LYS 1 -7.544 8.887 -1.559 13 HZ1 LYS 1 HZ1 LYS 1 -5.176 8.323 -1.543 14 HZ2 LYS 1 HZ2 LYS 1 -5.561 9.229 -0.211 15 HZ3 LYS 1 HZ3 LYS 1 -5.306 7.578 -0.112 16 H LEU 2 H LEU 2 -9.712 3.148 0.205 17 HA LEU 2 HA LEU 2 -10.445 1.313 -1.854 18 HB2 LEU 2 HB2 LEU 2 -7.597 0.862 -1.371 19 HB3 LEU 2 HB3 LEU 2 -8.611 0.345 -2.602 20 HG LEU 2 HG LEU 2 -8.887 2.466 -3.697 21 HD11 LEU 2 HD11 LEU 2 -7.617 4.319 -3.399 22 HD12 LEU 2 HD12 LEU 2 -7.585 3.756 -1.711 23 HD13 LEU 2 HD13 LEU 2 -6.224 3.435 -2.765 24 HD21 LEU 2 HD21 LEU 2 -6.859 2.172 -4.996 25 HD22 LEU 2 HD22 LEU 2 -6.132 1.199 -3.683 26 HD23 LEU 2 HD23 LEU 2 -7.559 0.624 -4.569 27 HA PRO 3 HA PRO 3 -11.473 -1.450 1.110 28 HB2 PRO 3 HB2 PRO 3 -9.797 -3.576 -0.261 29 HB3 PRO 3 HB3 PRO 3 -11.528 -3.674 0.187 30 HG2 PRO 3 HG2 PRO 3 -10.874 -3.211 -2.350 31 HG3 PRO 3 HG3 PRO 3 -12.104 -2.124 -1.594 32 HD2 PRO 3 HD2 PRO 3 -9.095 -1.683 -1.763 33 HD3 PRO 3 HD3 PRO 3 -10.356 -0.608 -2.362 34 HA PRO 4 HA PRO 4 -8.735 -2.917 4.394 35 HB2 PRO 4 HB2 PRO 4 -10.168 -5.122 5.266 36 HB3 PRO 4 HB3 PRO 4 -10.557 -3.432 5.714 37 HG2 PRO 4 HG2 PRO 4 -11.788 -5.113 3.517 38 HG3 PRO 4 HG3 PRO 4 -12.621 -4.084 4.728 39 HD2 PRO 4 HD2 PRO 4 -12.182 -3.200 2.233 40 HD3 PRO 4 HD3 PRO 4 -11.961 -2.094 3.615 41 H GLY 5 H GLY 5 -7.045 -4.410 4.367 42 HA2 GLY 5 HA2 GLY 5 -6.070 -6.551 3.435 43 HA3 GLY 5 HA3 GLY 5 -6.943 -6.187 1.969 44 H TRP 6 H TRP 6 -6.445 -3.127 1.790 45 HA TRP 6 HA TRP 6 -3.694 -3.284 0.905 46 HB2 TRP 6 HB2 TRP 6 -5.544 -0.981 1.469 47 HB3 TRP 6 HB3 TRP 6 -3.971 -0.839 0.744 48 HD1 TRP 6 HD1 TRP 6 -7.434 -1.273 -0.234 49 HE1 TRP 6 HE1 TRP 6 -7.531 -1.215 -2.754 50 HE3 TRP 6 HE3 TRP 6 -2.513 -1.808 -1.204 51 HZ2 TRP 6 HZ2 TRP 6 -5.734 -1.701 -5.007 52 HZ3 TRP 6 HZ3 TRP 6 -1.703 -1.817 -3.488 53 HH2 TRP 6 HH2 TRP 6 -3.278 -1.848 -5.444 54 H GLU 7 H GLU 7 -1.881 -2.821 1.858 55 HA GLU 7 HA GLU 7 -1.759 -1.604 4.581 56 HB2 GLU 7 HB2 GLU 7 -2.032 -4.164 4.464 57 HB3 GLU 7 HB3 GLU 7 -0.416 -4.201 3.753 58 HG2 GLU 7 HG2 GLU 7 0.470 -3.121 5.833 59 HG3 GLU 7 HG3 GLU 7 -1.169 -3.092 6.495 60 H LYS 8 H LYS 8 0.197 -0.517 5.050 61 HA LYS 8 HA LYS 8 1.663 0.574 2.924 62 HB2 LYS 8 HB2 LYS 8 1.368 1.650 5.063 63 HB3 LYS 8 HB3 LYS 8 2.369 0.467 5.894 64 HG2 LYS 8 HG2 LYS 8 3.544 2.013 3.569 65 HG3 LYS 8 HG3 LYS 8 3.235 2.884 5.065 66 HD2 LYS 8 HD2 LYS 8 4.673 1.412 6.348 67 HD3 LYS 8 HD3 LYS 8 4.964 0.375 4.936 68 HE2 LYS 8 HE2 LYS 8 6.004 2.216 3.727 69 HE3 LYS 8 HE3 LYS 8 5.643 3.343 5.041 70 HZ1 LYS 8 HZ1 LYS 8 7.943 2.545 5.115 71 HZ2 LYS 8 HZ2 LYS 8 7.123 2.098 6.468 72 HZ3 LYS 8 HZ3 LYS 8 7.435 0.996 5.292 73 H ARG 9 H ARG 9 3.524 0.189 1.913 74 HA ARG 9 HA ARG 9 5.192 -2.159 2.689 75 HB2 ARG 9 HB2 ARG 9 3.119 -2.417 0.887 76 HB3 ARG 9 HB3 ARG 9 4.375 -1.838 -0.181 77 HG2 ARG 9 HG2 ARG 9 4.593 -4.110 -0.377 78 HG3 ARG 9 HG3 ARG 9 5.814 -3.788 0.825 79 HD2 ARG 9 HD2 ARG 9 3.209 -5.260 1.078 80 HD3 ARG 9 HD3 ARG 9 4.789 -5.687 1.693 81 HE ARG 9 HE ARG 9 3.939 -3.420 3.173 82 HH11 ARG 9 HH21 ARG 9 2.373 -6.648 2.883 83 HH12 ARG 9 HH22 ARG 9 1.643 -6.281 4.475 84 HH21 ARG 9 HH11 ARG 9 3.001 -3.349 5.051 85 HH22 ARG 9 HH12 ARG 9 2.026 -4.762 5.573 86 H MET 10 H MET 10 7.327 -2.154 1.763 87 HA MET 10 HA MET 10 8.192 0.546 0.876 88 HB2 MET 10 HB2 MET 10 8.251 0.113 3.428 89 HB3 MET 10 HB3 MET 10 9.619 -0.954 3.080 90 HG2 MET 10 HG2 MET 10 10.767 0.988 1.964 91 HG3 MET 10 HG3 MET 10 9.375 1.982 2.302 92 HE1 MET 10 HE1 MET 10 11.536 -0.598 4.478 93 HE2 MET 10 HE2 MET 10 12.647 0.498 3.620 94 HE3 MET 10 HE3 MET 10 12.495 0.589 5.389 95 H PHE 11 H PHE 11 9.844 0.644 -0.518 96 HA PHE 11 HA PHE 11 10.748 -1.757 -1.861 97 HB2 PHE 11 HB2 PHE 11 11.245 1.190 -2.132 98 HB3 PHE 11 HB3 PHE 11 12.107 0.006 -3.095 99 HD1 PHE 11 HD1 PHE 11 10.994 -1.468 -4.686 100 HD2 PHE 11 HD2 PHE 11 8.757 1.617 -2.618 101 HE1 PHE 11 HE1 PHE 11 9.138 -1.719 -6.302 102 HE2 PHE 11 HE2 PHE 11 6.920 1.322 -4.223 103 HZ PHE 11 HZ PHE 11 7.090 -0.349 -6.058 104 H ARG 12 H ARG 12 12.194 -3.021 -1.021 105 HA ARG 12 HA ARG 12 14.211 -2.475 0.865 106 HB2 ARG 12 HB2 ARG 12 14.228 -4.553 -1.376 107 HB3 ARG 12 HB3 ARG 12 15.209 -4.562 0.078 108 HG2 ARG 12 HG2 ARG 12 13.674 -5.960 0.868 109 HG3 ARG 12 HG3 ARG 12 12.755 -4.520 1.271 110 HD2 ARG 12 HD2 ARG 12 12.445 -5.949 -1.408 111 HD3 ARG 12 HD3 ARG 12 11.641 -6.547 0.042 112 HE ARG 12 HE ARG 12 10.715 -4.037 0.103 113 HH11 ARG 12 HH12 ARG 12 10.738 -6.321 -2.584 114 HH12 ARG 12 HH11 ARG 12 9.228 -5.699 -3.203 115 HH21 ARG 12 HH21 ARG 12 8.949 -3.318 -0.711 116 HH22 ARG 12 HH22 ARG 12 8.129 -4.009 -2.110 117 H SER 13 H SER 13 16.385 -2.029 0.678 118 HA SER 13 HA SER 13 18.225 -0.999 -0.009 119 HB2 SER 13 HB2 SER 13 17.584 -2.088 -2.760 120 HB3 SER 13 HB3 SER 13 19.164 -1.554 -2.161 121 HG SER 13 HG SER 13 18.916 -3.810 -1.970 122 H ASN 14 H ASN 14 15.327 0.455 -1.049 123 HA ASN 14 HA ASN 14 17.033 2.842 -1.469 124 HB2 ASN 14 HB2 ASN 14 16.064 3.642 -3.403 125 HB3 ASN 14 HB3 ASN 14 16.389 1.949 -3.726 126 HD21 ASN 14 HD21 ASN 14 14.824 1.791 -5.484 127 H GLY 15 H GLY 15 13.887 1.645 -0.326 128 HA2 GLY 15 HA2 GLY 15 13.030 2.454 1.720 129 HA3 GLY 15 HA3 GLY 15 13.910 3.969 1.530 130 H THR 16 H THR 16 12.434 3.308 -1.403 131 HA THR 16 HA THR 16 10.340 5.261 -1.276 132 HB THR 16 HB THR 16 10.592 2.844 -3.101 133 HG1 THR 16 HG1 THR 16 12.376 3.952 -3.249 134 HG21 THR 16 HG21 THR 16 9.078 5.408 -3.630 135 HG22 THR 16 HG22 THR 16 9.395 4.089 -4.790 136 HG23 THR 16 HG23 THR 16 8.368 3.787 -3.399 137 H VAL 17 H VAL 17 7.958 4.726 -1.459 138 HA VAL 17 HA VAL 17 7.149 2.505 0.311 139 HB VAL 17 HB VAL 17 6.723 5.452 0.865 140 HG11 VAL 17 HG11 VAL 17 5.028 3.173 1.974 141 HG12 VAL 17 HG12 VAL 17 5.099 4.818 2.651 142 HG13 VAL 17 HG13 VAL 17 4.459 4.570 1.032 143 HG21 VAL 17 HG21 VAL 17 8.624 4.274 1.960 144 HG22 VAL 17 HG22 VAL 17 7.400 4.742 3.147 145 HG23 VAL 17 HG23 VAL 17 7.484 3.053 2.577 146 H TYR 18 H TYR 18 5.084 1.857 0.047 147 HA TYR 18 HA TYR 18 3.206 3.112 -1.759 148 HB2 TYR 18 HB2 TYR 18 3.126 1.349 -3.379 149 HB3 TYR 18 HB3 TYR 18 4.735 2.017 -3.344 150 HD1 TYR 18 HD2 TYR 18 6.455 0.631 -1.676 151 HD2 TYR 18 HD1 TYR 18 2.969 -0.890 -3.701 152 HE1 TYR 18 HE2 TYR 18 7.490 -1.572 -1.759 153 HE2 TYR 18 HE1 TYR 18 3.979 -3.170 -3.704 154 HH TYR 18 HH TYR 18 5.836 -4.381 -3.267 155 H TYR 19 H TYR 19 1.435 0.925 -2.129 156 HA TYR 19 HA TYR 19 1.062 -0.237 0.548 157 HB2 TYR 19 HB2 TYR 19 -0.787 1.603 -0.918 158 HB3 TYR 19 HB3 TYR 19 -1.499 0.130 -0.300 159 HD1 TYR 19 HD1 TYR 19 0.820 2.847 0.903 160 HD2 TYR 19 HD2 TYR 19 -2.392 0.157 1.858 161 HE1 TYR 19 HE1 TYR 19 0.757 3.722 3.242 162 HE2 TYR 19 HE2 TYR 19 -2.576 1.126 4.110 163 HH TYR 19 HH TYR 19 -1.748 2.696 5.567 164 H PHE 20 H PHE 20 0.148 -2.222 0.518 165 HA PHE 20 HA PHE 20 -0.016 -3.644 -2.105 166 HB2 PHE 20 HB2 PHE 20 2.163 -3.858 -0.952 167 HB3 PHE 20 HB3 PHE 20 1.334 -4.450 0.490 168 HD1 PHE 20 HD2 PHE 20 0.368 -6.744 0.533 169 HD2 PHE 20 HD1 PHE 20 2.478 -5.241 -2.905 170 HE1 PHE 20 HE2 PHE 20 0.528 -9.057 -0.392 171 HE2 PHE 20 HE1 PHE 20 2.543 -7.538 -3.870 172 HZ PHE 20 HZ PHE 20 1.572 -9.440 -2.603 173 H ASN 21 H ASN 21 -1.784 -4.915 -2.295 174 HA ASN 21 HA ASN 21 -3.608 -5.098 0.025 175 HB2 ASN 21 HB2 ASN 21 -4.459 -4.267 -2.206 176 HB3 ASN 21 HB3 ASN 21 -4.126 -5.852 -2.847 177 HD21 ASN 21 HD22 ASN 21 -6.408 -3.925 -0.990 178 HD22 ASN 21 HD21 ASN 21 -7.436 -5.287 -0.578 179 H HIS 22 H HIS 22 -2.681 -6.708 1.338 180 HA HIS 22 HA HIS 22 -1.632 -9.140 0.099 181 HB2 HIS 22 HB2 HIS 22 -1.286 -9.910 2.404 182 HB3 HIS 22 HB3 HIS 22 -0.588 -8.339 2.080 183 HD2 HIS 22 HD2 HIS 22 -1.064 -6.494 3.757 184 HE1 HIS 22 HE1 HIS 22 -4.113 -8.406 6.025 185 HE2 HIS 22 HE2 HIS 22 -2.371 -6.488 5.995 186 H ILE 23 H ILE 23 -4.791 -8.268 0.340 187 HA ILE 23 HA ILE 23 -5.810 -10.994 0.917 188 HB ILE 23 HB ILE 23 -6.899 -8.192 0.749 189 HG12 ILE 23 HG12 ILE 23 -6.956 -10.474 2.776 190 HG13 ILE 23 HG13 ILE 23 -6.059 -8.964 2.885 191 HG21 ILE 23 HG21 ILE 23 -9.177 -8.896 0.894 192 HG22 ILE 23 HG22 ILE 23 -8.472 -9.426 -0.628 193 HG23 ILE 23 HG23 ILE 23 -8.708 -10.612 0.686 194 HD11 ILE 23 HD11 ILE 23 -7.883 -8.798 4.399 195 HD12 ILE 23 HD12 ILE 23 -8.326 -7.772 3.021 196 HD13 ILE 23 HD13 ILE 23 -9.050 -9.382 3.204 197 H THR 24 H THR 24 -5.194 -8.816 -1.711 198 HA THR 24 HA THR 24 -6.232 -10.823 -3.710 199 HB THR 24 HB THR 24 -6.355 -8.925 -5.291 200 HG1 THR 24 HG1 THR 24 -5.803 -7.367 -3.007 201 HG21 THR 24 HG21 THR 24 -8.372 -9.430 -3.911 202 HG22 THR 24 HG22 THR 24 -7.818 -8.257 -2.696 203 HG23 THR 24 HG23 THR 24 -8.230 -7.710 -4.332 204 H ASN 25 H ASN 25 -3.406 -9.147 -2.694 205 HA ASN 25 HA ASN 25 -1.230 -9.335 -3.114 206 HB2 ASN 25 HB2 ASN 25 -1.745 -10.815 -5.720 207 HB3 ASN 25 HB3 ASN 25 -0.206 -10.593 -4.911 208 HD21 ASN 25 HD22 ASN 25 -3.263 -12.307 -4.798 209 HD22 ASN 25 HD21 ASN 25 -2.683 -13.558 -3.674 210 H ALA 26 H ALA 26 -3.395 -7.369 -4.514 211 HA ALA 26 HA ALA 26 -1.882 -6.243 -6.683 212 HB1 ALA 26 HB1 ALA 26 -4.336 -5.946 -6.304 213 HB2 ALA 26 HB2 ALA 26 -3.967 -4.901 -4.913 214 HB3 ALA 26 HB3 ALA 26 -3.480 -4.412 -6.543 215 H SER 27 H SER 27 -0.961 -4.000 -6.749 216 HA SER 27 HA SER 27 0.016 -2.850 -4.203 217 HB2 SER 27 HB2 SER 27 2.209 -2.357 -5.306 218 HB3 SER 27 HB3 SER 27 1.963 -4.001 -4.754 219 HG SER 27 HG SER 27 1.446 -3.119 -7.418 220 H GLN 28 H GLN 28 0.063 -0.661 -4.212 221 HA GLN 28 HA GLN 28 -0.104 0.907 -6.703 222 HB2 GLN 28 HB2 GLN 28 -2.456 0.252 -6.099 223 HB3 GLN 28 HB3 GLN 28 -2.221 0.972 -4.500 224 HG2 GLN 28 HG2 GLN 28 -1.825 3.190 -5.664 225 HG3 GLN 28 HG3 GLN 28 -2.223 2.400 -7.196 226 HE21 GLN 28 HE22 GLN 28 -3.508 3.271 -3.907 227 HE22 GLN 28 HE21 GLN 28 -5.178 3.231 -4.501 228 H PHE 29 H PHE 29 0.801 3.035 -6.325 229 HA PHE 29 HA PHE 29 2.154 3.337 -3.735 230 HB2 PHE 29 HB2 PHE 29 2.212 4.958 -6.273 231 HB3 PHE 29 HB3 PHE 29 3.054 5.404 -4.802 232 HD1 PHE 29 HD2 PHE 29 3.074 1.713 -5.706 233 HD2 PHE 29 HD1 PHE 29 5.156 5.522 -5.959 234 HE1 PHE 29 HE2 PHE 29 5.018 0.607 -6.622 235 HE2 PHE 29 HE1 PHE 29 7.136 4.346 -6.834 236 HZ PHE 29 HZ PHE 29 7.072 1.897 -7.209 237 H GLU 30 H GLU 30 -0.736 4.719 -5.271 238 HA GLU 30 HA GLU 30 -1.082 6.772 -3.257 239 HB2 GLU 30 HB2 GLU 30 -2.205 6.320 -5.669 240 HB3 GLU 30 HB3 GLU 30 -3.496 5.694 -4.656 241 HG2 GLU 30 HG2 GLU 30 -2.210 8.460 -4.428 242 HG3 GLU 30 HG3 GLU 30 -3.688 8.114 -5.322 243 H ARG 31 H ARG 31 -2.356 6.718 -1.549 244 HA ARG 31 HA ARG 31 -2.189 4.174 -0.016 245 HB2 ARG 31 HB2 ARG 31 -0.921 6.250 0.588 246 HB3 ARG 31 HB3 ARG 31 -2.437 7.051 0.950 247 HG2 ARG 31 HG2 ARG 31 -2.360 4.502 2.368 248 HG3 ARG 31 HG3 ARG 31 -0.809 5.309 2.543 249 HD2 ARG 31 HD2 ARG 31 -2.306 5.805 4.404 250 HD3 ARG 31 HD3 ARG 31 -1.709 7.227 3.565 251 HE ARG 31 HE ARG 31 -4.458 6.042 3.253 252 HH11 ARG 31 HH11 ARG 31 -2.423 8.881 3.023 253 HH12 ARG 31 HH12 ARG 31 -3.749 10.006 2.945 254 HH21 ARG 31 HH21 ARG 31 -6.192 7.582 3.340 255 HH22 ARG 31 HH22 ARG 31 -5.820 9.261 3.113 256 HA PRO 32 HA PRO 32 -6.804 4.096 0.269 257 HB2 PRO 32 HB2 PRO 32 -6.037 1.603 1.742 258 HB3 PRO 32 HB3 PRO 32 -7.421 1.885 0.636 259 HG2 PRO 32 HG2 PRO 32 -5.443 0.649 -0.373 260 HG3 PRO 32 HG3 PRO 32 -5.930 1.965 -1.277 261 HD2 PRO 32 HD2 PRO 32 -3.617 2.047 0.678 262 HD3 PRO 32 HD3 PRO 32 -3.659 2.599 -1.027 263 H SER 33 H SER 33 -8.203 3.903 2.303 264 HA SER 33 HA SER 33 -7.447 3.616 4.947 265 HB2 SER 33 HB2 SER 33 -7.563 5.935 5.832 266 HB3 SER 33 HB3 SER 33 -6.117 5.727 4.841 267 HG SER 33 HG SER 33 -8.618 6.702 3.977 268 H GLY 34 H GLY 34 -9.361 2.432 4.049 269 HA2 GLY 34 HA2 GLY 34 -11.674 2.142 3.907 270 HA3 GLY 34 HA3 GLY 34 -11.921 3.807 4.505 271 H1 NAG 101 H1 NAG 35 12.014 2.020 -4.596 272 H2 NAG 101 H2 NAG 35 13.311 2.708 -7.243 273 H3 NAG 101 H3 NAG 35 10.568 1.461 -6.795 274 H4 NAG 101 H4 NAG 35 12.814 0.740 -8.750 275 H5 NAG 101 H5 NAG 35 12.540 -1.312 -6.796 276 H61 NAG 101 H61 NAG 35 14.901 -1.105 -6.426 277 H62 NAG 101 H62 NAG 35 14.567 -0.908 -8.148 278 H81 NAG 101 H2M NAG 35 12.031 6.539 -5.802 279 H82 NAG 101 H3M NAG 35 10.334 6.167 -6.188 280 H83 NAG 101 H1M NAG 35 11.357 6.996 -7.382 281 HN2 NAG 101 H2N NAG 35 11.671 4.068 -5.319 282 HO3 NAG 101 H3O NAG 35 11.295 3.315 -8.637 283 HO4 NAG 101 H4O NAG 35 10.541 0.193 -8.976 284 HO6 NAG 101 H6O NAG 35 15.978 0.715 -7.563 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -7.115 5.175 -2.107 2 H2 LYS 1 H2 LYS 1 -7.483 4.835 -0.520 3 H3 LYS 1 H3 LYS 1 -7.601 6.344 -1.106 4 HA LYS 1 HA LYS 1 -9.764 5.134 -0.787 5 HB2 LYS 1 HB2 LYS 1 -9.148 6.303 -3.522 6 HB3 LYS 1 HB3 LYS 1 -10.747 6.123 -2.805 7 HG2 LYS 1 HG2 LYS 1 -10.219 7.684 -1.029 8 HG3 LYS 1 HG3 LYS 1 -8.560 7.887 -1.596 9 HD2 LYS 1 HD2 LYS 1 -10.831 8.477 -3.512 10 HD3 LYS 1 HD3 LYS 1 -10.487 9.604 -2.212 11 HE2 LYS 1 HE2 LYS 1 -9.356 10.341 -4.200 12 HE3 LYS 1 HE3 LYS 1 -8.183 9.906 -2.954 13 HZ1 LYS 1 HZ1 LYS 1 -7.697 7.880 -4.095 14 HZ2 LYS 1 HZ2 LYS 1 -8.919 8.103 -5.187 15 HZ3 LYS 1 HZ3 LYS 1 -7.594 9.086 -5.185 16 H LEU 2 H LEU 2 -8.781 2.721 -0.777 17 HA LEU 2 HA LEU 2 -10.129 1.299 -2.846 18 HB2 LEU 2 HB2 LEU 2 -7.408 0.161 -2.329 19 HB3 LEU 2 HB3 LEU 2 -8.519 -0.296 -3.425 20 HG LEU 2 HG LEU 2 -6.768 0.400 -4.636 21 HD11 LEU 2 HD11 LEU 2 -8.102 1.482 -6.347 22 HD12 LEU 2 HD12 LEU 2 -9.023 0.238 -5.487 23 HD13 LEU 2 HD13 LEU 2 -9.311 1.953 -5.133 24 HD21 LEU 2 HD21 LEU 2 -6.430 2.769 -5.283 25 HD22 LEU 2 HD22 LEU 2 -7.253 3.261 -3.804 26 HD23 LEU 2 HD23 LEU 2 -5.744 2.322 -3.738 27 HA PRO 3 HA PRO 3 -11.705 -1.231 0.261 28 HB2 PRO 3 HB2 PRO 3 -10.248 -3.565 -1.011 29 HB3 PRO 3 HB3 PRO 3 -11.984 -3.522 -0.501 30 HG2 PRO 3 HG2 PRO 3 -11.409 -3.218 -3.073 31 HG3 PRO 3 HG3 PRO 3 -12.455 -1.946 -2.326 32 HD2 PRO 3 HD2 PRO 3 -9.409 -1.924 -2.620 33 HD3 PRO 3 HD3 PRO 3 -10.555 -0.690 -3.196 34 HA PRO 4 HA PRO 4 -9.336 -3.029 3.707 35 HB2 PRO 4 HB2 PRO 4 -11.490 -5.155 3.617 36 HB3 PRO 4 HB3 PRO 4 -10.842 -4.274 5.037 37 HG2 PRO 4 HG2 PRO 4 -13.236 -3.577 3.977 38 HG3 PRO 4 HG3 PRO 4 -12.068 -2.304 4.462 39 HD2 PRO 4 HD2 PRO 4 -12.621 -3.395 1.698 40 HD3 PRO 4 HD3 PRO 4 -12.412 -1.696 2.228 41 H GLY 5 H GLY 5 -7.708 -4.643 3.753 42 HA2 GLY 5 HA2 GLY 5 -6.803 -6.836 2.866 43 HA3 GLY 5 HA3 GLY 5 -7.569 -6.422 1.347 44 H TRP 6 H TRP 6 -6.962 -3.477 1.262 45 HA TRP 6 HA TRP 6 -4.143 -3.594 0.553 46 HB2 TRP 6 HB2 TRP 6 -6.181 -1.404 0.816 47 HB3 TRP 6 HB3 TRP 6 -4.555 -1.158 0.233 48 HD1 TRP 6 HD1 TRP 6 -7.899 -2.102 -1.108 49 HE1 TRP 6 HE1 TRP 6 -7.701 -2.230 -3.586 50 HE3 TRP 6 HE3 TRP 6 -2.856 -1.993 -1.482 51 HZ2 TRP 6 HZ2 TRP 6 -5.594 -2.772 -5.575 52 HZ3 TRP 6 HZ3 TRP 6 -1.782 -2.162 -3.646 53 HH2 TRP 6 HH2 TRP 6 -3.102 -2.679 -5.725 54 H GLU 7 H GLU 7 -2.429 -2.902 1.613 55 HA GLU 7 HA GLU 7 -2.648 -1.579 4.285 56 HB2 GLU 7 HB2 GLU 7 -2.672 -4.085 4.411 57 HB3 GLU 7 HB3 GLU 7 -1.116 -4.107 3.574 58 HG2 GLU 7 HG2 GLU 7 -0.102 -2.855 5.486 59 HG3 GLU 7 HG3 GLU 7 -1.676 -2.868 6.304 60 H LYS 8 H LYS 8 -0.789 -0.301 4.847 61 HA LYS 8 HA LYS 8 0.754 0.714 2.688 62 HB2 LYS 8 HB2 LYS 8 0.170 1.895 4.843 63 HB3 LYS 8 HB3 LYS 8 1.454 0.988 5.639 64 HG2 LYS 8 HG2 LYS 8 3.108 1.985 4.083 65 HG3 LYS 8 HG3 LYS 8 1.836 2.813 3.204 66 HD2 LYS 8 HD2 LYS 8 2.195 3.347 6.178 67 HD3 LYS 8 HD3 LYS 8 3.300 4.041 5.002 68 HE2 LYS 8 HE2 LYS 8 1.769 5.742 5.266 69 HE3 LYS 8 HE3 LYS 8 1.287 4.979 3.754 70 HZ1 LYS 8 HZ1 LYS 8 -0.640 5.435 5.080 71 HZ2 LYS 8 HZ2 LYS 8 -0.500 3.831 5.032 72 HZ3 LYS 8 HZ3 LYS 8 -0.030 4.641 6.395 73 H ARG 9 H ARG 9 2.870 0.540 2.109 74 HA ARG 9 HA ARG 9 4.480 -1.718 3.168 75 HB2 ARG 9 HB2 ARG 9 2.661 -2.391 1.384 76 HB3 ARG 9 HB3 ARG 9 3.664 -1.532 0.233 77 HG2 ARG 9 HG2 ARG 9 4.158 -3.863 0.081 78 HG3 ARG 9 HG3 ARG 9 5.549 -3.096 0.813 79 HD2 ARG 9 HD2 ARG 9 5.261 -5.052 2.060 80 HD3 ARG 9 HD3 ARG 9 4.620 -3.808 3.111 81 HE ARG 9 HE ARG 9 3.058 -5.821 1.545 82 HH11 ARG 9 HH11 ARG 9 2.584 -3.328 4.157 83 HH12 ARG 9 HH12 ARG 9 1.562 -4.516 4.957 84 HH21 ARG 9 HH21 ARG 9 1.528 -7.000 2.836 85 HH22 ARG 9 HH22 ARG 9 0.946 -6.134 4.280 86 H MET 10 H MET 10 6.709 -1.763 2.268 87 HA MET 10 HA MET 10 7.588 0.866 1.212 88 HB2 MET 10 HB2 MET 10 7.701 0.724 3.754 89 HB3 MET 10 HB3 MET 10 8.907 -0.555 3.547 90 HG2 MET 10 HG2 MET 10 10.237 1.109 2.135 91 HG3 MET 10 HG3 MET 10 9.091 2.340 2.618 92 HE1 MET 10 HE1 MET 10 8.477 2.082 5.599 93 HE2 MET 10 HE2 MET 10 9.822 2.988 6.326 94 HE3 MET 10 HE3 MET 10 9.065 3.579 4.831 95 H PHE 11 H PHE 11 9.375 0.841 -0.079 96 HA PHE 11 HA PHE 11 10.109 -1.738 -1.214 97 HB2 PHE 11 HB2 PHE 11 10.541 1.146 -1.941 98 HB3 PHE 11 HB3 PHE 11 11.287 -0.170 -2.845 99 HD1 PHE 11 HD2 PHE 11 9.659 -2.136 -3.570 100 HD2 PHE 11 HD1 PHE 11 8.351 1.871 -2.598 101 HE1 PHE 11 HE2 PHE 11 7.678 -2.416 -5.041 102 HE2 PHE 11 HE1 PHE 11 6.493 1.638 -4.209 103 HZ PHE 11 HZ PHE 11 6.126 -0.522 -5.384 104 H ARG 12 H ARG 12 11.613 -2.879 -0.456 105 HA ARG 12 HA ARG 12 13.900 -2.476 1.004 106 HB2 ARG 12 HB2 ARG 12 13.213 -4.635 0.565 107 HB3 ARG 12 HB3 ARG 12 13.004 -4.390 -1.148 108 HG2 ARG 12 HG2 ARG 12 15.769 -4.448 0.109 109 HG3 ARG 12 HG3 ARG 12 14.899 -5.920 -0.297 110 HD2 ARG 12 HD2 ARG 12 15.767 -3.794 -2.299 111 HD3 ARG 12 HD3 ARG 12 16.483 -5.361 -2.041 112 HE ARG 12 HE ARG 12 14.647 -6.435 -3.048 113 HH11 ARG 12 HH21 ARG 12 14.101 -2.917 -3.213 114 HH12 ARG 12 HH22 ARG 12 13.031 -3.086 -4.584 115 HH21 ARG 12 HH12 ARG 12 13.226 -6.528 -4.780 116 HH22 ARG 12 HH11 ARG 12 12.554 -5.042 -5.391 117 H SER 13 H SER 13 15.868 -1.656 0.749 118 HA SER 13 HA SER 13 17.648 -0.596 0.004 119 HB2 SER 13 HB2 SER 13 17.105 -1.862 -2.689 120 HB3 SER 13 HB3 SER 13 18.641 -1.202 -2.101 121 HG SER 13 HG SER 13 18.762 -3.321 -1.651 122 H ASN 14 H ASN 14 14.719 0.673 -1.059 123 HA ASN 14 HA ASN 14 16.299 3.105 -1.691 124 HB2 ASN 14 HB2 ASN 14 15.103 3.775 -3.562 125 HB3 ASN 14 HB3 ASN 14 15.533 2.096 -3.852 126 HD21 ASN 14 HD21 ASN 14 13.848 2.501 -5.539 127 H GLY 15 H GLY 15 13.455 1.772 -0.094 128 HA2 GLY 15 HA2 GLY 15 12.561 2.688 1.839 129 HA3 GLY 15 HA3 GLY 15 13.484 4.177 1.593 130 H THR 16 H THR 16 11.790 3.288 -1.255 131 HA THR 16 HA THR 16 9.814 5.431 -1.023 132 HB THR 16 HB THR 16 10.116 3.098 -2.947 133 HG1 THR 16 HG1 THR 16 11.641 4.924 -2.706 134 HG21 THR 16 HG21 THR 16 8.300 5.530 -3.227 135 HG22 THR 16 HG22 THR 16 8.655 4.340 -4.499 136 HG23 THR 16 HG23 THR 16 7.761 3.841 -3.075 137 H VAL 17 H VAL 17 7.422 4.869 -1.225 138 HA VAL 17 HA VAL 17 6.609 2.699 0.585 139 HB VAL 17 HB VAL 17 6.209 5.645 1.138 140 HG11 VAL 17 HG11 VAL 17 3.926 4.764 1.272 141 HG12 VAL 17 HG12 VAL 17 4.486 3.401 2.274 142 HG13 VAL 17 HG13 VAL 17 4.555 5.066 2.889 143 HG21 VAL 17 HG21 VAL 17 6.901 3.253 2.903 144 HG22 VAL 17 HG22 VAL 17 8.084 4.420 2.251 145 HG23 VAL 17 HG23 VAL 17 6.868 4.955 3.419 146 H TYR 18 H TYR 18 4.521 2.079 0.298 147 HA TYR 18 HA TYR 18 2.761 3.203 -1.736 148 HB2 TYR 18 HB2 TYR 18 2.984 1.499 -3.350 149 HB3 TYR 18 HB3 TYR 18 4.571 2.118 -3.069 150 HD1 TYR 18 HD1 TYR 18 5.979 0.699 -1.177 151 HD2 TYR 18 HD2 TYR 18 2.773 -0.759 -3.667 152 HE1 TYR 18 HE1 TYR 18 6.904 -1.577 -1.003 153 HE2 TYR 18 HE2 TYR 18 3.705 -3.087 -3.448 154 HH TYR 18 HH TYR 18 6.741 -3.739 -1.731 155 H TYR 19 H TYR 19 1.199 0.881 -2.227 156 HA TYR 19 HA TYR 19 0.576 -0.221 0.427 157 HB2 TYR 19 HB2 TYR 19 -1.180 1.424 -1.341 158 HB3 TYR 19 HB3 TYR 19 -1.882 -0.056 -0.736 159 HD1 TYR 19 HD1 TYR 19 0.026 2.926 0.524 160 HD2 TYR 19 HD2 TYR 19 -2.957 -0.070 1.326 161 HE1 TYR 19 HE1 TYR 19 -0.402 3.920 2.761 162 HE2 TYR 19 HE2 TYR 19 -3.468 0.990 3.510 163 HH TYR 19 HH TYR 19 -3.126 3.031 4.736 164 H PHE 20 H PHE 20 -0.301 -2.221 0.386 165 HA PHE 20 HA PHE 20 -0.123 -3.787 -2.146 166 HB2 PHE 20 HB2 PHE 20 1.943 -3.792 -0.812 167 HB3 PHE 20 HB3 PHE 20 1.063 -4.372 0.595 168 HD1 PHE 20 HD2 PHE 20 0.208 -6.710 0.677 169 HD2 PHE 20 HD1 PHE 20 2.505 -5.267 -2.669 170 HE1 PHE 20 HE2 PHE 20 0.624 -9.061 -0.066 171 HE2 PHE 20 HE1 PHE 20 2.838 -7.606 -3.448 172 HZ PHE 20 HZ PHE 20 1.905 -9.497 -2.136 173 H ASN 21 H ASN 21 -1.785 -5.109 -2.438 174 HA ASN 21 HA ASN 21 -3.806 -5.382 -0.293 175 HB2 ASN 21 HB2 ASN 21 -4.455 -4.768 -2.667 176 HB3 ASN 21 HB3 ASN 21 -3.917 -6.351 -3.150 177 HD21 ASN 21 HD22 ASN 21 -6.548 -4.522 -1.721 178 HD22 ASN 21 HD21 ASN 21 -7.516 -5.943 -1.366 179 H HIS 22 H HIS 22 -2.917 -6.857 1.218 180 HA HIS 22 HA HIS 22 -1.579 -9.261 0.197 181 HB2 HIS 22 HB2 HIS 22 -1.371 -9.908 2.557 182 HB3 HIS 22 HB3 HIS 22 -0.714 -8.333 2.183 183 HD2 HIS 22 HD2 HIS 22 -1.376 -6.392 3.672 184 HE1 HIS 22 HE1 HIS 22 -4.322 -8.362 6.019 185 HE2 HIS 22 HE2 HIS 22 -2.701 -6.348 5.897 186 H ILE 23 H ILE 23 -4.787 -8.610 0.098 187 HA ILE 23 HA ILE 23 -5.660 -11.375 0.716 188 HB ILE 23 HB ILE 23 -6.956 -8.709 0.156 189 HG12 ILE 23 HG12 ILE 23 -7.101 -10.809 2.364 190 HG13 ILE 23 HG13 ILE 23 -6.363 -9.213 2.447 191 HG21 ILE 23 HG21 ILE 23 -8.184 -10.221 -1.304 192 HG22 ILE 23 HG22 ILE 23 -8.481 -11.319 0.070 193 HG23 ILE 23 HG23 ILE 23 -9.157 -9.662 0.052 194 HD11 ILE 23 HD11 ILE 23 -9.320 -9.901 2.394 195 HD12 ILE 23 HD12 ILE 23 -8.396 -9.082 3.662 196 HD13 ILE 23 HD13 ILE 23 -8.728 -8.249 2.128 197 H THR 24 H THR 24 -4.863 -9.312 -1.972 198 HA THR 24 HA THR 24 -5.463 -11.520 -3.934 199 HB THR 24 HB THR 24 -5.576 -9.734 -5.641 200 HG1 THR 24 HG1 THR 24 -5.459 -8.006 -3.413 201 HG21 THR 24 HG21 THR 24 -7.658 -8.675 -4.989 202 HG22 THR 24 HG22 THR 24 -7.685 -10.369 -4.450 203 HG23 THR 24 HG23 THR 24 -7.389 -9.060 -3.280 204 H ASN 25 H ASN 25 -2.946 -9.502 -2.748 205 HA ASN 25 HA ASN 25 -0.723 -9.466 -2.932 206 HB2 ASN 25 HB2 ASN 25 -0.806 -11.177 -5.443 207 HB3 ASN 25 HB3 ASN 25 0.617 -10.693 -4.538 208 HD21 ASN 25 HD22 ASN 25 -2.210 -12.763 -4.502 209 HD22 ASN 25 HD21 ASN 25 -1.605 -13.814 -3.202 210 H ALA 26 H ALA 26 -2.919 -7.864 -4.680 211 HA ALA 26 HA ALA 26 -1.347 -6.661 -6.752 212 HB1 ALA 26 HB1 ALA 26 -3.705 -5.481 -5.232 213 HB2 ALA 26 HB2 ALA 26 -3.139 -5.022 -6.846 214 HB3 ALA 26 HB3 ALA 26 -3.846 -6.627 -6.586 215 H SER 27 H SER 27 -0.729 -4.294 -6.850 216 HA SER 27 HA SER 27 0.041 -3.014 -4.292 217 HB2 SER 27 HB2 SER 27 2.190 -2.313 -5.352 218 HB3 SER 27 HB3 SER 27 2.081 -3.972 -4.767 219 HG SER 27 HG SER 27 1.845 -4.673 -6.878 220 H GLN 28 H GLN 28 -0.008 -0.800 -4.354 221 HA GLN 28 HA GLN 28 -0.257 0.711 -6.856 222 HB2 GLN 28 HB2 GLN 28 -2.399 0.685 -4.665 223 HB3 GLN 28 HB3 GLN 28 -2.157 2.074 -5.714 224 HG2 GLN 28 HG2 GLN 28 -2.971 -0.691 -6.658 225 HG3 GLN 28 HG3 GLN 28 -4.014 0.714 -6.502 226 HE21 GLN 28 HE22 GLN 28 -1.439 -0.808 -8.419 227 HE22 GLN 28 HE21 GLN 28 -1.625 0.330 -9.770 228 H PHE 29 H PHE 29 0.366 2.968 -6.500 229 HA PHE 29 HA PHE 29 1.835 3.358 -3.949 230 HB2 PHE 29 HB2 PHE 29 1.850 4.871 -6.550 231 HB3 PHE 29 HB3 PHE 29 2.626 5.440 -5.083 232 HD1 PHE 29 HD2 PHE 29 2.857 1.716 -5.807 233 HD2 PHE 29 HD1 PHE 29 4.762 5.605 -6.180 234 HE1 PHE 29 HE2 PHE 29 4.850 0.672 -6.682 235 HE2 PHE 29 HE1 PHE 29 6.829 4.480 -6.934 236 HZ PHE 29 HZ PHE 29 6.876 2.015 -7.217 237 H GLU 30 H GLU 30 -1.251 4.221 -5.321 238 HA GLU 30 HA GLU 30 -1.712 6.502 -3.583 239 HB2 GLU 30 HB2 GLU 30 -2.975 5.979 -5.689 240 HB3 GLU 30 HB3 GLU 30 -3.785 4.668 -4.843 241 HG2 GLU 30 HG2 GLU 30 -3.822 7.411 -3.570 242 HG3 GLU 30 HG3 GLU 30 -4.690 7.237 -5.083 243 H ARG 31 H ARG 31 -2.955 6.453 -1.674 244 HA ARG 31 HA ARG 31 -2.523 4.055 0.014 245 HB2 ARG 31 HB2 ARG 31 -3.183 6.951 0.660 246 HB3 ARG 31 HB3 ARG 31 -2.979 5.679 1.869 247 HG2 ARG 31 HG2 ARG 31 -0.708 5.669 1.704 248 HG3 ARG 31 HG3 ARG 31 -0.683 5.937 -0.027 249 HD2 ARG 31 HD2 ARG 31 0.342 7.756 1.224 250 HD3 ARG 31 HD3 ARG 31 -1.063 8.300 0.285 251 HE ARG 31 HE ARG 31 -1.733 7.621 3.067 252 HH11 ARG 31 HH21 ARG 31 -0.296 10.211 1.187 253 HH12 ARG 31 HH22 ARG 31 -0.949 11.459 2.225 254 HH21 ARG 31 HH11 ARG 31 -2.726 9.168 4.125 255 HH22 ARG 31 HH12 ARG 31 -2.295 10.878 3.980 256 HA PRO 32 HA PRO 32 -6.990 3.073 -0.573 257 HB2 PRO 32 HB2 PRO 32 -5.645 0.947 1.089 258 HB3 PRO 32 HB3 PRO 32 -7.229 0.824 0.238 259 HG2 PRO 32 HG2 PRO 32 -5.391 0.196 -1.386 260 HG3 PRO 32 HG3 PRO 32 -6.187 1.627 -1.822 261 HD2 PRO 32 HD2 PRO 32 -3.570 1.778 -0.407 262 HD3 PRO 32 HD3 PRO 32 -4.155 2.588 -1.893 263 H SER 33 H SER 33 -5.508 2.704 2.634 264 HA SER 33 HA SER 33 -7.103 4.907 3.700 265 HB2 SER 33 HB2 SER 33 -8.559 2.940 4.105 266 HB3 SER 33 HB3 SER 33 -7.227 2.146 4.982 267 HG SER 33 HG SER 33 -8.655 3.310 6.376 268 H GLY 34 H GLY 34 -5.652 6.128 4.738 269 HA2 GLY 34 HA2 GLY 34 -4.031 6.380 6.570 270 HA3 GLY 34 HA3 GLY 34 -3.180 4.958 5.956 271 H1 NAG 101 H1 NAG 35 11.114 1.924 -4.499 272 H2 NAG 101 H2 NAG 35 12.024 2.817 -7.291 273 H3 NAG 101 H3 NAG 35 9.217 2.133 -6.292 274 H4 NAG 101 H4 NAG 35 11.013 0.665 -8.297 275 H5 NAG 101 H5 NAG 35 10.074 -0.095 -5.512 276 H61 NAG 101 H61 NAG 35 10.303 -2.224 -6.550 277 H62 NAG 101 H62 NAG 35 11.640 -1.662 -7.581 278 H81 NAG 101 H2M NAG 35 11.574 6.772 -5.615 279 H82 NAG 101 H3M NAG 35 9.803 6.600 -5.633 280 H83 NAG 101 H1M NAG 35 10.641 7.330 -7.020 281 HN2 NAG 101 H2N NAG 35 11.008 4.341 -5.051 282 HO3 NAG 101 H3O NAG 35 9.936 3.697 -8.293 283 HO4 NAG 101 H4O NAG 35 8.660 0.796 -8.486 284 HO6 NAG 101 H6O NAG 35 12.526 -1.082 -5.369 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -8.048 6.658 0.271 2 H2 LYS 1 H2 LYS 1 -7.216 5.284 -0.014 3 H3 LYS 1 H3 LYS 1 -8.540 5.294 1.005 4 HA LYS 1 HA LYS 1 -10.043 5.829 -0.700 5 HB2 LYS 1 HB2 LYS 1 -7.548 5.969 -2.364 6 HB3 LYS 1 HB3 LYS 1 -9.099 5.571 -3.137 7 HG2 LYS 1 HG2 LYS 1 -10.125 7.589 -2.521 8 HG3 LYS 1 HG3 LYS 1 -9.030 7.868 -1.195 9 HD2 LYS 1 HD2 LYS 1 -7.227 8.071 -3.225 10 HD3 LYS 1 HD3 LYS 1 -8.699 8.514 -4.095 11 HE2 LYS 1 HE2 LYS 1 -7.769 10.545 -3.239 12 HE3 LYS 1 HE3 LYS 1 -9.178 10.188 -2.222 13 HZ1 LYS 1 HZ1 LYS 1 -6.361 9.524 -1.565 14 HZ2 LYS 1 HZ2 LYS 1 -7.185 10.801 -0.911 15 HZ3 LYS 1 HZ3 LYS 1 -7.614 9.244 -0.549 16 H LEU 2 H LEU 2 -7.502 3.312 -1.555 17 HA LEU 2 HA LEU 2 -9.569 1.565 -2.275 18 HB2 LEU 2 HB2 LEU 2 -6.937 0.328 -1.684 19 HB3 LEU 2 HB3 LEU 2 -8.064 -0.030 -2.838 20 HG LEU 2 HG LEU 2 -6.157 0.663 -3.943 21 HD11 LEU 2 HD11 LEU 2 -7.387 1.950 -5.604 22 HD12 LEU 2 HD12 LEU 2 -8.404 0.704 -4.854 23 HD13 LEU 2 HD13 LEU 2 -8.597 2.405 -4.373 24 HD21 LEU 2 HD21 LEU 2 -6.607 3.554 -3.101 25 HD22 LEU 2 HD22 LEU 2 -5.186 2.534 -2.709 26 HD23 LEU 2 HD23 LEU 2 -5.554 2.962 -4.363 27 HA PRO 3 HA PRO 3 -11.118 -0.641 1.123 28 HB2 PRO 3 HB2 PRO 3 -10.174 -3.173 -0.242 29 HB3 PRO 3 HB3 PRO 3 -11.841 -2.799 0.318 30 HG2 PRO 3 HG2 PRO 3 -11.282 -2.672 -2.267 31 HG3 PRO 3 HG3 PRO 3 -12.119 -1.249 -1.528 32 HD2 PRO 3 HD2 PRO 3 -9.108 -1.644 -1.914 33 HD3 PRO 3 HD3 PRO 3 -10.145 -0.317 -2.498 34 HA PRO 4 HA PRO 4 -8.781 -3.003 4.257 35 HB2 PRO 4 HB2 PRO 4 -11.160 -4.871 4.137 36 HB3 PRO 4 HB3 PRO 4 -10.326 -4.207 5.581 37 HG2 PRO 4 HG2 PRO 4 -12.677 -3.141 4.774 38 HG3 PRO 4 HG3 PRO 4 -11.330 -2.055 5.255 39 HD2 PRO 4 HD2 PRO 4 -12.206 -2.856 2.477 40 HD3 PRO 4 HD3 PRO 4 -11.767 -1.235 3.098 41 H GLY 5 H GLY 5 -7.335 -4.742 4.099 42 HA2 GLY 5 HA2 GLY 5 -6.668 -6.932 3.041 43 HA3 GLY 5 HA3 GLY 5 -7.466 -6.362 1.581 44 H TRP 6 H TRP 6 -6.561 -3.460 1.746 45 HA TRP 6 HA TRP 6 -3.792 -3.782 0.873 46 HB2 TRP 6 HB2 TRP 6 -5.592 -1.474 1.444 47 HB3 TRP 6 HB3 TRP 6 -3.973 -1.328 0.806 48 HD1 TRP 6 HD1 TRP 6 -7.489 -1.906 -0.490 49 HE1 TRP 6 HE1 TRP 6 -7.441 -1.981 -2.924 50 HE3 TRP 6 HE3 TRP 6 -2.478 -2.022 -1.088 51 HZ2 TRP 6 HZ2 TRP 6 -5.455 -2.233 -5.081 52 HZ3 TRP 6 HZ3 TRP 6 -1.531 -1.970 -3.298 53 HH2 TRP 6 HH2 TRP 6 -2.974 -2.122 -5.368 54 H GLU 7 H GLU 7 -1.927 -3.255 1.957 55 HA GLU 7 HA GLU 7 -2.072 -1.786 4.505 56 HB2 GLU 7 HB2 GLU 7 -1.426 -3.350 5.875 57 HB3 GLU 7 HB3 GLU 7 -1.853 -4.520 4.666 58 HG2 GLU 7 HG2 GLU 7 0.929 -3.425 5.271 59 HG3 GLU 7 HG3 GLU 7 0.295 -4.982 5.725 60 H LYS 8 H LYS 8 0.170 -1.012 5.225 61 HA LYS 8 HA LYS 8 1.352 0.300 2.930 62 HB2 LYS 8 HB2 LYS 8 0.964 1.363 5.111 63 HB3 LYS 8 HB3 LYS 8 2.211 0.374 5.858 64 HG2 LYS 8 HG2 LYS 8 3.161 1.793 3.432 65 HG3 LYS 8 HG3 LYS 8 2.437 2.895 4.582 66 HD2 LYS 8 HD2 LYS 8 4.765 2.862 5.023 67 HD3 LYS 8 HD3 LYS 8 3.963 2.040 6.367 68 HE2 LYS 8 HE2 LYS 8 4.571 -0.156 5.386 69 HE3 LYS 8 HE3 LYS 8 5.314 0.662 4.000 70 HZ1 LYS 8 HZ1 LYS 8 6.951 0.022 5.676 71 HZ2 LYS 8 HZ2 LYS 8 6.911 1.659 5.520 72 HZ3 LYS 8 HZ3 LYS 8 6.200 0.934 6.814 73 H ARG 9 H ARG 9 3.183 -0.042 1.942 74 HA ARG 9 HA ARG 9 4.916 -2.331 2.763 75 HB2 ARG 9 HB2 ARG 9 3.080 -2.846 1.029 76 HB3 ARG 9 HB3 ARG 9 3.955 -1.805 -0.079 77 HG2 ARG 9 HG2 ARG 9 4.493 -4.125 -0.519 78 HG3 ARG 9 HG3 ARG 9 5.927 -3.317 0.082 79 HD2 ARG 9 HD2 ARG 9 5.838 -5.477 1.090 80 HD3 ARG 9 HD3 ARG 9 5.514 -4.310 2.351 81 HE ARG 9 HE ARG 9 3.131 -4.901 2.311 82 HH11 ARG 9 HH21 ARG 9 5.008 -7.072 0.293 83 HH12 ARG 9 HH22 ARG 9 3.843 -8.361 0.468 84 HH21 ARG 9 HH12 ARG 9 1.697 -6.560 2.503 85 HH22 ARG 9 HH11 ARG 9 2.058 -8.089 1.747 86 H MET 10 H MET 10 7.118 -2.290 1.749 87 HA MET 10 HA MET 10 7.996 0.464 1.085 88 HB2 MET 10 HB2 MET 10 8.066 -0.138 3.591 89 HB3 MET 10 HB3 MET 10 9.387 -1.233 3.172 90 HG2 MET 10 HG2 MET 10 10.658 0.712 2.271 91 HG3 MET 10 HG3 MET 10 9.317 1.771 2.623 92 HE1 MET 10 HE1 MET 10 10.583 3.469 4.031 93 HE2 MET 10 HE2 MET 10 11.654 3.063 5.392 94 HE3 MET 10 HE3 MET 10 12.107 2.600 3.740 95 H PHE 11 H PHE 11 9.757 0.636 -0.242 96 HA PHE 11 HA PHE 11 10.533 -1.790 -1.674 97 HB2 PHE 11 HB2 PHE 11 10.950 1.166 -2.061 98 HB3 PHE 11 HB3 PHE 11 11.687 -0.041 -3.114 99 HD1 PHE 11 HD1 PHE 11 10.064 -1.864 -4.113 100 HD2 PHE 11 HD2 PHE 11 8.763 1.965 -2.582 101 HE1 PHE 11 HE1 PHE 11 8.053 -1.949 -5.573 102 HE2 PHE 11 HE2 PHE 11 6.869 1.944 -4.169 103 HZ PHE 11 HZ PHE 11 6.493 -0.031 -5.630 104 H ARG 12 H ARG 12 12.034 -3.004 -0.796 105 HA ARG 12 HA ARG 12 14.327 -2.413 0.652 106 HB2 ARG 12 HB2 ARG 12 15.283 -4.490 -0.366 107 HB3 ARG 12 HB3 ARG 12 13.650 -4.663 0.252 108 HG2 ARG 12 HG2 ARG 12 13.543 -5.865 -1.713 109 HG3 ARG 12 HG3 ARG 12 12.834 -4.337 -2.183 110 HD2 ARG 12 HD2 ARG 12 15.373 -3.826 -2.977 111 HD3 ARG 12 HD3 ARG 12 15.483 -5.569 -2.933 112 HE ARG 12 HE ARG 12 14.149 -5.695 -4.828 113 HH11 ARG 12 HH11 ARG 12 13.898 -2.322 -3.648 114 HH12 ARG 12 HH12 ARG 12 12.924 -1.920 -5.066 115 HH21 ARG 12 HH21 ARG 12 12.980 -4.849 -6.652 116 HH22 ARG 12 HH22 ARG 12 12.577 -3.136 -6.601 117 H SER 13 H SER 13 16.497 -1.955 0.159 118 HA SER 13 HA SER 13 18.203 -0.885 -0.784 119 HB2 SER 13 HB2 SER 13 17.107 -1.682 -3.488 120 HB3 SER 13 HB3 SER 13 18.783 -1.313 -3.049 121 HG SER 13 HG SER 13 18.564 -3.516 -3.031 122 H ASN 14 H ASN 14 15.110 0.564 -1.416 123 HA ASN 14 HA ASN 14 16.701 3.049 -1.756 124 HB2 ASN 14 HB2 ASN 14 15.460 3.977 -3.485 125 HB3 ASN 14 HB3 ASN 14 15.863 2.351 -4.013 126 HD21 ASN 14 HD21 ASN 14 14.135 3.044 -5.580 127 H GLY 15 H GLY 15 13.913 1.538 -0.279 128 HA2 GLY 15 HA2 GLY 15 13.021 2.116 1.737 129 HA3 GLY 15 HA3 GLY 15 13.942 3.619 1.781 130 H THR 16 H THR 16 12.199 3.188 -1.165 131 HA THR 16 HA THR 16 10.263 5.298 -0.580 132 HB THR 16 HB THR 16 10.524 3.265 -2.822 133 HG1 THR 16 HG1 THR 16 12.032 5.060 -2.304 134 HG21 THR 16 HG21 THR 16 8.675 5.687 -2.715 135 HG22 THR 16 HG22 THR 16 9.050 4.737 -4.166 136 HG23 THR 16 HG23 THR 16 8.169 3.984 -2.848 137 H VAL 17 H VAL 17 7.854 4.775 -0.872 138 HA VAL 17 HA VAL 17 7.063 2.389 0.667 139 HB VAL 17 HB VAL 17 6.632 5.256 1.501 140 HG11 VAL 17 HG11 VAL 17 4.775 2.974 2.271 141 HG12 VAL 17 HG12 VAL 17 4.852 4.560 3.073 142 HG13 VAL 17 HG13 VAL 17 4.323 4.457 1.398 143 HG21 VAL 17 HG21 VAL 17 7.143 2.661 3.021 144 HG22 VAL 17 HG22 VAL 17 8.393 3.857 2.576 145 HG23 VAL 17 HG23 VAL 17 7.124 4.298 3.726 146 H TYR 18 H TYR 18 4.995 1.768 0.294 147 HA TYR 18 HA TYR 18 3.161 3.101 -1.501 148 HB2 TYR 18 HB2 TYR 18 3.161 1.489 -3.244 149 HB3 TYR 18 HB3 TYR 18 4.774 2.120 -3.103 150 HD1 TYR 18 HD1 TYR 18 6.383 0.597 -1.451 151 HD2 TYR 18 HD2 TYR 18 2.947 -0.741 -3.701 152 HE1 TYR 18 HE1 TYR 18 7.358 -1.658 -1.568 153 HE2 TYR 18 HE2 TYR 18 3.937 -3.055 -3.770 154 HH TYR 18 HH TYR 18 7.158 -3.758 -2.453 155 H TYR 19 H TYR 19 1.567 0.744 -2.043 156 HA TYR 19 HA TYR 19 1.106 -0.446 0.604 157 HB2 TYR 19 HB2 TYR 19 -0.763 1.303 -0.993 158 HB3 TYR 19 HB3 TYR 19 -1.423 -0.109 -0.202 159 HD1 TYR 19 HD1 TYR 19 0.618 2.983 0.569 160 HD2 TYR 19 HD2 TYR 19 -2.034 -0.086 2.033 161 HE1 TYR 19 HE1 TYR 19 0.500 4.128 2.752 162 HE2 TYR 19 HE2 TYR 19 -2.260 1.130 4.182 163 HH TYR 19 HH TYR 19 -0.472 4.162 4.836 164 H PHE 20 H PHE 20 0.102 -2.437 0.506 165 HA PHE 20 HA PHE 20 0.031 -3.799 -2.150 166 HB2 PHE 20 HB2 PHE 20 2.153 -4.124 -0.942 167 HB3 PHE 20 HB3 PHE 20 1.285 -4.757 0.447 168 HD1 PHE 20 HD1 PHE 20 0.158 -7.001 0.339 169 HD2 PHE 20 HD2 PHE 20 2.508 -5.466 -2.942 170 HE1 PHE 20 HE1 PHE 20 0.348 -9.294 -0.630 171 HE2 PHE 20 HE2 PHE 20 2.583 -7.744 -3.942 172 HZ PHE 20 HZ PHE 20 1.490 -9.658 -2.749 173 H ASN 21 H ASN 21 -1.698 -5.098 -2.423 174 HA ASN 21 HA ASN 21 -3.614 -5.409 -0.190 175 HB2 ASN 21 HB2 ASN 21 -4.312 -4.690 -2.535 176 HB3 ASN 21 HB3 ASN 21 -3.982 -6.339 -3.027 177 HD21 ASN 21 HD22 ASN 21 -6.427 -4.281 -1.742 178 HD22 ASN 21 HD21 ASN 21 -7.432 -5.593 -1.139 179 H HIS 22 H HIS 22 -2.874 -6.937 1.242 180 HA HIS 22 HA HIS 22 -1.512 -9.336 0.255 181 HB2 HIS 22 HB2 HIS 22 -1.410 -9.978 2.601 182 HB3 HIS 22 HB3 HIS 22 -0.861 -8.330 2.367 183 HD2 HIS 22 HD2 HIS 22 -1.942 -6.495 3.771 184 HE1 HIS 22 HE1 HIS 22 -5.281 -8.641 5.334 185 HE2 HIS 22 HE2 HIS 22 -3.991 -6.424 5.426 186 H ILE 23 H ILE 23 -4.790 -8.526 0.378 187 HA ILE 23 HA ILE 23 -5.721 -11.314 0.632 188 HB ILE 23 HB ILE 23 -7.053 -8.610 0.362 189 HG12 ILE 23 HG12 ILE 23 -7.111 -10.840 2.431 190 HG13 ILE 23 HG13 ILE 23 -6.307 -9.281 2.570 191 HG21 ILE 23 HG21 ILE 23 -8.321 -10.065 -1.137 192 HG22 ILE 23 HG22 ILE 23 -8.498 -11.264 0.171 193 HG23 ILE 23 HG23 ILE 23 -9.236 -9.641 0.303 194 HD11 ILE 23 HD11 ILE 23 -9.289 -9.832 2.623 195 HD12 ILE 23 HD12 ILE 23 -8.271 -9.117 3.882 196 HD13 ILE 23 HD13 ILE 23 -8.632 -8.195 2.410 197 H THR 24 H THR 24 -5.199 -8.905 -1.986 198 HA THR 24 HA THR 24 -5.939 -11.026 -3.972 199 HB THR 24 HB THR 24 -6.246 -9.301 -5.572 200 HG1 THR 24 HG1 THR 24 -6.002 -7.122 -4.957 201 HG21 THR 24 HG21 THR 24 -8.132 -9.677 -3.974 202 HG22 THR 24 HG22 THR 24 -7.537 -8.319 -2.995 203 HG23 THR 24 HG23 THR 24 -8.100 -8.041 -4.657 204 H ASN 25 H ASN 25 -3.207 -9.287 -2.903 205 HA ASN 25 HA ASN 25 -1.012 -9.462 -3.284 206 HB2 ASN 25 HB2 ASN 25 -1.464 -10.906 -5.919 207 HB3 ASN 25 HB3 ASN 25 0.057 -10.675 -5.078 208 HD21 ASN 25 HD22 ASN 25 -2.993 -12.413 -5.027 209 HD22 ASN 25 HD21 ASN 25 -2.428 -13.659 -3.890 210 H ALA 26 H ALA 26 -3.168 -7.519 -4.740 211 HA ALA 26 HA ALA 26 -1.617 -6.305 -6.834 212 HB1 ALA 26 HB1 ALA 26 -4.077 -6.090 -6.568 213 HB2 ALA 26 HB2 ALA 26 -3.822 -5.116 -5.098 214 HB3 ALA 26 HB3 ALA 26 -3.283 -4.509 -6.674 215 H SER 27 H SER 27 -0.817 -4.001 -6.826 216 HA SER 27 HA SER 27 0.149 -2.932 -4.230 217 HB2 SER 27 HB2 SER 27 2.272 -2.275 -5.352 218 HB3 SER 27 HB3 SER 27 2.106 -3.984 -4.979 219 HG SER 27 HG SER 27 1.454 -2.827 -7.507 220 H GLN 28 H GLN 28 0.099 -0.703 -4.108 221 HA GLN 28 HA GLN 28 -0.204 0.992 -6.488 222 HB2 GLN 28 HB2 GLN 28 -2.511 0.331 -6.084 223 HB3 GLN 28 HB3 GLN 28 -2.358 0.629 -4.356 224 HG2 GLN 28 HG2 GLN 28 -3.685 2.331 -5.606 225 HG3 GLN 28 HG3 GLN 28 -2.371 2.980 -4.635 226 HE21 GLN 28 HE22 GLN 28 -3.028 1.945 -8.100 227 HE22 GLN 28 HE21 GLN 28 -2.040 3.262 -8.711 228 H PHE 29 H PHE 29 0.300 3.286 -5.882 229 HA PHE 29 HA PHE 29 1.956 3.363 -3.411 230 HB2 PHE 29 HB2 PHE 29 1.887 5.098 -5.873 231 HB3 PHE 29 HB3 PHE 29 2.756 5.513 -4.407 232 HD1 PHE 29 HD1 PHE 29 2.786 1.894 -5.640 233 HD2 PHE 29 HD2 PHE 29 4.898 5.689 -5.440 234 HE1 PHE 29 HE1 PHE 29 4.710 0.893 -6.701 235 HE2 PHE 29 HE2 PHE 29 6.870 4.603 -6.449 236 HZ PHE 29 HZ PHE 29 6.775 2.214 -7.116 237 H GLU 30 H GLU 30 -0.976 4.868 -4.849 238 HA GLU 30 HA GLU 30 -1.299 6.720 -2.644 239 HB2 GLU 30 HB2 GLU 30 -2.488 7.205 -4.640 240 HB3 GLU 30 HB3 GLU 30 -3.200 5.597 -4.699 241 HG2 GLU 30 HG2 GLU 30 -4.852 7.282 -4.108 242 HG3 GLU 30 HG3 GLU 30 -4.679 6.075 -2.852 243 H ARG 31 H ARG 31 -2.618 6.549 -0.855 244 HA ARG 31 HA ARG 31 -2.351 3.909 0.399 245 HB2 ARG 31 HB2 ARG 31 -3.269 6.287 1.947 246 HB3 ARG 31 HB3 ARG 31 -2.327 4.934 2.450 247 HG2 ARG 31 HG2 ARG 31 -0.411 6.058 2.164 248 HG3 ARG 31 HG3 ARG 31 -0.707 6.306 0.474 249 HD2 ARG 31 HD2 ARG 31 -1.417 8.107 2.795 250 HD3 ARG 31 HD3 ARG 31 -0.379 8.453 1.417 251 HE ARG 31 HE ARG 31 -2.424 8.521 -0.041 252 HH11 ARG 31 HH11 ARG 31 -3.217 8.700 3.454 253 HH12 ARG 31 HH12 ARG 31 -4.919 8.944 2.975 254 HH21 ARG 31 HH21 ARG 31 -4.567 8.917 -0.336 255 HH22 ARG 31 HH22 ARG 31 -5.571 9.026 1.156 256 HA PRO 32 HA PRO 32 -6.776 3.050 0.431 257 HB2 PRO 32 HB2 PRO 32 -5.438 0.856 2.057 258 HB3 PRO 32 HB3 PRO 32 -6.966 0.744 1.159 259 HG2 PRO 32 HG2 PRO 32 -5.065 0.183 -0.424 260 HG3 PRO 32 HG3 PRO 32 -5.756 1.684 -0.870 261 HD2 PRO 32 HD2 PRO 32 -3.457 1.585 1.038 262 HD3 PRO 32 HD3 PRO 32 -3.488 2.293 -0.609 263 H SER 33 H SER 33 -8.459 2.703 2.036 264 HA SER 33 HA SER 33 -9.767 3.405 3.673 265 HB2 SER 33 HB2 SER 33 -9.101 4.319 5.777 266 HB3 SER 33 HB3 SER 33 -8.105 2.908 5.399 267 HG SER 33 HG SER 33 -6.518 4.451 4.589 268 H GLY 34 H GLY 34 -7.682 6.181 4.076 269 HA2 GLY 34 HA2 GLY 34 -9.595 7.887 2.472 270 HA3 GLY 34 HA3 GLY 34 -8.678 8.434 3.872 271 H1 NAG 101 H1 NAG 35 11.408 2.389 -4.570 272 H2 NAG 101 H2 NAG 35 12.261 3.708 -7.209 273 H3 NAG 101 H3 NAG 35 9.459 3.034 -6.177 274 H4 NAG 101 H4 NAG 35 11.056 1.834 -8.498 275 H5 NAG 101 H5 NAG 35 10.227 0.634 -5.828 276 H61 NAG 101 H61 NAG 35 10.305 -1.325 -7.108 277 H62 NAG 101 H62 NAG 35 11.363 -0.588 -8.332 278 H81 NAG 101 H2M NAG 35 12.094 7.348 -4.856 279 H82 NAG 101 H3M NAG 35 10.316 7.272 -4.855 280 H83 NAG 101 H1M NAG 35 11.167 8.185 -6.119 281 HN2 NAG 101 H2N NAG 35 11.420 4.890 -4.700 282 HO3 NAG 101 H3O NAG 35 10.198 4.866 -7.933 283 HO4 NAG 101 H4O NAG 35 8.720 2.120 -8.532 284 HO6 NAG 101 H6O NAG 35 12.798 -0.356 -6.400 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -10.769 0.262 8.026 2 H2 LYS 1 H2 LYS 1 -11.654 1.627 7.772 3 H3 LYS 1 H3 LYS 1 -10.873 1.405 9.199 4 HA LYS 1 HA LYS 1 -9.715 3.007 7.869 5 HB2 LYS 1 HB2 LYS 1 -8.402 1.608 9.414 6 HB3 LYS 1 HB3 LYS 1 -8.204 0.390 8.160 7 HG2 LYS 1 HG2 LYS 1 -6.181 1.614 8.263 8 HG3 LYS 1 HG3 LYS 1 -6.956 2.097 6.762 9 HD2 LYS 1 HD2 LYS 1 -7.683 4.241 7.829 10 HD3 LYS 1 HD3 LYS 1 -6.967 3.694 9.356 11 HE2 LYS 1 HE2 LYS 1 -5.261 5.039 8.489 12 HE3 LYS 1 HE3 LYS 1 -4.762 3.407 8.033 13 HZ1 LYS 1 HZ1 LYS 1 -6.061 4.037 5.835 14 HZ2 LYS 1 HZ2 LYS 1 -5.815 5.557 6.308 15 HZ3 LYS 1 HZ3 LYS 1 -4.519 4.610 6.043 16 H LEU 2 H LEU 2 -9.417 -0.232 6.108 17 HA LEU 2 HA LEU 2 -9.427 1.251 3.574 18 HB2 LEU 2 HB2 LEU 2 -7.326 -0.077 2.986 19 HB3 LEU 2 HB3 LEU 2 -7.180 1.335 4.004 20 HG LEU 2 HG LEU 2 -6.910 -0.080 6.008 21 HD11 LEU 2 HD11 LEU 2 -6.407 -2.492 5.745 22 HD12 LEU 2 HD12 LEU 2 -8.101 -2.117 5.462 23 HD13 LEU 2 HD13 LEU 2 -7.024 -2.428 4.087 24 HD21 LEU 2 HD21 LEU 2 -4.996 0.754 4.803 25 HD22 LEU 2 HD22 LEU 2 -4.654 -0.880 5.405 26 HD23 LEU 2 HD23 LEU 2 -5.034 -0.624 3.690 27 HA PRO 3 HA PRO 3 -11.631 -2.218 2.102 28 HB2 PRO 3 HB2 PRO 3 -9.950 -2.563 -0.338 29 HB3 PRO 3 HB3 PRO 3 -11.678 -2.161 -0.205 30 HG2 PRO 3 HG2 PRO 3 -9.814 -0.284 -0.919 31 HG3 PRO 3 HG3 PRO 3 -11.267 0.113 0.052 32 HD2 PRO 3 HD2 PRO 3 -8.443 -0.330 1.002 33 HD3 PRO 3 HD3 PRO 3 -9.631 0.905 1.494 34 HA PRO 4 HA PRO 4 -10.035 -5.919 3.464 35 HB2 PRO 4 HB2 PRO 4 -11.044 -7.937 1.828 36 HB3 PRO 4 HB3 PRO 4 -11.944 -7.057 3.098 37 HG2 PRO 4 HG2 PRO 4 -11.871 -6.495 0.125 38 HG3 PRO 4 HG3 PRO 4 -13.297 -6.544 1.212 39 HD2 PRO 4 HD2 PRO 4 -12.174 -4.208 0.505 40 HD3 PRO 4 HD3 PRO 4 -12.727 -4.451 2.188 41 H GLY 5 H GLY 5 -8.011 -6.395 3.506 42 HA2 GLY 5 HA2 GLY 5 -6.280 -7.905 2.727 43 HA3 GLY 5 HA3 GLY 5 -6.632 -7.423 1.084 44 H TRP 6 H TRP 6 -6.779 -4.372 2.137 45 HA TRP 6 HA TRP 6 -4.055 -4.046 1.182 46 HB2 TRP 6 HB2 TRP 6 -6.038 -1.968 2.104 47 HB3 TRP 6 HB3 TRP 6 -4.448 -1.630 1.477 48 HD1 TRP 6 HD1 TRP 6 -7.892 -2.389 0.381 49 HE1 TRP 6 HE1 TRP 6 -8.035 -2.115 -2.186 50 HE3 TRP 6 HE3 TRP 6 -2.937 -2.207 -0.653 51 HZ2 TRP 6 HZ2 TRP 6 -6.181 -2.178 -4.428 52 HZ3 TRP 6 HZ3 TRP 6 -2.126 -2.085 -2.988 53 HH2 TRP 6 HH2 TRP 6 -3.740 -2.120 -4.888 54 H GLU 7 H GLU 7 -2.236 -3.446 2.065 55 HA GLU 7 HA GLU 7 -2.136 -2.484 4.879 56 HB2 GLU 7 HB2 GLU 7 -1.935 -5.011 4.620 57 HB3 GLU 7 HB3 GLU 7 -0.442 -4.731 3.719 58 HG2 GLU 7 HG2 GLU 7 0.555 -3.669 5.722 59 HG3 GLU 7 HG3 GLU 7 -0.981 -3.846 6.593 60 H LYS 8 H LYS 8 -0.266 -1.153 5.302 61 HA LYS 8 HA LYS 8 0.826 0.208 3.001 62 HB2 LYS 8 HB2 LYS 8 0.382 1.188 5.255 63 HB3 LYS 8 HB3 LYS 8 1.779 0.314 5.891 64 HG2 LYS 8 HG2 LYS 8 3.222 1.571 4.225 65 HG3 LYS 8 HG3 LYS 8 1.792 2.449 3.690 66 HD2 LYS 8 HD2 LYS 8 2.791 2.424 6.574 67 HD3 LYS 8 HD3 LYS 8 3.259 3.654 5.410 68 HE2 LYS 8 HE2 LYS 8 0.335 3.083 6.055 69 HE3 LYS 8 HE3 LYS 8 1.300 4.186 7.038 70 HZ1 LYS 8 HZ1 LYS 8 -0.016 5.216 5.119 71 HZ2 LYS 8 HZ2 LYS 8 1.576 5.626 5.219 72 HZ3 LYS 8 HZ3 LYS 8 1.060 4.505 4.127 73 H ARG 9 H ARG 9 2.894 0.188 2.186 74 HA ARG 9 HA ARG 9 4.664 -2.076 3.005 75 HB2 ARG 9 HB2 ARG 9 2.792 -2.692 1.280 76 HB3 ARG 9 HB3 ARG 9 3.708 -1.731 0.133 77 HG2 ARG 9 HG2 ARG 9 4.230 -4.070 -0.152 78 HG3 ARG 9 HG3 ARG 9 5.652 -3.263 0.470 79 HD2 ARG 9 HD2 ARG 9 5.567 -5.270 1.652 80 HD3 ARG 9 HD3 ARG 9 4.973 -4.108 2.816 81 HE ARG 9 HE ARG 9 3.356 -6.105 1.283 82 HH11 ARG 9 HH11 ARG 9 3.026 -3.824 4.091 83 HH12 ARG 9 HH12 ARG 9 2.209 -5.145 4.931 84 HH21 ARG 9 HH21 ARG 9 2.067 -7.467 2.626 85 HH22 ARG 9 HH22 ARG 9 1.605 -6.762 4.194 86 H MET 10 H MET 10 6.851 -2.009 2.125 87 HA MET 10 HA MET 10 7.664 0.711 1.272 88 HB2 MET 10 HB2 MET 10 7.753 0.419 3.792 89 HB3 MET 10 HB3 MET 10 8.976 -0.834 3.528 90 HG2 MET 10 HG2 MET 10 10.269 0.956 2.189 91 HG3 MET 10 HG3 MET 10 9.143 2.125 2.830 92 HE1 MET 10 HE1 MET 10 8.635 1.414 5.822 93 HE2 MET 10 HE2 MET 10 9.966 2.299 6.600 94 HE3 MET 10 HE3 MET 10 9.100 3.028 5.229 95 H PHE 11 H PHE 11 9.327 0.819 -0.108 96 HA PHE 11 HA PHE 11 10.294 -1.658 -1.312 97 HB2 PHE 11 HB2 PHE 11 10.577 1.277 -1.955 98 HB3 PHE 11 HB3 PHE 11 11.326 0.002 -2.903 99 HD1 PHE 11 HD2 PHE 11 9.782 -1.952 -3.703 100 HD2 PHE 11 HD1 PHE 11 8.279 1.930 -2.504 101 HE1 PHE 11 HE2 PHE 11 7.820 -2.229 -5.198 102 HE2 PHE 11 HE1 PHE 11 6.478 1.728 -4.175 103 HZ PHE 11 HZ PHE 11 6.214 -0.368 -5.466 104 H ARG 12 H ARG 12 11.751 -2.627 -0.033 105 HA ARG 12 HA ARG 12 14.037 -1.631 1.222 106 HB2 ARG 12 HB2 ARG 12 15.029 -3.892 0.773 107 HB3 ARG 12 HB3 ARG 12 13.410 -3.913 1.448 108 HG2 ARG 12 HG2 ARG 12 13.290 -5.600 -0.118 109 HG3 ARG 12 HG3 ARG 12 12.548 -4.266 -0.969 110 HD2 ARG 12 HD2 ARG 12 15.057 -3.954 -1.931 111 HD3 ARG 12 HD3 ARG 12 15.211 -5.614 -1.404 112 HE ARG 12 HE ARG 12 13.840 -6.294 -3.141 113 HH11 ARG 12 HH11 ARG 12 13.537 -2.760 -2.954 114 HH12 ARG 12 HH12 ARG 12 12.643 -2.700 -4.462 115 HH21 ARG 12 HH21 ARG 12 12.669 -6.068 -5.074 116 HH22 ARG 12 HH22 ARG 12 12.174 -4.467 -5.560 117 H SER 13 H SER 13 16.162 -1.233 0.601 118 HA SER 13 HA SER 13 17.880 -0.469 -0.563 119 HB2 SER 13 HB2 SER 13 18.391 -1.057 -2.796 120 HB3 SER 13 HB3 SER 13 17.628 -2.454 -2.021 121 HG SER 13 HG SER 13 15.606 -1.524 -2.961 122 H ASN 14 H ASN 14 14.763 0.934 -1.187 123 HA ASN 14 HA ASN 14 16.334 3.394 -1.672 124 HB2 ASN 14 HB2 ASN 14 15.107 4.232 -3.457 125 HB3 ASN 14 HB3 ASN 14 15.541 2.587 -3.890 126 HD21 ASN 14 HD21 ASN 14 13.881 2.743 -5.524 127 H GLY 15 H GLY 15 13.435 2.004 -0.200 128 HA2 GLY 15 HA2 GLY 15 12.709 2.743 1.909 129 HA3 GLY 15 HA3 GLY 15 13.501 4.304 1.672 130 H THR 16 H THR 16 11.767 3.483 -1.108 131 HA THR 16 HA THR 16 9.684 5.456 -0.774 132 HB THR 16 HB THR 16 9.919 3.136 -2.721 133 HG1 THR 16 HG1 THR 16 11.613 4.312 -2.899 134 HG21 THR 16 HG21 THR 16 8.555 4.495 -4.272 135 HG22 THR 16 HG22 THR 16 7.633 3.972 -2.877 136 HG23 THR 16 HG23 THR 16 8.233 5.652 -2.960 137 H VAL 17 H VAL 17 7.314 4.821 -0.942 138 HA VAL 17 HA VAL 17 6.585 2.507 0.718 139 HB VAL 17 HB VAL 17 6.087 5.380 1.527 140 HG11 VAL 17 HG11 VAL 17 3.845 4.359 1.639 141 HG12 VAL 17 HG12 VAL 17 4.510 2.974 2.531 142 HG13 VAL 17 HG13 VAL 17 4.505 4.593 3.257 143 HG21 VAL 17 HG21 VAL 17 6.834 4.542 3.731 144 HG22 VAL 17 HG22 VAL 17 6.924 2.890 3.080 145 HG23 VAL 17 HG23 VAL 17 8.043 4.154 2.501 146 H TYR 18 H TYR 18 4.520 1.842 0.393 147 HA TYR 18 HA TYR 18 2.668 3.066 -1.506 148 HB2 TYR 18 HB2 TYR 18 2.842 1.429 -3.194 149 HB3 TYR 18 HB3 TYR 18 4.431 2.077 -2.957 150 HD1 TYR 18 HD1 TYR 18 5.980 0.628 -1.248 151 HD2 TYR 18 HD2 TYR 18 2.619 -0.845 -3.529 152 HE1 TYR 18 HE1 TYR 18 6.980 -1.636 -1.249 153 HE2 TYR 18 HE2 TYR 18 3.626 -3.116 -3.518 154 HH TYR 18 HH TYR 18 5.469 -4.376 -2.968 155 H TYR 19 H TYR 19 1.121 0.756 -2.030 156 HA TYR 19 HA TYR 19 0.630 -0.470 0.620 157 HB2 TYR 19 HB2 TYR 19 -1.228 1.259 -0.974 158 HB3 TYR 19 HB3 TYR 19 -1.893 -0.225 -0.335 159 HD1 TYR 19 HD1 TYR 19 -0.052 2.831 0.705 160 HD2 TYR 19 HD2 TYR 19 -2.447 -0.500 1.950 161 HE1 TYR 19 HE1 TYR 19 -0.510 3.979 2.892 162 HE2 TYR 19 HE2 TYR 19 -2.732 0.543 4.201 163 HH TYR 19 HH TYR 19 -2.376 3.715 4.932 164 H PHE 20 H PHE 20 -0.283 -2.469 0.549 165 HA PHE 20 HA PHE 20 -0.251 -3.901 -2.067 166 HB2 PHE 20 HB2 PHE 20 1.891 -3.971 -0.838 167 HB3 PHE 20 HB3 PHE 20 1.086 -4.682 0.556 168 HD1 PHE 20 HD1 PHE 20 2.329 -5.245 -2.859 169 HD2 PHE 20 HD2 PHE 20 0.266 -7.033 0.471 170 HE1 PHE 20 HE1 PHE 20 2.594 -7.490 -3.901 171 HE2 PHE 20 HE2 PHE 20 0.613 -9.292 -0.540 172 HZ PHE 20 HZ PHE 20 1.744 -9.509 -2.732 173 H ASN 21 H ASN 21 -1.952 -5.230 -2.330 174 HA ASN 21 HA ASN 21 -3.797 -5.659 -0.054 175 HB2 ASN 21 HB2 ASN 21 -4.678 -4.782 -2.258 176 HB3 ASN 21 HB3 ASN 21 -4.195 -6.292 -2.980 177 HD21 ASN 21 HD22 ASN 21 -6.643 -4.687 -1.049 178 HD22 ASN 21 HD21 ASN 21 -7.574 -6.134 -0.682 179 H HIS 22 H HIS 22 -2.874 -7.324 1.196 180 HA HIS 22 HA HIS 22 -1.605 -9.575 -0.201 181 HB2 HIS 22 HB2 HIS 22 -1.150 -10.460 2.052 182 HB3 HIS 22 HB3 HIS 22 -0.517 -8.866 1.736 183 HD2 HIS 22 HD2 HIS 22 -0.851 -7.131 3.528 184 HE1 HIS 22 HE1 HIS 22 -3.678 -9.185 5.947 185 HE2 HIS 22 HE2 HIS 22 -1.954 -7.257 5.873 186 H ILE 23 H ILE 23 -4.813 -9.035 0.002 187 HA ILE 23 HA ILE 23 -5.484 -11.924 0.334 188 HB ILE 23 HB ILE 23 -7.053 -9.352 0.216 189 HG12 ILE 23 HG12 ILE 23 -6.908 -11.745 2.118 190 HG13 ILE 23 HG13 ILE 23 -6.195 -10.161 2.382 191 HG21 ILE 23 HG21 ILE 23 -9.157 -10.543 0.137 192 HG22 ILE 23 HG22 ILE 23 -8.248 -10.791 -1.342 193 HG23 ILE 23 HG23 ILE 23 -8.301 -12.090 -0.122 194 HD11 ILE 23 HD11 ILE 23 -9.138 -10.907 2.428 195 HD12 ILE 23 HD12 ILE 23 -8.141 -10.251 3.735 196 HD13 ILE 23 HD13 ILE 23 -8.585 -9.221 2.358 197 H THR 24 H THR 24 -5.112 -9.423 -2.100 198 HA THR 24 HA THR 24 -5.815 -11.373 -4.275 199 HB THR 24 HB THR 24 -6.023 -9.370 -5.710 200 HG1 THR 24 HG1 THR 24 -5.734 -7.939 -3.297 201 HG21 THR 24 HG21 THR 24 -7.641 -9.042 -3.140 202 HG22 THR 24 HG22 THR 24 -8.028 -8.386 -4.740 203 HG23 THR 24 HG23 THR 24 -8.049 -10.143 -4.477 204 H ASN 25 H ASN 25 -3.178 -9.556 -2.993 205 HA ASN 25 HA ASN 25 -0.979 -9.528 -3.319 206 HB2 ASN 25 HB2 ASN 25 -1.257 -10.924 -6.002 207 HB3 ASN 25 HB3 ASN 25 0.226 -10.605 -5.120 208 HD21 ASN 25 HD22 ASN 25 -2.669 -12.580 -5.204 209 HD22 ASN 25 HD21 ASN 25 -2.042 -13.807 -4.081 210 H ALA 26 H ALA 26 -3.254 -7.699 -4.670 211 HA ALA 26 HA ALA 26 -1.833 -6.370 -6.791 212 HB1 ALA 26 HB1 ALA 26 -4.060 -5.295 -5.009 213 HB2 ALA 26 HB2 ALA 26 -3.599 -4.704 -6.612 214 HB3 ALA 26 HB3 ALA 26 -4.315 -6.319 -6.443 215 H SER 27 H SER 27 -1.100 -4.075 -6.749 216 HA SER 27 HA SER 27 -0.234 -2.976 -4.135 217 HB2 SER 27 HB2 SER 27 1.915 -2.291 -5.168 218 HB3 SER 27 HB3 SER 27 1.778 -4.015 -4.855 219 HG SER 27 HG SER 27 1.104 -2.828 -7.354 220 H GLN 28 H GLN 28 -0.421 -0.767 -4.056 221 HA GLN 28 HA GLN 28 -0.656 0.806 -6.553 222 HB2 GLN 28 HB2 GLN 28 -2.720 0.690 -4.319 223 HB3 GLN 28 HB3 GLN 28 -2.466 2.169 -5.245 224 HG2 GLN 28 HG2 GLN 28 -2.928 1.001 -7.356 225 HG3 GLN 28 HG3 GLN 28 -3.150 -0.524 -6.497 226 HE21 GLN 28 HE22 GLN 28 -4.542 2.765 -7.001 227 HE22 GLN 28 HE21 GLN 28 -6.146 2.265 -6.425 228 H PHE 29 H PHE 29 0.049 3.007 -6.223 229 HA PHE 29 HA PHE 29 1.822 3.293 -3.819 230 HB2 PHE 29 HB2 PHE 29 1.797 4.706 -6.483 231 HB3 PHE 29 HB3 PHE 29 2.681 5.287 -5.082 232 HD1 PHE 29 HD1 PHE 29 2.617 1.551 -5.717 233 HD2 PHE 29 HD2 PHE 29 4.789 5.274 -6.244 234 HE1 PHE 29 HE1 PHE 29 4.489 0.339 -6.658 235 HE2 PHE 29 HE2 PHE 29 6.729 3.989 -7.081 236 HZ PHE 29 HZ PHE 29 6.574 1.523 -7.327 237 H GLU 30 H GLU 30 -1.094 4.329 -5.320 238 HA GLU 30 HA GLU 30 -1.703 6.620 -3.694 239 HB2 GLU 30 HB2 GLU 30 -3.790 4.729 -4.779 240 HB3 GLU 30 HB3 GLU 30 -3.837 6.472 -4.603 241 HG2 GLU 30 HG2 GLU 30 -3.672 6.267 -6.892 242 HG3 GLU 30 HG3 GLU 30 -1.977 6.479 -6.479 243 H ARG 31 H ARG 31 -2.330 6.619 -1.534 244 HA ARG 31 HA ARG 31 -2.389 4.049 -0.104 245 HB2 ARG 31 HB2 ARG 31 -2.749 6.891 0.963 246 HB3 ARG 31 HB3 ARG 31 -2.657 5.402 1.901 247 HG2 ARG 31 HG2 ARG 31 -0.510 6.085 2.134 248 HG3 ARG 31 HG3 ARG 31 -0.338 5.062 0.719 249 HD2 ARG 31 HD2 ARG 31 -0.927 7.752 -0.145 250 HD3 ARG 31 HD3 ARG 31 0.306 7.825 1.113 251 HE ARG 31 HE ARG 31 0.511 6.429 -1.527 252 HH11 ARG 31 HH11 ARG 31 2.316 7.287 1.374 253 HH12 ARG 31 HH12 ARG 31 3.802 6.707 0.649 254 HH21 ARG 31 HH21 ARG 31 2.245 5.783 -2.283 255 HH22 ARG 31 HH22 ARG 31 3.756 5.637 -1.392 256 HA PRO 32 HA PRO 32 -6.816 3.612 -0.807 257 HB2 PRO 32 HB2 PRO 32 -6.704 2.120 1.808 258 HB3 PRO 32 HB3 PRO 32 -7.529 1.679 0.284 259 HG2 PRO 32 HG2 PRO 32 -5.161 0.541 0.995 260 HG3 PRO 32 HG3 PRO 32 -5.504 0.939 -0.687 261 HD2 PRO 32 HD2 PRO 32 -3.786 2.437 1.283 262 HD3 PRO 32 HD3 PRO 32 -3.577 2.245 -0.484 263 H SER 33 H SER 33 -5.640 4.517 2.395 264 HA SER 33 HA SER 33 -7.502 6.762 2.579 265 HB2 SER 33 HB2 SER 33 -8.485 6.026 4.749 266 HB3 SER 33 HB3 SER 33 -8.934 4.990 3.393 267 HG SER 33 HG SER 33 -8.412 3.649 4.982 268 H GLY 34 H GLY 34 -4.610 6.477 2.454 269 HA2 GLY 34 HA2 GLY 34 -2.843 7.695 3.516 270 HA3 GLY 34 HA3 GLY 34 -3.719 7.664 5.043 271 H1 NAG 101 H1 NAG 35 11.140 2.255 -4.458 272 H2 NAG 101 H2 NAG 35 11.976 3.276 -7.228 273 H3 NAG 101 H3 NAG 35 9.184 2.504 -6.232 274 H4 NAG 101 H4 NAG 35 11.001 1.142 -8.294 275 H5 NAG 101 H5 NAG 35 10.070 0.289 -5.531 276 H61 NAG 101 H61 NAG 35 10.266 -1.808 -6.644 277 H62 NAG 101 H62 NAG 35 11.598 -1.224 -7.669 278 H81 NAG 101 H2M NAG 35 9.682 6.911 -5.355 279 H82 NAG 101 H3M NAG 35 10.490 7.743 -6.702 280 H83 NAG 101 H1M NAG 35 11.449 7.129 -5.338 281 HN2 NAG 101 H2N NAG 35 10.918 4.656 -4.909 282 HO3 NAG 101 H3O NAG 35 9.872 4.162 -8.166 283 HO4 NAG 101 H4O NAG 35 8.658 1.264 -8.492 284 HO6 NAG 101 H6O NAG 35 12.581 -0.758 -5.510 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -10.710 5.455 1.666 2 H2 LYS 1 H2 LYS 1 -9.823 4.077 1.743 3 H3 LYS 1 H3 LYS 1 -11.465 3.986 1.629 4 HA LYS 1 HA LYS 1 -11.423 4.991 -0.552 5 HB2 LYS 1 HB2 LYS 1 -8.426 4.921 -0.110 6 HB3 LYS 1 HB3 LYS 1 -9.157 4.990 -1.721 7 HG2 LYS 1 HG2 LYS 1 -10.228 7.091 -1.246 8 HG3 LYS 1 HG3 LYS 1 -9.712 7.041 0.454 9 HD2 LYS 1 HD2 LYS 1 -7.374 7.188 -0.169 10 HD3 LYS 1 HD3 LYS 1 -7.754 7.043 -1.893 11 HE2 LYS 1 HE2 LYS 1 -8.829 9.181 -1.956 12 HE3 LYS 1 HE3 LYS 1 -8.839 9.308 -0.181 13 HZ1 LYS 1 HZ1 LYS 1 -6.330 9.141 -1.753 14 HZ2 LYS 1 HZ2 LYS 1 -7.002 10.582 -1.257 15 HZ3 LYS 1 HZ3 LYS 1 -6.504 9.452 -0.152 16 H LEU 2 H LEU 2 -8.658 2.799 -0.946 17 HA LEU 2 HA LEU 2 -10.446 0.921 -2.143 18 HB2 LEU 2 HB2 LEU 2 -7.606 0.173 -1.835 19 HB3 LEU 2 HB3 LEU 2 -8.716 -0.238 -3.011 20 HG LEU 2 HG LEU 2 -8.879 1.903 -4.067 21 HD11 LEU 2 HD11 LEU 2 -6.124 2.608 -3.081 22 HD12 LEU 2 HD12 LEU 2 -7.281 3.572 -3.993 23 HD13 LEU 2 HD13 LEU 2 -7.541 3.281 -2.269 24 HD21 LEU 2 HD21 LEU 2 -6.799 1.491 -5.371 25 HD22 LEU 2 HD22 LEU 2 -6.207 0.436 -4.069 26 HD23 LEU 2 HD23 LEU 2 -7.658 -0.005 -5.001 27 HA PRO 3 HA PRO 3 -11.657 -1.983 0.670 28 HB2 PRO 3 HB2 PRO 3 -10.020 -4.095 -0.759 29 HB3 PRO 3 HB3 PRO 3 -11.761 -4.188 -0.299 30 HG2 PRO 3 HG2 PRO 3 -11.108 -3.647 -2.828 31 HG3 PRO 3 HG3 PRO 3 -12.300 -2.550 -2.027 32 HD2 PRO 3 HD2 PRO 3 -9.272 -2.178 -2.231 33 HD3 PRO 3 HD3 PRO 3 -10.545 -1.040 -2.722 34 HA PRO 4 HA PRO 4 -9.087 -3.710 3.988 35 HB2 PRO 4 HB2 PRO 4 -11.057 -6.002 3.800 36 HB3 PRO 4 HB3 PRO 4 -10.463 -5.150 5.262 37 HG2 PRO 4 HG2 PRO 4 -12.920 -4.595 4.265 38 HG3 PRO 4 HG3 PRO 4 -11.853 -3.259 4.811 39 HD2 PRO 4 HD2 PRO 4 -12.356 -4.233 1.992 40 HD3 PRO 4 HD3 PRO 4 -12.269 -2.557 2.620 41 H GLY 5 H GLY 5 -7.337 -5.173 3.952 42 HA2 GLY 5 HA2 GLY 5 -6.257 -7.223 2.969 43 HA3 GLY 5 HA3 GLY 5 -7.064 -6.820 1.467 44 H TRP 6 H TRP 6 -6.671 -3.807 1.373 45 HA TRP 6 HA TRP 6 -3.868 -3.758 0.709 46 HB2 TRP 6 HB2 TRP 6 -5.910 -1.614 1.202 47 HB3 TRP 6 HB3 TRP 6 -4.295 -1.340 0.589 48 HD1 TRP 6 HD1 TRP 6 -7.652 -1.934 -0.664 49 HE1 TRP 6 HE1 TRP 6 -7.599 -2.038 -3.199 50 HE3 TRP 6 HE3 TRP 6 -2.672 -2.123 -1.275 51 HZ2 TRP 6 HZ2 TRP 6 -5.610 -2.322 -5.296 52 HZ3 TRP 6 HZ3 TRP 6 -1.706 -2.030 -3.491 53 HH2 TRP 6 HH2 TRP 6 -3.127 -2.201 -5.557 54 H GLU 7 H GLU 7 -2.154 -3.169 1.768 55 HA GLU 7 HA GLU 7 -2.286 -1.967 4.495 56 HB2 GLU 7 HB2 GLU 7 -2.348 -4.558 4.331 57 HB3 GLU 7 HB3 GLU 7 -0.680 -4.441 3.767 58 HG2 GLU 7 HG2 GLU 7 -0.083 -3.321 5.924 59 HG3 GLU 7 HG3 GLU 7 -1.776 -3.425 6.432 60 H LYS 8 H LYS 8 -0.373 -0.738 5.056 61 HA LYS 8 HA LYS 8 1.030 0.352 2.834 62 HB2 LYS 8 HB2 LYS 8 0.491 1.513 4.969 63 HB3 LYS 8 HB3 LYS 8 1.803 0.629 5.762 64 HG2 LYS 8 HG2 LYS 8 3.429 1.691 4.175 65 HG3 LYS 8 HG3 LYS 8 2.093 2.438 3.308 66 HD2 LYS 8 HD2 LYS 8 3.067 4.124 4.714 67 HD3 LYS 8 HD3 LYS 8 1.467 3.729 5.328 68 HE2 LYS 8 HE2 LYS 8 2.926 3.959 7.214 69 HE3 LYS 8 HE3 LYS 8 2.522 2.247 7.060 70 HZ1 LYS 8 HZ1 LYS 8 5.034 3.528 6.142 71 HZ2 LYS 8 HZ2 LYS 8 4.878 2.554 7.457 72 HZ3 LYS 8 HZ3 LYS 8 4.671 1.937 5.946 73 H ARG 9 H ARG 9 3.082 0.183 2.100 74 HA ARG 9 HA ARG 9 4.781 -2.097 3.019 75 HB2 ARG 9 HB2 ARG 9 2.842 -2.449 1.099 76 HB3 ARG 9 HB3 ARG 9 4.112 -1.805 0.096 77 HG2 ARG 9 HG2 ARG 9 4.408 -4.064 -0.113 78 HG3 ARG 9 HG3 ARG 9 5.588 -3.715 1.116 79 HD2 ARG 9 HD2 ARG 9 3.059 -5.308 1.271 80 HD3 ARG 9 HD3 ARG 9 4.621 -5.630 1.991 81 HE ARG 9 HE ARG 9 3.520 -3.397 3.366 82 HH11 ARG 9 HH11 ARG 9 2.238 -6.748 3.068 83 HH12 ARG 9 HH12 ARG 9 1.390 -6.412 4.607 84 HH21 ARG 9 HH21 ARG 9 2.469 -3.367 5.189 85 HH22 ARG 9 HH22 ARG 9 1.575 -4.843 5.682 86 H MET 10 H MET 10 6.955 -2.092 2.112 87 HA MET 10 HA MET 10 7.872 0.597 1.250 88 HB2 MET 10 HB2 MET 10 7.972 0.348 3.771 89 HB3 MET 10 HB3 MET 10 9.143 -0.951 3.524 90 HG2 MET 10 HG2 MET 10 10.458 0.824 2.098 91 HG3 MET 10 HG3 MET 10 9.383 1.993 2.830 92 HE1 MET 10 HE1 MET 10 11.370 -1.230 4.206 93 HE2 MET 10 HE2 MET 10 12.450 -0.271 3.160 94 HE3 MET 10 HE3 MET 10 12.755 -0.369 4.910 95 H PHE 11 H PHE 11 9.383 0.603 -0.260 96 HA PHE 11 HA PHE 11 10.390 -1.855 -1.430 97 HB2 PHE 11 HB2 PHE 11 10.741 1.092 -2.016 98 HB3 PHE 11 HB3 PHE 11 11.453 -0.192 -2.988 99 HD1 PHE 11 HD1 PHE 11 9.792 -2.064 -3.843 100 HD2 PHE 11 HD2 PHE 11 8.559 1.886 -2.588 101 HE1 PHE 11 HE1 PHE 11 7.782 -2.219 -5.287 102 HE2 PHE 11 HE2 PHE 11 6.672 1.791 -4.177 103 HZ PHE 11 HZ PHE 11 6.257 -0.278 -5.491 104 H ARG 12 H ARG 12 11.827 -2.855 -0.127 105 HA ARG 12 HA ARG 12 14.116 -1.650 1.158 106 HB2 ARG 12 HB2 ARG 12 13.520 -4.470 0.158 107 HB3 ARG 12 HB3 ARG 12 15.060 -4.033 0.886 108 HG2 ARG 12 HG2 ARG 12 13.652 -5.071 2.540 109 HG3 ARG 12 HG3 ARG 12 13.970 -3.391 2.984 110 HD2 ARG 12 HD2 ARG 12 11.731 -2.724 2.313 111 HD3 ARG 12 HD3 ARG 12 11.418 -4.329 1.613 112 HE ARG 12 HE ARG 12 12.099 -4.585 4.375 113 HH11 ARG 12 HH11 ARG 12 9.394 -3.439 2.410 114 HH12 ARG 12 HH12 ARG 12 8.220 -4.054 3.562 115 HH21 ARG 12 HH22 ARG 12 10.538 -5.190 5.846 116 HH22 ARG 12 HH21 ARG 12 8.861 -4.911 5.505 117 H SER 13 H SER 13 16.133 -1.313 0.418 118 HA SER 13 HA SER 13 17.917 -0.994 -0.903 119 HB2 SER 13 HB2 SER 13 18.175 -1.563 -3.185 120 HB3 SER 13 HB3 SER 13 17.373 -2.913 -2.367 121 HG SER 13 HG SER 13 15.383 -2.066 -3.129 122 H ASN 14 H ASN 14 14.847 0.614 -1.392 123 HA ASN 14 HA ASN 14 16.534 3.012 -1.841 124 HB2 ASN 14 HB2 ASN 14 15.234 3.936 -3.570 125 HB3 ASN 14 HB3 ASN 14 15.669 2.304 -4.055 126 HD21 ASN 14 HD21 ASN 14 13.950 2.654 -5.636 127 H GLY 15 H GLY 15 13.695 1.681 -0.253 128 HA2 GLY 15 HA2 GLY 15 12.942 2.460 1.809 129 HA3 GLY 15 HA3 GLY 15 13.801 3.988 1.584 130 H THR 16 H THR 16 12.006 3.214 -1.224 131 HA THR 16 HA THR 16 10.015 5.300 -0.767 132 HB THR 16 HB THR 16 10.288 3.153 -2.897 133 HG1 THR 16 HG1 THR 16 11.843 4.895 -2.552 134 HG21 THR 16 HG21 THR 16 7.935 3.898 -2.958 135 HG22 THR 16 HG22 THR 16 8.465 5.598 -2.915 136 HG23 THR 16 HG23 THR 16 8.826 4.567 -4.315 137 H VAL 17 H VAL 17 7.637 4.760 -1.003 138 HA VAL 17 HA VAL 17 6.831 2.454 0.643 139 HB VAL 17 HB VAL 17 6.459 5.363 1.379 140 HG11 VAL 17 HG11 VAL 17 4.706 3.084 2.387 141 HG12 VAL 17 HG12 VAL 17 4.800 4.718 3.087 142 HG13 VAL 17 HG13 VAL 17 4.165 4.506 1.461 143 HG21 VAL 17 HG21 VAL 17 7.115 4.522 3.608 144 HG22 VAL 17 HG22 VAL 17 7.118 2.853 2.988 145 HG23 VAL 17 HG23 VAL 17 8.316 4.039 2.406 146 H TYR 18 H TYR 18 4.742 1.859 0.370 147 HA TYR 18 HA TYR 18 2.928 3.093 -1.528 148 HB2 TYR 18 HB2 TYR 18 3.016 1.409 -3.201 149 HB3 TYR 18 HB3 TYR 18 4.614 2.065 -3.027 150 HD1 TYR 18 HD1 TYR 18 6.193 0.615 -1.277 151 HD2 TYR 18 HD2 TYR 18 2.862 -0.821 -3.599 152 HE1 TYR 18 HE1 TYR 18 7.151 -1.671 -1.226 153 HE2 TYR 18 HE2 TYR 18 3.826 -3.126 -3.539 154 HH TYR 18 HH TYR 18 5.677 -4.394 -2.950 155 H TYR 19 H TYR 19 1.334 0.770 -2.038 156 HA TYR 19 HA TYR 19 0.797 -0.408 0.604 157 HB2 TYR 19 HB2 TYR 19 -1.022 1.328 -1.043 158 HB3 TYR 19 HB3 TYR 19 -1.705 -0.138 -0.379 159 HD1 TYR 19 HD1 TYR 19 0.303 2.864 0.723 160 HD2 TYR 19 HD2 TYR 19 -2.587 -0.163 1.776 161 HE1 TYR 19 HE1 TYR 19 -0.065 3.963 2.916 162 HE2 TYR 19 HE2 TYR 19 -3.043 1.011 3.913 163 HH TYR 19 HH TYR 19 -2.797 3.136 4.963 164 H PHE 20 H PHE 20 -0.104 -2.412 0.494 165 HA PHE 20 HA PHE 20 -0.057 -3.811 -2.145 166 HB2 PHE 20 HB2 PHE 20 2.074 -3.916 -0.894 167 HB3 PHE 20 HB3 PHE 20 1.219 -4.592 0.495 168 HD1 PHE 20 HD1 PHE 20 2.527 -5.224 -2.874 169 HD2 PHE 20 HD2 PHE 20 0.407 -6.938 0.454 170 HE1 PHE 20 HE1 PHE 20 2.733 -7.486 -3.910 171 HE2 PHE 20 HE2 PHE 20 0.696 -9.209 -0.543 172 HZ PHE 20 HZ PHE 20 1.811 -9.473 -2.729 173 H ASN 21 H ASN 21 -1.752 -5.146 -2.428 174 HA ASN 21 HA ASN 21 -3.627 -5.533 -0.174 175 HB2 ASN 21 HB2 ASN 21 -4.401 -4.775 -2.481 176 HB3 ASN 21 HB3 ASN 21 -4.024 -6.390 -3.033 177 HD21 ASN 21 HD22 ASN 21 -6.561 -4.484 -1.777 178 HD22 ASN 21 HD21 ASN 21 -7.472 -5.822 -1.092 179 H HIS 22 H HIS 22 -2.751 -7.091 1.193 180 HA HIS 22 HA HIS 22 -1.406 -9.414 -0.011 181 HB2 HIS 22 HB2 HIS 22 -1.114 -10.194 2.288 182 HB3 HIS 22 HB3 HIS 22 -0.523 -8.568 2.026 183 HD2 HIS 22 HD2 HIS 22 -1.215 -6.798 3.712 184 HE1 HIS 22 HE1 HIS 22 -4.223 -8.977 5.787 185 HE2 HIS 22 HE2 HIS 22 -2.641 -6.926 5.874 186 H ILE 23 H ILE 23 -4.646 -8.737 0.225 187 HA ILE 23 HA ILE 23 -5.465 -11.571 0.494 188 HB ILE 23 HB ILE 23 -6.879 -8.902 0.441 189 HG12 ILE 23 HG12 ILE 23 -6.763 -11.253 2.377 190 HG13 ILE 23 HG13 ILE 23 -5.970 -9.690 2.562 191 HG21 ILE 23 HG21 ILE 23 -9.038 -9.965 0.456 192 HG22 ILE 23 HG22 ILE 23 -8.206 -10.296 -1.056 193 HG23 ILE 23 HG23 ILE 23 -8.288 -11.568 0.193 194 HD11 ILE 23 HD11 ILE 23 -8.297 -8.633 2.630 195 HD12 ILE 23 HD12 ILE 23 -8.941 -10.285 2.749 196 HD13 ILE 23 HD13 ILE 23 -7.856 -9.669 4.003 197 H THR 24 H THR 24 -5.161 -9.039 -2.033 198 HA THR 24 HA THR 24 -5.890 -11.109 -4.077 199 HB THR 24 HB THR 24 -6.216 -9.343 -5.627 200 HG1 THR 24 HG1 THR 24 -5.982 -7.181 -4.943 201 HG21 THR 24 HG21 THR 24 -8.087 -9.770 -4.021 202 HG22 THR 24 HG22 THR 24 -7.490 -8.435 -3.014 203 HG23 THR 24 HG23 THR 24 -8.069 -8.118 -4.662 204 H ASN 25 H ASN 25 -3.168 -9.365 -2.974 205 HA ASN 25 HA ASN 25 -0.970 -9.510 -3.334 206 HB2 ASN 25 HB2 ASN 25 -1.391 -10.925 -5.994 207 HB3 ASN 25 HB3 ASN 25 0.122 -10.696 -5.139 208 HD21 ASN 25 HD22 ASN 25 -2.918 -12.455 -5.132 209 HD22 ASN 25 HD21 ASN 25 -2.346 -13.722 -4.023 210 H ALA 26 H ALA 26 -3.145 -7.597 -4.797 211 HA ALA 26 HA ALA 26 -1.599 -6.350 -6.870 212 HB1 ALA 26 HB1 ALA 26 -3.837 -5.207 -5.145 213 HB2 ALA 26 HB2 ALA 26 -3.300 -4.587 -6.717 214 HB3 ALA 26 HB3 ALA 26 -4.066 -6.182 -6.619 215 H SER 27 H SER 27 -0.785 -4.081 -6.870 216 HA SER 27 HA SER 27 0.071 -2.953 -4.263 217 HB2 SER 27 HB2 SER 27 2.205 -2.243 -5.339 218 HB3 SER 27 HB3 SER 27 2.080 -3.951 -4.948 219 HG SER 27 HG SER 27 1.446 -2.855 -7.506 220 H GLN 28 H GLN 28 -0.038 -0.744 -4.169 221 HA GLN 28 HA GLN 28 -0.370 0.931 -6.567 222 HB2 GLN 28 HB2 GLN 28 -2.662 0.242 -6.100 223 HB3 GLN 28 HB3 GLN 28 -2.467 0.557 -4.378 224 HG2 GLN 28 HG2 GLN 28 -3.851 2.243 -5.570 225 HG3 GLN 28 HG3 GLN 28 -2.486 2.914 -4.696 226 HE21 GLN 28 HE22 GLN 28 -3.498 1.950 -8.073 227 HE22 GLN 28 HE21 GLN 28 -2.453 3.173 -8.776 228 H PHE 29 H PHE 29 0.198 3.200 -6.001 229 HA PHE 29 HA PHE 29 1.857 3.291 -3.524 230 HB2 PHE 29 HB2 PHE 29 1.805 5.011 -5.997 231 HB3 PHE 29 HB3 PHE 29 2.681 5.423 -4.533 232 HD1 PHE 29 HD2 PHE 29 2.717 1.773 -5.584 233 HD2 PHE 29 HD1 PHE 29 4.763 5.604 -5.737 234 HE1 PHE 29 HE2 PHE 29 4.625 0.724 -6.626 235 HE2 PHE 29 HE1 PHE 29 6.736 4.471 -6.702 236 HZ PHE 29 HZ PHE 29 6.669 2.033 -7.175 237 H GLU 30 H GLU 30 -1.103 4.677 -4.944 238 HA GLU 30 HA GLU 30 -1.453 6.588 -2.779 239 HB2 GLU 30 HB2 GLU 30 -2.789 6.000 -5.183 240 HB3 GLU 30 HB3 GLU 30 -3.966 5.603 -3.947 241 HG2 GLU 30 HG2 GLU 30 -2.456 8.253 -4.151 242 HG3 GLU 30 HG3 GLU 30 -4.055 7.961 -4.829 243 H ARG 31 H ARG 31 -2.860 6.406 -1.095 244 HA ARG 31 HA ARG 31 -2.617 3.781 0.282 245 HB2 ARG 31 HB2 ARG 31 -3.215 6.402 1.651 246 HB3 ARG 31 HB3 ARG 31 -2.648 4.915 2.336 247 HG2 ARG 31 HG2 ARG 31 -0.637 5.980 2.283 248 HG3 ARG 31 HG3 ARG 31 -0.571 5.282 0.678 249 HD2 ARG 31 HD2 ARG 31 0.193 7.520 0.557 250 HD3 ARG 31 HD3 ARG 31 -1.372 7.506 -0.242 251 HE ARG 31 HE ARG 31 -0.686 8.693 2.397 252 HH11 ARG 31 HH21 ARG 31 -3.284 8.474 -0.079 253 HH12 ARG 31 HH22 ARG 31 -4.453 9.055 1.107 254 HH21 ARG 31 HH11 ARG 31 -2.263 9.586 3.695 255 HH22 ARG 31 HH12 ARG 31 -3.913 9.575 3.117 256 HA PRO 32 HA PRO 32 -7.154 3.174 -0.042 257 HB2 PRO 32 HB2 PRO 32 -6.054 0.912 1.641 258 HB3 PRO 32 HB3 PRO 32 -7.536 0.937 0.627 259 HG2 PRO 32 HG2 PRO 32 -5.552 0.078 -0.693 260 HG3 PRO 32 HG3 PRO 32 -6.208 1.477 -1.341 261 HD2 PRO 32 HD2 PRO 32 -3.826 1.553 0.494 262 HD3 PRO 32 HD3 PRO 32 -4.004 2.243 -1.147 263 H SER 33 H SER 33 -5.162 3.303 2.861 264 HA SER 33 HA SER 33 -7.061 3.651 4.886 265 HB2 SER 33 HB2 SER 33 -4.359 5.031 4.648 266 HB3 SER 33 HB3 SER 33 -5.259 4.716 6.143 267 HG SER 33 HG SER 33 -5.015 2.493 5.745 268 H GLY 34 H GLY 34 -6.249 6.042 2.367 269 HA2 GLY 34 HA2 GLY 34 -8.058 7.808 2.201 270 HA3 GLY 34 HA3 GLY 34 -7.748 8.145 3.908 271 H1 NAG 101 H1 NAG 35 11.216 2.186 -4.544 272 H2 NAG 101 H2 NAG 35 12.103 3.262 -7.276 273 H3 NAG 101 H3 NAG 35 9.273 2.650 -6.287 274 H4 NAG 101 H4 NAG 35 10.972 1.251 -8.421 275 H5 NAG 101 H5 NAG 35 10.012 0.315 -5.691 276 H61 NAG 101 H61 NAG 35 10.069 -1.652 -7.121 277 H62 NAG 101 H62 NAG 35 11.598 -1.129 -7.857 278 H81 NAG 101 H2M NAG 35 11.874 7.064 -5.231 279 H82 NAG 101 H3M NAG 35 10.096 6.979 -5.238 280 H83 NAG 101 H1M NAG 35 10.952 7.797 -6.562 281 HN2 NAG 101 H2N NAG 35 11.181 4.618 -4.888 282 HO3 NAG 101 H3O NAG 35 10.059 4.333 -8.158 283 HO4 NAG 101 H4O NAG 35 8.643 1.553 -8.579 284 HO6 NAG 101 H6O NAG 35 12.371 -1.119 -5.562 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -9.623 4.340 1.196 2 H2 LYS 1 H2 LYS 1 -11.165 4.863 1.431 3 H3 LYS 1 H3 LYS 1 -9.972 5.890 0.884 4 HA LYS 1 HA LYS 1 -11.662 5.034 -0.807 5 HB2 LYS 1 HB2 LYS 1 -8.680 5.028 -1.147 6 HB3 LYS 1 HB3 LYS 1 -9.756 4.670 -2.513 7 HG2 LYS 1 HG2 LYS 1 -10.862 6.826 -2.312 8 HG3 LYS 1 HG3 LYS 1 -9.895 7.258 -0.920 9 HD2 LYS 1 HD2 LYS 1 -9.035 6.943 -3.800 10 HD3 LYS 1 HD3 LYS 1 -8.884 8.365 -2.773 11 HE2 LYS 1 HE2 LYS 1 -7.303 5.766 -2.485 12 HE3 LYS 1 HE3 LYS 1 -6.709 7.233 -3.253 13 HZ1 LYS 1 HZ1 LYS 1 -6.263 8.161 -1.340 14 HZ2 LYS 1 HZ2 LYS 1 -7.614 7.567 -0.477 15 HZ3 LYS 1 HZ3 LYS 1 -6.291 6.665 -0.706 16 H LEU 2 H LEU 2 -8.843 2.783 -0.941 17 HA LEU 2 HA LEU 2 -10.613 0.857 -2.068 18 HB2 LEU 2 HB2 LEU 2 -7.747 0.188 -1.782 19 HB3 LEU 2 HB3 LEU 2 -8.858 -0.282 -2.933 20 HG LEU 2 HG LEU 2 -9.104 1.836 -4.032 21 HD11 LEU 2 HD11 LEU 2 -7.751 3.252 -2.275 22 HD12 LEU 2 HD12 LEU 2 -6.352 2.582 -3.087 23 HD13 LEU 2 HD13 LEU 2 -7.527 3.529 -4.012 24 HD21 LEU 2 HD21 LEU 2 -7.857 -0.071 -4.947 25 HD22 LEU 2 HD22 LEU 2 -7.036 1.431 -5.366 26 HD23 LEU 2 HD23 LEU 2 -6.400 0.420 -4.049 27 HA PRO 3 HA PRO 3 -11.711 -2.024 0.793 28 HB2 PRO 3 HB2 PRO 3 -10.098 -4.134 -0.669 29 HB3 PRO 3 HB3 PRO 3 -11.825 -4.229 -0.176 30 HG2 PRO 3 HG2 PRO 3 -11.235 -3.696 -2.716 31 HG3 PRO 3 HG3 PRO 3 -12.409 -2.595 -1.892 32 HD2 PRO 3 HD2 PRO 3 -9.385 -2.241 -2.153 33 HD3 PRO 3 HD3 PRO 3 -10.655 -1.098 -2.636 34 HA PRO 4 HA PRO 4 -9.074 -3.745 4.056 35 HB2 PRO 4 HB2 PRO 4 -11.006 -6.071 3.863 36 HB3 PRO 4 HB3 PRO 4 -10.404 -5.231 5.329 37 HG2 PRO 4 HG2 PRO 4 -12.883 -4.697 4.377 38 HG3 PRO 4 HG3 PRO 4 -11.826 -3.353 4.922 39 HD2 PRO 4 HD2 PRO 4 -12.360 -4.300 2.101 40 HD3 PRO 4 HD3 PRO 4 -12.287 -2.630 2.747 41 H GLY 5 H GLY 5 -7.294 -5.171 3.979 42 HA2 GLY 5 HA2 GLY 5 -6.193 -7.200 2.953 43 HA3 GLY 5 HA3 GLY 5 -7.021 -6.781 1.470 44 H TRP 6 H TRP 6 -6.678 -3.761 1.430 45 HA TRP 6 HA TRP 6 -3.872 -3.658 0.738 46 HB2 TRP 6 HB2 TRP 6 -5.962 -1.559 1.224 47 HB3 TRP 6 HB3 TRP 6 -4.355 -1.258 0.603 48 HD1 TRP 6 HD1 TRP 6 -7.712 -1.959 -0.613 49 HE1 TRP 6 HE1 TRP 6 -7.691 -2.040 -3.129 50 HE3 TRP 6 HE3 TRP 6 -2.726 -2.016 -1.272 51 HZ2 TRP 6 HZ2 TRP 6 -5.700 -2.247 -5.265 52 HZ3 TRP 6 HZ3 TRP 6 -1.775 -1.917 -3.501 53 HH2 TRP 6 HH2 TRP 6 -3.223 -2.082 -5.551 54 H GLU 7 H GLU 7 -2.165 -2.980 1.801 55 HA GLU 7 HA GLU 7 -2.346 -1.800 4.535 56 HB2 GLU 7 HB2 GLU 7 -2.286 -4.317 4.538 57 HB3 GLU 7 HB3 GLU 7 -0.760 -4.244 3.651 58 HG2 GLU 7 HG2 GLU 7 0.289 -3.083 5.589 59 HG3 GLU 7 HG3 GLU 7 -1.258 -3.152 6.456 60 H LYS 8 H LYS 8 -0.394 -0.571 5.113 61 HA LYS 8 HA LYS 8 0.995 0.578 2.880 62 HB2 LYS 8 HB2 LYS 8 0.524 1.691 5.083 63 HB3 LYS 8 HB3 LYS 8 1.815 0.722 5.805 64 HG2 LYS 8 HG2 LYS 8 3.461 1.786 4.254 65 HG3 LYS 8 HG3 LYS 8 2.152 2.602 3.410 66 HD2 LYS 8 HD2 LYS 8 3.253 4.173 4.872 67 HD3 LYS 8 HD3 LYS 8 1.600 3.895 5.441 68 HE2 LYS 8 HE2 LYS 8 2.454 2.316 7.159 69 HE3 LYS 8 HE3 LYS 8 4.106 2.558 6.568 70 HZ1 LYS 8 HZ1 LYS 8 3.917 4.889 7.185 71 HZ2 LYS 8 HZ2 LYS 8 2.380 4.669 7.723 72 HZ3 LYS 8 HZ3 LYS 8 3.632 3.939 8.497 73 H ARG 9 H ARG 9 3.107 0.413 2.206 74 HA ARG 9 HA ARG 9 4.717 -1.903 3.153 75 HB2 ARG 9 HB2 ARG 9 2.880 -2.484 1.374 76 HB3 ARG 9 HB3 ARG 9 3.854 -1.561 0.245 77 HG2 ARG 9 HG2 ARG 9 4.328 -3.891 -0.042 78 HG3 ARG 9 HG3 ARG 9 5.746 -3.149 0.661 79 HD2 ARG 9 HD2 ARG 9 5.517 -5.173 1.819 80 HD3 ARG 9 HD3 ARG 9 4.938 -3.980 2.961 81 HE ARG 9 HE ARG 9 3.292 -5.929 1.402 82 HH11 ARG 9 HH12 ARG 9 2.916 -3.510 4.103 83 HH12 ARG 9 HH11 ARG 9 1.954 -4.738 4.910 84 HH21 ARG 9 HH21 ARG 9 1.862 -7.171 2.744 85 HH22 ARG 9 HH22 ARG 9 1.326 -6.344 4.225 86 H MET 10 H MET 10 6.930 -1.907 2.375 87 HA MET 10 HA MET 10 7.844 0.710 1.307 88 HB2 MET 10 HB2 MET 10 8.038 0.533 3.829 89 HB3 MET 10 HB3 MET 10 9.194 -0.786 3.571 90 HG2 MET 10 HG2 MET 10 10.494 0.861 2.079 91 HG3 MET 10 HG3 MET 10 9.437 2.117 2.681 92 HE1 MET 10 HE1 MET 10 9.638 3.307 4.898 93 HE2 MET 10 HE2 MET 10 9.015 1.826 5.670 94 HE3 MET 10 HE3 MET 10 10.451 2.640 6.332 95 H PHE 11 H PHE 11 9.377 0.634 -0.223 96 HA PHE 11 HA PHE 11 10.052 -1.901 -1.453 97 HB2 PHE 11 HB2 PHE 11 10.636 0.997 -2.044 98 HB3 PHE 11 HB3 PHE 11 11.265 -0.321 -3.021 99 HD1 PHE 11 HD2 PHE 11 9.558 -2.117 -3.857 100 HD2 PHE 11 HD1 PHE 11 8.411 1.861 -2.588 101 HE1 PHE 11 HE2 PHE 11 7.583 -2.191 -5.356 102 HE2 PHE 11 HE1 PHE 11 6.595 1.850 -4.249 103 HZ PHE 11 HZ PHE 11 6.143 -0.194 -5.589 104 H ARG 12 H ARG 12 11.519 -3.147 -0.561 105 HA ARG 12 HA ARG 12 13.883 -2.430 0.835 106 HB2 ARG 12 HB2 ARG 12 13.330 -4.847 -0.957 107 HB3 ARG 12 HB3 ARG 12 14.617 -4.700 0.229 108 HG2 ARG 12 HG2 ARG 12 13.267 -5.732 1.652 109 HG3 ARG 12 HG3 ARG 12 12.409 -4.213 1.834 110 HD2 ARG 12 HD2 ARG 12 11.696 -6.325 -0.255 111 HD3 ARG 12 HD3 ARG 12 11.058 -6.358 1.388 112 HE ARG 12 HE ARG 12 10.162 -3.979 0.844 113 HH11 ARG 12 HH11 ARG 12 10.076 -6.684 -1.428 114 HH12 ARG 12 HH12 ARG 12 8.628 -6.072 -2.186 115 HH21 ARG 12 HH21 ARG 12 8.472 -3.304 -0.110 116 HH22 ARG 12 HH22 ARG 12 7.661 -4.113 -1.450 117 H SER 13 H SER 13 16.000 -2.211 0.117 118 HA SER 13 HA SER 13 17.730 -1.558 -1.099 119 HB2 SER 13 HB2 SER 13 18.063 -2.057 -3.383 120 HB3 SER 13 HB3 SER 13 17.187 -3.412 -2.654 121 HG SER 13 HG SER 13 15.231 -2.276 -3.441 122 H ASN 14 H ASN 14 14.749 0.203 -1.431 123 HA ASN 14 HA ASN 14 16.562 2.501 -1.846 124 HB2 ASN 14 HB2 ASN 14 15.382 3.568 -3.562 125 HB3 ASN 14 HB3 ASN 14 15.685 1.922 -4.092 126 HD21 ASN 14 HD21 ASN 14 14.029 2.153 -5.678 127 H GLY 15 H GLY 15 13.541 1.384 -0.381 128 HA2 GLY 15 HA2 GLY 15 12.910 2.151 1.749 129 HA3 GLY 15 HA3 GLY 15 13.859 3.625 1.536 130 H THR 16 H THR 16 12.054 3.101 -1.253 131 HA THR 16 HA THR 16 10.151 5.232 -0.861 132 HB THR 16 HB THR 16 10.159 2.925 -2.839 133 HG1 THR 16 HG1 THR 16 11.944 3.957 -3.032 134 HG21 THR 16 HG21 THR 16 8.898 4.430 -4.352 135 HG22 THR 16 HG22 THR 16 7.953 3.942 -2.956 136 HG23 THR 16 HG23 THR 16 8.676 5.573 -3.006 137 H VAL 17 H VAL 17 7.710 4.812 -1.018 138 HA VAL 17 HA VAL 17 6.851 2.564 0.685 139 HB VAL 17 HB VAL 17 6.518 5.493 1.353 140 HG11 VAL 17 HG11 VAL 17 4.223 4.639 1.491 141 HG12 VAL 17 HG12 VAL 17 4.779 3.236 2.438 142 HG13 VAL 17 HG13 VAL 17 4.884 4.881 3.104 143 HG21 VAL 17 HG21 VAL 17 8.391 4.198 2.385 144 HG22 VAL 17 HG22 VAL 17 7.204 4.702 3.594 145 HG23 VAL 17 HG23 VAL 17 7.203 3.022 3.010 146 H TYR 18 H TYR 18 4.725 2.009 0.422 147 HA TYR 18 HA TYR 18 2.956 3.251 -1.509 148 HB2 TYR 18 HB2 TYR 18 3.013 1.546 -3.167 149 HB3 TYR 18 HB3 TYR 18 4.620 2.186 -3.000 150 HD1 TYR 18 HD1 TYR 18 6.152 0.717 -1.189 151 HD2 TYR 18 HD2 TYR 18 2.883 -0.662 -3.620 152 HE1 TYR 18 HE1 TYR 18 7.099 -1.553 -1.147 153 HE2 TYR 18 HE2 TYR 18 3.839 -2.971 -3.584 154 HH TYR 18 HH TYR 18 5.571 -4.244 -2.944 155 H TYR 19 H TYR 19 1.287 1.007 -2.033 156 HA TYR 19 HA TYR 19 0.747 -0.185 0.598 157 HB2 TYR 19 HB2 TYR 19 -1.083 1.547 -1.044 158 HB3 TYR 19 HB3 TYR 19 -1.754 0.094 -0.333 159 HD1 TYR 19 HD1 TYR 19 0.354 3.068 0.687 160 HD2 TYR 19 HD2 TYR 19 -2.613 0.148 1.835 161 HE1 TYR 19 HE1 TYR 19 0.154 4.125 2.921 162 HE2 TYR 19 HE2 TYR 19 -2.944 1.337 3.993 163 HH TYR 19 HH TYR 19 -2.543 3.741 4.875 164 H PHE 20 H PHE 20 -0.159 -2.173 0.493 165 HA PHE 20 HA PHE 20 -0.022 -3.624 -2.106 166 HB2 PHE 20 HB2 PHE 20 2.102 -3.631 -0.860 167 HB3 PHE 20 HB3 PHE 20 1.294 -4.283 0.559 168 HD1 PHE 20 HD1 PHE 20 2.455 -5.013 -2.878 169 HD2 PHE 20 HD2 PHE 20 0.612 -6.640 0.654 170 HE1 PHE 20 HE1 PHE 20 2.785 -7.315 -3.768 171 HE2 PHE 20 HE2 PHE 20 1.026 -8.952 -0.205 172 HZ PHE 20 HZ PHE 20 2.089 -9.279 -2.416 173 H ASN 21 H ASN 21 -1.679 -4.967 -2.390 174 HA ASN 21 HA ASN 21 -3.586 -5.402 -0.177 175 HB2 ASN 21 HB2 ASN 21 -4.370 -4.684 -2.481 176 HB3 ASN 21 HB3 ASN 21 -3.812 -6.224 -3.070 177 HD21 ASN 21 HD22 ASN 21 -6.408 -4.552 -1.390 178 HD22 ASN 21 HD21 ASN 21 -7.322 -6.013 -1.060 179 H HIS 22 H HIS 22 -2.589 -6.920 1.215 180 HA HIS 22 HA HIS 22 -1.212 -9.216 0.022 181 HB2 HIS 22 HB2 HIS 22 -0.893 -9.976 2.337 182 HB3 HIS 22 HB3 HIS 22 -0.310 -8.360 2.024 183 HD2 HIS 22 HD2 HIS 22 -0.972 -6.538 3.653 184 HE1 HIS 22 HE1 HIS 22 -3.785 -8.727 5.968 185 HE2 HIS 22 HE2 HIS 22 -2.228 -6.657 5.913 186 H ILE 23 H ILE 23 -4.448 -8.692 0.084 187 HA ILE 23 HA ILE 23 -5.184 -11.521 0.593 188 HB ILE 23 HB ILE 23 -6.602 -8.883 0.253 189 HG12 ILE 23 HG12 ILE 23 -6.586 -11.121 2.329 190 HG13 ILE 23 HG13 ILE 23 -5.868 -9.522 2.481 191 HG21 ILE 23 HG21 ILE 23 -7.851 -10.349 -1.234 192 HG22 ILE 23 HG22 ILE 23 -8.034 -11.542 0.080 193 HG23 ILE 23 HG23 ILE 23 -8.773 -9.917 0.201 194 HD11 ILE 23 HD11 ILE 23 -8.813 -10.257 2.525 195 HD12 ILE 23 HD12 ILE 23 -7.841 -9.505 3.798 196 HD13 ILE 23 HD13 ILE 23 -8.258 -8.581 2.339 197 H THR 24 H THR 24 -4.588 -9.286 -2.004 198 HA THR 24 HA THR 24 -5.216 -11.405 -4.056 199 HB THR 24 HB THR 24 -5.456 -9.533 -5.656 200 HG1 THR 24 HG1 THR 24 -5.295 -7.924 -3.344 201 HG21 THR 24 HG21 THR 24 -7.181 -9.052 -3.185 202 HG22 THR 24 HG22 THR 24 -7.536 -8.576 -4.853 203 HG23 THR 24 HG23 THR 24 -7.490 -10.298 -4.416 204 H ASN 25 H ASN 25 -2.710 -9.375 -2.867 205 HA ASN 25 HA ASN 25 -0.502 -9.261 -3.136 206 HB2 ASN 25 HB2 ASN 25 -0.639 -10.838 -5.731 207 HB3 ASN 25 HB3 ASN 25 0.805 -10.363 -4.857 208 HD21 ASN 25 HD22 ASN 25 -1.955 -12.517 -4.833 209 HD22 ASN 25 HD21 ASN 25 -1.269 -13.622 -3.621 210 H ALA 26 H ALA 26 -2.811 -7.632 -4.705 211 HA ALA 26 HA ALA 26 -1.364 -6.297 -6.788 212 HB1 ALA 26 HB1 ALA 26 -3.857 -6.340 -6.516 213 HB2 ALA 26 HB2 ALA 26 -3.687 -5.251 -5.119 214 HB3 ALA 26 HB3 ALA 26 -3.203 -4.705 -6.731 215 H SER 27 H SER 27 -0.769 -3.939 -6.813 216 HA SER 27 HA SER 27 0.057 -2.760 -4.220 217 HB2 SER 27 HB2 SER 27 2.181 -2.016 -5.298 218 HB3 SER 27 HB3 SER 27 2.092 -3.727 -4.903 219 HG SER 27 HG SER 27 1.407 -2.666 -7.460 220 H GLN 28 H GLN 28 -0.070 -0.543 -4.146 221 HA GLN 28 HA GLN 28 -0.282 1.079 -6.587 222 HB2 GLN 28 HB2 GLN 28 -2.653 0.365 -5.993 223 HB3 GLN 28 HB3 GLN 28 -2.428 1.121 -4.409 224 HG2 GLN 28 HG2 GLN 28 -1.961 3.313 -5.666 225 HG3 GLN 28 HG3 GLN 28 -2.430 2.474 -7.148 226 HE21 GLN 28 HE22 GLN 28 -3.624 3.367 -3.792 227 HE22 GLN 28 HE21 GLN 28 -5.281 3.482 -4.411 228 H PHE 29 H PHE 29 0.505 3.280 -6.089 229 HA PHE 29 HA PHE 29 1.912 3.406 -3.513 230 HB2 PHE 29 HB2 PHE 29 1.908 5.230 -5.908 231 HB3 PHE 29 HB3 PHE 29 2.789 5.542 -4.424 232 HD1 PHE 29 HD2 PHE 29 2.779 1.939 -5.596 233 HD2 PHE 29 HD1 PHE 29 4.850 5.759 -5.676 234 HE1 PHE 29 HE2 PHE 29 4.646 0.919 -6.738 235 HE2 PHE 29 HE1 PHE 29 6.795 4.643 -6.710 236 HZ PHE 29 HZ PHE 29 6.694 2.228 -7.278 237 H GLU 30 H GLU 30 -1.048 4.886 -4.842 238 HA GLU 30 HA GLU 30 -1.286 6.702 -2.573 239 HB2 GLU 30 HB2 GLU 30 -2.617 6.413 -5.046 240 HB3 GLU 30 HB3 GLU 30 -3.841 6.034 -3.857 241 HG2 GLU 30 HG2 GLU 30 -2.168 8.578 -3.965 242 HG3 GLU 30 HG3 GLU 30 -3.844 8.413 -4.495 243 H ARG 31 H ARG 31 -2.748 6.512 -0.936 244 HA ARG 31 HA ARG 31 -2.712 3.792 0.239 245 HB2 ARG 31 HB2 ARG 31 -3.781 6.129 1.786 246 HB3 ARG 31 HB3 ARG 31 -2.901 4.759 2.335 247 HG2 ARG 31 HG2 ARG 31 -0.974 5.894 2.341 248 HG3 ARG 31 HG3 ARG 31 -1.116 6.371 0.668 249 HD2 ARG 31 HD2 ARG 31 -2.324 7.734 3.128 250 HD3 ARG 31 HD3 ARG 31 -0.979 8.324 2.150 251 HE ARG 31 HE ARG 31 -2.593 8.573 0.236 252 HH11 ARG 31 HH21 ARG 31 -4.417 8.063 3.302 253 HH12 ARG 31 HH22 ARG 31 -5.785 8.729 2.438 254 HH21 ARG 31 HH11 ARG 31 -4.521 9.240 -0.513 255 HH22 ARG 31 HH12 ARG 31 -5.851 9.350 0.675 256 HA PRO 32 HA PRO 32 -7.244 3.251 -0.088 257 HB2 PRO 32 HB2 PRO 32 -6.272 0.927 1.612 258 HB3 PRO 32 HB3 PRO 32 -7.708 1.008 0.538 259 HG2 PRO 32 HG2 PRO 32 -5.695 0.094 -0.683 260 HG3 PRO 32 HG3 PRO 32 -6.303 1.501 -1.364 261 HD2 PRO 32 HD2 PRO 32 -3.996 1.489 0.594 262 HD3 PRO 32 HD3 PRO 32 -4.033 2.210 -1.047 263 H SER 33 H SER 33 -5.262 3.205 2.834 264 HA SER 33 HA SER 33 -7.341 3.852 4.744 265 HB2 SER 33 HB2 SER 33 -5.508 4.251 6.278 266 HB3 SER 33 HB3 SER 33 -5.196 2.753 5.376 267 HG SER 33 HG SER 33 -4.278 5.312 4.639 268 H GLY 34 H GLY 34 -8.403 5.438 3.505 269 HA2 GLY 34 HA2 GLY 34 -9.120 7.722 3.603 270 HA3 GLY 34 HA3 GLY 34 -7.451 8.245 3.837 271 H1 NAG 101 H1 NAG 35 11.264 1.938 -4.590 272 H2 NAG 101 H2 NAG 35 12.175 2.891 -7.361 273 H3 NAG 101 H3 NAG 35 9.329 2.374 -6.357 274 H4 NAG 101 H4 NAG 35 10.998 0.843 -8.426 275 H5 NAG 101 H5 NAG 35 10.016 0.084 -5.654 276 H61 NAG 101 H61 NAG 35 9.992 -1.953 -7.010 277 H62 NAG 101 H62 NAG 35 11.581 -1.554 -7.695 278 H81 NAG 101 H2M NAG 35 11.989 6.761 -5.438 279 H82 NAG 101 H3M NAG 35 10.210 6.706 -5.466 280 H83 NAG 101 H1M NAG 35 11.099 7.467 -6.804 281 HN2 NAG 101 H2N NAG 35 11.244 4.345 -5.028 282 HO3 NAG 101 H3O NAG 35 10.159 3.961 -8.289 283 HO4 NAG 101 H4O NAG 35 8.670 1.197 -8.590 284 HO6 NAG 101 H6O NAG 35 12.304 -1.509 -5.416 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -6.821 5.537 -0.479 2 H2 LYS 1 H2 LYS 1 -7.692 6.807 0.015 3 H3 LYS 1 H3 LYS 1 -7.649 6.378 -1.597 4 HA LYS 1 HA LYS 1 -8.713 4.715 0.602 5 HB2 LYS 1 HB2 LYS 1 -9.995 6.864 0.422 6 HB3 LYS 1 HB3 LYS 1 -10.403 6.447 -1.229 7 HG2 LYS 1 HG2 LYS 1 -12.215 5.947 0.358 8 HG3 LYS 1 HG3 LYS 1 -11.670 4.516 -0.497 9 HD2 LYS 1 HD2 LYS 1 -12.181 3.988 1.781 10 HD3 LYS 1 HD3 LYS 1 -10.475 3.717 1.520 11 HE2 LYS 1 HE2 LYS 1 -11.480 6.331 2.738 12 HE3 LYS 1 HE3 LYS 1 -11.378 4.855 3.703 13 HZ1 LYS 1 HZ1 LYS 1 -8.985 4.728 2.926 14 HZ2 LYS 1 HZ2 LYS 1 -9.097 6.302 2.475 15 HZ3 LYS 1 HZ3 LYS 1 -9.306 5.852 4.041 16 H LEU 2 H LEU 2 -8.722 2.670 0.068 17 HA LEU 2 HA LEU 2 -10.052 1.671 -2.172 18 HB2 LEU 2 HB2 LEU 2 -7.348 0.396 -2.035 19 HB3 LEU 2 HB3 LEU 2 -8.564 0.229 -3.158 20 HG LEU 2 HG LEU 2 -8.322 2.429 -4.151 21 HD11 LEU 2 HD11 LEU 2 -5.472 2.411 -3.119 22 HD12 LEU 2 HD12 LEU 2 -6.298 3.636 -4.097 23 HD13 LEU 2 HD13 LEU 2 -6.703 3.457 -2.390 24 HD21 LEU 2 HD21 LEU 2 -6.422 1.632 -5.533 25 HD22 LEU 2 HD22 LEU 2 -6.022 0.434 -4.280 26 HD23 LEU 2 HD23 LEU 2 -7.560 0.332 -5.174 27 HA PRO 3 HA PRO 3 -11.632 -1.228 0.570 28 HB2 PRO 3 HB2 PRO 3 -10.250 -3.459 -0.946 29 HB3 PRO 3 HB3 PRO 3 -11.985 -3.390 -0.449 30 HG2 PRO 3 HG2 PRO 3 -11.336 -2.844 -2.975 31 HG3 PRO 3 HG3 PRO 3 -12.387 -1.652 -2.115 32 HD2 PRO 3 HD2 PRO 3 -9.341 -1.592 -2.399 33 HD3 PRO 3 HD3 PRO 3 -10.510 -0.301 -2.794 34 HA PRO 4 HA PRO 4 -9.287 -3.367 3.810 35 HB2 PRO 4 HB2 PRO 4 -11.441 -5.470 3.487 36 HB3 PRO 4 HB3 PRO 4 -10.793 -4.751 4.996 37 HG2 PRO 4 HG2 PRO 4 -13.180 -3.929 4.014 38 HG3 PRO 4 HG3 PRO 4 -12.004 -2.722 4.632 39 HD2 PRO 4 HD2 PRO 4 -12.561 -3.511 1.768 40 HD3 PRO 4 HD3 PRO 4 -12.338 -1.880 2.473 41 H GLY 5 H GLY 5 -7.666 -4.951 3.732 42 HA2 GLY 5 HA2 GLY 5 -6.722 -7.048 2.706 43 HA3 GLY 5 HA3 GLY 5 -7.471 -6.543 1.200 44 H TRP 6 H TRP 6 -6.842 -3.575 1.214 45 HA TRP 6 HA TRP 6 -4.014 -3.696 0.630 46 HB2 TRP 6 HB2 TRP 6 -5.957 -1.486 1.096 47 HB3 TRP 6 HB3 TRP 6 -4.319 -1.282 0.489 48 HD1 TRP 6 HD1 TRP 6 -7.706 -1.746 -0.796 49 HE1 TRP 6 HE1 TRP 6 -7.635 -1.862 -3.313 50 HE3 TRP 6 HE3 TRP 6 -2.745 -2.072 -1.359 51 HZ2 TRP 6 HZ2 TRP 6 -5.652 -2.351 -5.397 52 HZ3 TRP 6 HZ3 TRP 6 -1.763 -2.039 -3.557 53 HH2 TRP 6 HH2 TRP 6 -3.166 -2.286 -5.642 54 H GLU 7 H GLU 7 -2.261 -3.140 1.766 55 HA GLU 7 HA GLU 7 -2.469 -1.630 4.295 56 HB2 GLU 7 HB2 GLU 7 -2.767 -4.090 4.774 57 HB3 GLU 7 HB3 GLU 7 -1.143 -4.377 4.196 58 HG2 GLU 7 HG2 GLU 7 -1.897 -2.554 6.526 59 HG3 GLU 7 HG3 GLU 7 -1.488 -4.258 6.701 60 H LYS 8 H LYS 8 -0.301 -0.829 5.005 61 HA LYS 8 HA LYS 8 1.008 0.437 2.789 62 HB2 LYS 8 HB2 LYS 8 0.646 1.695 4.697 63 HB3 LYS 8 HB3 LYS 8 1.168 0.472 5.806 64 HG2 LYS 8 HG2 LYS 8 3.077 1.934 3.938 65 HG3 LYS 8 HG3 LYS 8 2.602 2.546 5.515 66 HD2 LYS 8 HD2 LYS 8 4.347 0.137 4.943 67 HD3 LYS 8 HD3 LYS 8 4.710 1.606 5.794 68 HE2 LYS 8 HE2 LYS 8 4.568 0.099 7.503 69 HE3 LYS 8 HE3 LYS 8 2.984 0.869 7.580 70 HZ1 LYS 8 HZ1 LYS 8 3.242 -1.748 7.623 71 HZ2 LYS 8 HZ2 LYS 8 1.965 -1.120 6.838 72 HZ3 LYS 8 HZ3 LYS 8 3.215 -1.582 5.968 73 H ARG 9 H ARG 9 3.007 0.164 1.884 74 HA ARG 9 HA ARG 9 4.664 -2.144 2.796 75 HB2 ARG 9 HB2 ARG 9 2.858 -2.541 0.895 76 HB3 ARG 9 HB3 ARG 9 3.976 -1.673 -0.119 77 HG2 ARG 9 HG2 ARG 9 4.272 -4.049 -0.393 78 HG3 ARG 9 HG3 ARG 9 5.720 -3.405 0.340 79 HD2 ARG 9 HD2 ARG 9 5.049 -5.575 1.338 80 HD3 ARG 9 HD3 ARG 9 5.082 -4.283 2.539 81 HE ARG 9 HE ARG 9 2.549 -5.138 1.198 82 HH11 ARG 9 HH11 ARG 9 4.115 -4.870 4.394 83 HH12 ARG 9 HH12 ARG 9 2.521 -4.429 5.077 84 HH21 ARG 9 HH21 ARG 9 0.660 -4.420 2.397 85 HH22 ARG 9 HH22 ARG 9 0.907 -4.405 4.146 86 H MET 10 H MET 10 6.925 -2.054 2.054 87 HA MET 10 HA MET 10 7.786 0.670 1.247 88 HB2 MET 10 HB2 MET 10 7.705 0.370 3.760 89 HB3 MET 10 HB3 MET 10 8.955 -0.867 3.580 90 HG2 MET 10 HG2 MET 10 10.373 0.927 2.421 91 HG3 MET 10 HG3 MET 10 9.156 2.092 2.857 92 HE1 MET 10 HE1 MET 10 10.439 3.707 4.257 93 HE2 MET 10 HE2 MET 10 11.627 3.271 5.504 94 HE3 MET 10 HE3 MET 10 11.939 2.872 3.803 95 H PHE 11 H PHE 11 9.405 0.751 -0.170 96 HA PHE 11 HA PHE 11 10.345 -1.725 -1.363 97 HB2 PHE 11 HB2 PHE 11 10.763 1.214 -1.943 98 HB3 PHE 11 HB3 PHE 11 11.485 -0.070 -2.899 99 HD1 PHE 11 HD2 PHE 11 9.906 -1.920 -3.830 100 HD2 PHE 11 HD1 PHE 11 8.506 1.959 -2.511 101 HE1 PHE 11 HE2 PHE 11 7.964 -2.072 -5.376 102 HE2 PHE 11 HE1 PHE 11 6.731 1.881 -4.205 103 HZ PHE 11 HZ PHE 11 6.427 -0.147 -5.604 104 H ARG 12 H ARG 12 11.739 -2.767 0.031 105 HA ARG 12 HA ARG 12 14.141 -1.621 1.140 106 HB2 ARG 12 HB2 ARG 12 13.511 -4.448 0.153 107 HB3 ARG 12 HB3 ARG 12 14.968 -4.027 1.049 108 HG2 ARG 12 HG2 ARG 12 12.147 -3.618 2.143 109 HG3 ARG 12 HG3 ARG 12 13.103 -5.073 2.416 110 HD2 ARG 12 HD2 ARG 12 14.781 -3.903 3.643 111 HD3 ARG 12 HD3 ARG 12 14.170 -2.324 3.170 112 HE ARG 12 HE ARG 12 13.136 -4.069 5.279 113 HH11 ARG 12 HH21 ARG 12 12.345 -1.325 3.268 114 HH12 ARG 12 HH22 ARG 12 11.314 -0.580 4.462 115 HH21 ARG 12 HH12 ARG 12 11.693 -3.155 6.756 116 HH22 ARG 12 HH11 ARG 12 10.910 -1.652 6.369 117 H SER 13 H SER 13 16.155 -1.396 0.299 118 HA SER 13 HA SER 13 17.862 -1.157 -1.187 119 HB2 SER 13 HB2 SER 13 16.212 -1.426 -3.674 120 HB3 SER 13 HB3 SER 13 17.936 -1.722 -3.415 121 HG SER 13 HG SER 13 15.707 -3.237 -2.608 122 H ASN 14 H ASN 14 14.834 0.635 -1.253 123 HA ASN 14 HA ASN 14 16.584 2.962 -1.682 124 HB2 ASN 14 HB2 ASN 14 15.373 4.051 -3.375 125 HB3 ASN 14 HB3 ASN 14 15.734 2.432 -3.945 126 HD21 ASN 14 HD21 ASN 14 14.086 2.661 -5.545 127 H GLY 15 H GLY 15 13.594 1.734 -0.296 128 HA2 GLY 15 HA2 GLY 15 12.883 2.349 1.830 129 HA3 GLY 15 HA3 GLY 15 13.754 3.877 1.748 130 H THR 16 H THR 16 12.020 3.365 -1.114 131 HA THR 16 HA THR 16 10.018 5.391 -0.675 132 HB THR 16 HB THR 16 10.165 3.150 -2.722 133 HG1 THR 16 HG1 THR 16 11.892 4.276 -2.856 134 HG21 THR 16 HG21 THR 16 8.862 4.657 -4.218 135 HG22 THR 16 HG22 THR 16 7.912 4.037 -2.882 136 HG23 THR 16 HG23 THR 16 8.529 5.712 -2.827 137 H VAL 17 H VAL 17 7.613 4.843 -0.922 138 HA VAL 17 HA VAL 17 6.798 2.517 0.680 139 HB VAL 17 HB VAL 17 6.294 5.406 1.420 140 HG11 VAL 17 HG11 VAL 17 4.023 4.490 1.368 141 HG12 VAL 17 HG12 VAL 17 4.552 3.057 2.284 142 HG13 VAL 17 HG13 VAL 17 4.560 4.665 3.036 143 HG21 VAL 17 HG21 VAL 17 8.129 4.127 2.533 144 HG22 VAL 17 HG22 VAL 17 6.848 4.560 3.672 145 HG23 VAL 17 HG23 VAL 17 6.931 2.900 3.040 146 H TYR 18 H TYR 18 4.726 1.885 0.263 147 HA TYR 18 HA TYR 18 2.955 3.161 -1.643 148 HB2 TYR 18 HB2 TYR 18 3.091 1.551 -3.365 149 HB3 TYR 18 HB3 TYR 18 4.692 2.148 -3.111 150 HD1 TYR 18 HD1 TYR 18 6.189 0.645 -1.420 151 HD2 TYR 18 HD2 TYR 18 2.814 -0.709 -3.745 152 HE1 TYR 18 HE1 TYR 18 7.128 -1.627 -1.414 153 HE2 TYR 18 HE2 TYR 18 3.768 -3.037 -3.712 154 HH TYR 18 HH TYR 18 6.953 -3.749 -2.344 155 H TYR 19 H TYR 19 1.411 0.770 -2.176 156 HA TYR 19 HA TYR 19 0.849 -0.380 0.479 157 HB2 TYR 19 HB2 TYR 19 -0.958 1.363 -1.174 158 HB3 TYR 19 HB3 TYR 19 -1.653 -0.051 -0.423 159 HD1 TYR 19 HD1 TYR 19 0.349 3.029 0.437 160 HD2 TYR 19 HD2 TYR 19 -2.355 -0.046 1.791 161 HE1 TYR 19 HE1 TYR 19 -0.025 4.284 2.557 162 HE2 TYR 19 HE2 TYR 19 -2.754 1.213 3.882 163 HH TYR 19 HH TYR 19 -2.495 3.246 4.920 164 H PHE 20 H PHE 20 -0.217 -2.312 0.382 165 HA PHE 20 HA PHE 20 -0.119 -3.773 -2.215 166 HB2 PHE 20 HB2 PHE 20 1.982 -3.897 -0.940 167 HB3 PHE 20 HB3 PHE 20 1.097 -4.463 0.465 168 HD1 PHE 20 HD2 PHE 20 2.240 -5.357 -2.944 169 HD2 PHE 20 HD1 PHE 20 0.410 -6.801 0.692 170 HE1 PHE 20 HE2 PHE 20 2.455 -7.702 -3.754 171 HE2 PHE 20 HE1 PHE 20 0.720 -9.137 -0.092 172 HZ PHE 20 HZ PHE 20 1.702 -9.588 -2.311 173 H ASN 21 H ASN 21 -1.849 -5.050 -2.482 174 HA ASN 21 HA ASN 21 -3.782 -5.400 -0.293 175 HB2 ASN 21 HB2 ASN 21 -4.425 -4.826 -2.690 176 HB3 ASN 21 HB3 ASN 21 -3.986 -6.478 -3.095 177 HD21 ASN 21 HD22 ASN 21 -6.580 -4.489 -2.010 178 HD22 ASN 21 HD21 ASN 21 -7.540 -5.811 -1.367 179 H HIS 22 H HIS 22 -3.058 -6.826 1.239 180 HA HIS 22 HA HIS 22 -1.437 -9.136 0.468 181 HB2 HIS 22 HB2 HIS 22 -1.438 -9.688 2.822 182 HB3 HIS 22 HB3 HIS 22 -1.066 -7.990 2.589 183 HD2 HIS 22 HD2 HIS 22 -2.506 -6.262 3.878 184 HE1 HIS 22 HE1 HIS 22 -5.550 -8.864 5.340 185 HE2 HIS 22 HE2 HIS 22 -4.607 -6.485 5.448 186 H ILE 23 H ILE 23 -4.776 -8.614 0.309 187 HA ILE 23 HA ILE 23 -5.485 -11.462 0.646 188 HB ILE 23 HB ILE 23 -7.016 -8.883 0.248 189 HG12 ILE 23 HG12 ILE 23 -7.007 -11.079 2.359 190 HG13 ILE 23 HG13 ILE 23 -6.294 -9.475 2.498 191 HG21 ILE 23 HG21 ILE 23 -8.246 -11.646 0.063 192 HG22 ILE 23 HG22 ILE 23 -9.109 -10.082 0.125 193 HG23 ILE 23 HG23 ILE 23 -8.108 -10.464 -1.265 194 HD11 ILE 23 HD11 ILE 23 -8.641 -8.508 2.243 195 HD12 ILE 23 HD12 ILE 23 -9.246 -10.170 2.426 196 HD13 ILE 23 HD13 ILE 23 -8.318 -9.421 3.732 197 H THR 24 H THR 24 -5.070 -9.090 -2.031 198 HA THR 24 HA THR 24 -5.552 -11.332 -3.960 199 HB THR 24 HB THR 24 -5.879 -9.683 -5.646 200 HG1 THR 24 HG1 THR 24 -5.856 -7.469 -5.046 201 HG21 THR 24 HG21 THR 24 -7.390 -8.734 -3.177 202 HG22 THR 24 HG22 THR 24 -7.877 -8.552 -4.876 203 HG23 THR 24 HG23 THR 24 -7.821 -10.163 -4.141 204 H ASN 25 H ASN 25 -3.000 -9.340 -2.838 205 HA ASN 25 HA ASN 25 -0.786 -9.352 -3.109 206 HB2 ASN 25 HB2 ASN 25 -0.988 -11.013 -5.645 207 HB3 ASN 25 HB3 ASN 25 0.467 -10.587 -4.764 208 HD21 ASN 25 HD22 ASN 25 -2.431 -12.563 -4.687 209 HD22 ASN 25 HD21 ASN 25 -1.824 -13.662 -3.427 210 H ALA 26 H ALA 26 -3.009 -7.691 -4.751 211 HA ALA 26 HA ALA 26 -1.493 -6.458 -6.858 212 HB1 ALA 26 HB1 ALA 26 -3.821 -5.358 -5.226 213 HB2 ALA 26 HB2 ALA 26 -3.282 -4.779 -6.813 214 HB3 ALA 26 HB3 ALA 26 -3.973 -6.406 -6.661 215 H SER 27 H SER 27 -0.792 -4.142 -6.926 216 HA SER 27 HA SER 27 0.061 -2.948 -4.338 217 HB2 SER 27 HB2 SER 27 2.150 -2.213 -5.454 218 HB3 SER 27 HB3 SER 27 2.061 -3.934 -5.112 219 HG SER 27 HG SER 27 1.342 -2.768 -7.618 220 H GLN 28 H GLN 28 -0.012 -0.721 -4.256 221 HA GLN 28 HA GLN 28 -0.387 0.888 -6.685 222 HB2 GLN 28 HB2 GLN 28 -2.597 0.237 -4.900 223 HB3 GLN 28 HB3 GLN 28 -2.185 1.914 -4.643 224 HG2 GLN 28 HG2 GLN 28 -2.715 0.709 -7.396 225 HG3 GLN 28 HG3 GLN 28 -3.950 1.448 -6.382 226 HE21 GLN 28 HE22 GLN 28 -4.131 2.845 -8.502 227 HE22 GLN 28 HE21 GLN 28 -3.085 4.256 -8.459 228 H PHE 29 H PHE 29 0.170 3.162 -6.179 229 HA PHE 29 HA PHE 29 1.845 3.415 -3.707 230 HB2 PHE 29 HB2 PHE 29 1.828 5.015 -6.257 231 HB3 PHE 29 HB3 PHE 29 2.595 5.551 -4.773 232 HD1 PHE 29 HD1 PHE 29 2.831 1.869 -5.789 233 HD2 PHE 29 HD2 PHE 29 4.799 5.746 -5.670 234 HE1 PHE 29 HE1 PHE 29 4.832 0.898 -6.717 235 HE2 PHE 29 HE2 PHE 29 6.859 4.685 -6.511 236 HZ PHE 29 HZ PHE 29 6.880 2.267 -7.075 237 H GLU 30 H GLU 30 -1.234 4.302 -5.125 238 HA GLU 30 HA GLU 30 -1.849 6.456 -3.307 239 HB2 GLU 30 HB2 GLU 30 -3.102 5.372 -5.442 240 HB3 GLU 30 HB3 GLU 30 -3.995 4.541 -4.185 241 HG2 GLU 30 HG2 GLU 30 -3.745 7.526 -4.726 242 HG3 GLU 30 HG3 GLU 30 -5.185 6.528 -4.901 243 H ARG 31 H ARG 31 -3.004 6.303 -1.421 244 HA ARG 31 HA ARG 31 -2.385 3.944 0.293 245 HB2 ARG 31 HB2 ARG 31 -3.274 6.542 1.491 246 HB3 ARG 31 HB3 ARG 31 -2.336 5.284 2.183 247 HG2 ARG 31 HG2 ARG 31 -0.416 6.326 1.658 248 HG3 ARG 31 HG3 ARG 31 -0.768 6.307 -0.046 249 HD2 ARG 31 HD2 ARG 31 -1.443 8.409 2.000 250 HD3 ARG 31 HD3 ARG 31 -0.439 8.575 0.561 251 HE ARG 31 HE ARG 31 -2.594 8.330 -0.816 252 HH11 ARG 31 HH21 ARG 31 -3.169 9.361 2.578 253 HH12 ARG 31 HH22 ARG 31 -4.902 9.426 2.123 254 HH21 ARG 31 HH11 ARG 31 -4.639 8.529 -1.025 255 HH22 ARG 31 HH12 ARG 31 -5.645 9.086 0.368 256 HA PRO 32 HA PRO 32 -6.831 3.091 0.210 257 HB2 PRO 32 HB2 PRO 32 -5.532 0.761 1.640 258 HB3 PRO 32 HB3 PRO 32 -7.130 0.780 0.795 259 HG2 PRO 32 HG2 PRO 32 -5.328 0.179 -0.909 260 HG3 PRO 32 HG3 PRO 32 -6.065 1.648 -1.209 261 HD2 PRO 32 HD2 PRO 32 -3.475 1.541 0.250 262 HD3 PRO 32 HD3 PRO 32 -3.918 2.398 -1.261 263 H SER 33 H SER 33 -4.780 3.086 3.095 264 HA SER 33 HA SER 33 -6.681 3.238 5.119 265 HB2 SER 33 HB2 SER 33 -4.096 4.837 5.014 266 HB3 SER 33 HB3 SER 33 -4.985 4.355 6.468 267 HG SER 33 HG SER 33 -4.499 2.218 6.023 268 H GLY 34 H GLY 34 -5.429 6.030 3.204 269 HA2 GLY 34 HA2 GLY 34 -7.586 7.772 4.365 270 HA3 GLY 34 HA3 GLY 34 -5.947 8.330 4.050 271 H1 NAG 101 H1 NAG 35 11.319 2.314 -4.495 272 H2 NAG 101 H2 NAG 35 12.228 3.407 -7.216 273 H3 NAG 101 H3 NAG 35 9.398 2.765 -6.245 274 H4 NAG 101 H4 NAG 35 11.098 1.397 -8.395 275 H5 NAG 101 H5 NAG 35 10.131 0.408 -5.688 276 H61 NAG 101 H61 NAG 35 11.237 -1.659 -6.096 277 H62 NAG 101 H62 NAG 35 10.393 -1.351 -7.622 278 H81 NAG 101 H2M NAG 35 10.941 7.921 -6.465 279 H82 NAG 101 H3M NAG 35 11.889 7.210 -5.141 280 H83 NAG 101 H1M NAG 35 10.118 7.048 -5.155 281 HN2 NAG 101 H2N NAG 35 11.228 4.735 -4.832 282 HO3 NAG 101 H3O NAG 35 10.183 4.468 -8.104 283 HO4 NAG 101 H4O NAG 35 8.774 1.695 -8.542 284 HO6 NAG 101 H6O NAG 35 13.029 -0.433 -7.087 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -8.029 5.562 -4.242 2 H2 LYS 1 H2 LYS 1 -8.659 6.880 -3.518 3 H3 LYS 1 H3 LYS 1 -9.662 5.775 -4.244 4 HA LYS 1 HA LYS 1 -7.937 5.073 -1.981 5 HB2 LYS 1 HB2 LYS 1 -9.416 6.870 -1.267 6 HB3 LYS 1 HB3 LYS 1 -10.832 6.043 -1.899 7 HG2 LYS 1 HG2 LYS 1 -9.130 4.668 0.197 8 HG3 LYS 1 HG3 LYS 1 -10.161 6.012 0.678 9 HD2 LYS 1 HD2 LYS 1 -12.138 4.851 -0.326 10 HD3 LYS 1 HD3 LYS 1 -11.143 3.426 -0.613 11 HE2 LYS 1 HE2 LYS 1 -11.663 4.711 2.107 12 HE3 LYS 1 HE3 LYS 1 -12.530 3.316 1.453 13 HZ1 LYS 1 HZ1 LYS 1 -10.335 2.156 1.345 14 HZ2 LYS 1 HZ2 LYS 1 -9.630 3.394 2.109 15 HZ3 LYS 1 HZ3 LYS 1 -10.792 2.538 2.892 16 H LEU 2 H LEU 2 -8.218 2.902 -1.309 17 HA LEU 2 HA LEU 2 -10.099 1.295 -2.842 18 HB2 LEU 2 HB2 LEU 2 -7.383 0.102 -2.474 19 HB3 LEU 2 HB3 LEU 2 -8.645 -0.289 -3.556 20 HG LEU 2 HG LEU 2 -8.324 1.825 -4.859 21 HD11 LEU 2 HD11 LEU 2 -6.601 2.956 -3.441 22 HD12 LEU 2 HD12 LEU 2 -5.542 1.526 -3.639 23 HD13 LEU 2 HD13 LEU 2 -5.976 2.507 -5.037 24 HD21 LEU 2 HD21 LEU 2 -7.804 -0.527 -5.594 25 HD22 LEU 2 HD22 LEU 2 -6.672 0.660 -6.247 26 HD23 LEU 2 HD23 LEU 2 -6.188 -0.332 -4.860 27 HA PRO 3 HA PRO 3 -11.622 -0.944 0.508 28 HB2 PRO 3 HB2 PRO 3 -10.383 -3.420 -0.732 29 HB3 PRO 3 HB3 PRO 3 -12.090 -3.224 -0.185 30 HG2 PRO 3 HG2 PRO 3 -11.548 -3.102 -2.772 31 HG3 PRO 3 HG3 PRO 3 -12.512 -1.739 -2.074 32 HD2 PRO 3 HD2 PRO 3 -9.473 -1.869 -2.452 33 HD3 PRO 3 HD3 PRO 3 -10.620 -0.632 -3.034 34 HA PRO 4 HA PRO 4 -9.228 -2.948 3.846 35 HB2 PRO 4 HB2 PRO 4 -11.494 -4.952 3.801 36 HB3 PRO 4 HB3 PRO 4 -10.747 -4.137 5.212 37 HG2 PRO 4 HG2 PRO 4 -13.135 -3.284 4.266 38 HG3 PRO 4 HG3 PRO 4 -11.875 -2.086 4.713 39 HD2 PRO 4 HD2 PRO 4 -12.602 -3.119 1.968 40 HD3 PRO 4 HD3 PRO 4 -12.290 -1.437 2.496 41 H GLY 5 H GLY 5 -7.691 -4.640 3.813 42 HA2 GLY 5 HA2 GLY 5 -6.916 -6.849 2.851 43 HA3 GLY 5 HA3 GLY 5 -7.705 -6.362 1.363 44 H TRP 6 H TRP 6 -6.972 -3.458 1.262 45 HA TRP 6 HA TRP 6 -4.172 -3.677 0.537 46 HB2 TRP 6 HB2 TRP 6 -6.132 -1.433 0.878 47 HB3 TRP 6 HB3 TRP 6 -4.526 -1.244 0.210 48 HD1 TRP 6 HD1 TRP 6 -7.911 -2.085 -0.963 49 HE1 TRP 6 HE1 TRP 6 -7.788 -2.098 -3.446 50 HE3 TRP 6 HE3 TRP 6 -2.918 -2.046 -1.502 51 HZ2 TRP 6 HZ2 TRP 6 -5.761 -2.799 -5.526 52 HZ3 TRP 6 HZ3 TRP 6 -1.917 -2.100 -3.682 53 HH2 TRP 6 HH2 TRP 6 -3.284 -2.578 -5.760 54 H GLU 7 H GLU 7 -2.427 -3.086 1.595 55 HA GLU 7 HA GLU 7 -2.563 -1.760 4.270 56 HB2 GLU 7 HB2 GLU 7 -2.622 -4.268 4.382 57 HB3 GLU 7 HB3 GLU 7 -1.089 -4.305 3.502 58 HG2 GLU 7 HG2 GLU 7 -0.016 -3.063 5.397 59 HG3 GLU 7 HG3 GLU 7 -1.565 -3.098 6.263 60 H LYS 8 H LYS 8 -0.729 -0.460 4.750 61 HA LYS 8 HA LYS 8 0.792 0.517 2.573 62 HB2 LYS 8 HB2 LYS 8 0.189 1.727 4.672 63 HB3 LYS 8 HB3 LYS 8 1.448 0.831 5.527 64 HG2 LYS 8 HG2 LYS 8 3.177 1.830 4.048 65 HG3 LYS 8 HG3 LYS 8 1.933 2.604 3.075 66 HD2 LYS 8 HD2 LYS 8 2.199 3.185 6.055 67 HD3 LYS 8 HD3 LYS 8 3.125 4.074 4.829 68 HE2 LYS 8 HE2 LYS 8 1.077 4.754 3.681 69 HE3 LYS 8 HE3 LYS 8 0.092 3.790 4.778 70 HZ1 LYS 8 HZ1 LYS 8 0.029 6.095 5.309 71 HZ2 LYS 8 HZ2 LYS 8 0.652 5.245 6.560 72 HZ3 LYS 8 HZ3 LYS 8 1.655 6.160 5.602 73 H ARG 9 H ARG 9 2.923 0.378 1.997 74 HA ARG 9 HA ARG 9 4.526 -1.905 3.019 75 HB2 ARG 9 HB2 ARG 9 2.698 -2.506 1.217 76 HB3 ARG 9 HB3 ARG 9 3.707 -1.622 0.090 77 HG2 ARG 9 HG2 ARG 9 4.145 -3.962 -0.134 78 HG3 ARG 9 HG3 ARG 9 5.563 -3.234 0.579 79 HD2 ARG 9 HD2 ARG 9 5.272 -5.219 1.786 80 HD3 ARG 9 HD3 ARG 9 4.679 -3.990 2.884 81 HE ARG 9 HE ARG 9 3.045 -5.936 1.309 82 HH11 ARG 9 HH11 ARG 9 2.637 -3.499 3.986 83 HH12 ARG 9 HH12 ARG 9 1.645 -4.712 4.786 84 HH21 ARG 9 HH21 ARG 9 1.540 -7.132 2.598 85 HH22 ARG 9 HH22 ARG 9 0.996 -6.304 4.078 86 H MET 10 H MET 10 6.770 -1.884 2.236 87 HA MET 10 HA MET 10 7.631 0.774 1.207 88 HB2 MET 10 HB2 MET 10 7.728 0.686 3.715 89 HB3 MET 10 HB3 MET 10 8.866 -0.661 3.574 90 HG2 MET 10 HG2 MET 10 10.243 0.975 2.052 91 HG3 MET 10 HG3 MET 10 9.250 2.233 2.736 92 HE1 MET 10 HE1 MET 10 8.831 1.633 5.738 93 HE2 MET 10 HE2 MET 10 10.280 2.380 6.447 94 HE3 MET 10 HE3 MET 10 9.442 3.179 5.099 95 H PHE 11 H PHE 11 9.120 0.756 -0.286 96 HA PHE 11 HA PHE 11 10.298 -1.692 -1.325 97 HB2 PHE 11 HB2 PHE 11 10.529 1.249 -1.995 98 HB3 PHE 11 HB3 PHE 11 11.328 -0.034 -2.900 99 HD1 PHE 11 HD1 PHE 11 9.730 -2.020 -3.696 100 HD2 PHE 11 HD2 PHE 11 8.352 1.950 -2.670 101 HE1 PHE 11 HE1 PHE 11 7.770 -2.305 -5.184 102 HE2 PHE 11 HE2 PHE 11 6.519 1.723 -4.310 103 HZ PHE 11 HZ PHE 11 6.201 -0.418 -5.530 104 H ARG 12 H ARG 12 11.684 -2.547 0.141 105 HA ARG 12 HA ARG 12 13.715 -1.091 1.557 106 HB2 ARG 12 HB2 ARG 12 13.857 -3.998 0.664 107 HB3 ARG 12 HB3 ARG 12 14.712 -3.239 2.005 108 HG2 ARG 12 HG2 ARG 12 11.777 -3.976 1.814 109 HG3 ARG 12 HG3 ARG 12 12.984 -4.510 2.980 110 HD2 ARG 12 HD2 ARG 12 13.067 -2.053 3.778 111 HD3 ARG 12 HD3 ARG 12 11.597 -1.795 2.834 112 HE ARG 12 HE ARG 12 11.869 -3.115 5.380 113 HH11 ARG 12 HH21 ARG 12 9.650 -3.053 2.580 114 HH12 ARG 12 HH22 ARG 12 8.512 -4.052 3.433 115 HH21 ARG 12 HH11 ARG 12 10.252 -4.200 6.397 116 HH22 ARG 12 HH12 ARG 12 8.765 -4.533 5.570 117 H SER 13 H SER 13 16.006 -1.129 1.160 118 HA SER 13 HA SER 13 17.776 -0.436 0.025 119 HB2 SER 13 HB2 SER 13 17.670 -2.635 -1.114 120 HB3 SER 13 HB3 SER 13 16.766 -1.868 -2.442 121 HG SER 13 HG SER 13 18.586 -0.279 -2.363 122 H ASN 14 H ASN 14 14.702 0.829 -0.944 123 HA ASN 14 HA ASN 14 16.298 3.171 -1.795 124 HB2 ASN 14 HB2 ASN 14 15.186 3.689 -3.716 125 HB3 ASN 14 HB3 ASN 14 15.432 1.957 -3.850 126 HD21 ASN 14 HD21 ASN 14 13.810 2.459 -5.579 127 H GLY 15 H GLY 15 13.407 2.018 -0.150 128 HA2 GLY 15 HA2 GLY 15 12.701 3.008 1.852 129 HA3 GLY 15 HA3 GLY 15 13.507 4.522 1.425 130 H THR 16 H THR 16 11.749 3.431 -1.267 131 HA THR 16 HA THR 16 9.674 5.469 -0.963 132 HB THR 16 HB THR 16 10.051 3.224 -2.974 133 HG1 THR 16 HG1 THR 16 11.571 4.990 -2.703 134 HG21 THR 16 HG21 THR 16 7.674 3.931 -3.100 135 HG22 THR 16 HG22 THR 16 8.188 5.635 -3.157 136 HG23 THR 16 HG23 THR 16 8.578 4.523 -4.484 137 H VAL 17 H VAL 17 7.349 4.844 -1.150 138 HA VAL 17 HA VAL 17 6.592 2.555 0.537 139 HB VAL 17 HB VAL 17 6.138 5.456 1.286 140 HG11 VAL 17 HG11 VAL 17 3.901 4.420 1.461 141 HG12 VAL 17 HG12 VAL 17 4.594 3.077 2.393 142 HG13 VAL 17 HG13 VAL 17 4.590 4.724 3.054 143 HG21 VAL 17 HG21 VAL 17 6.927 4.671 3.497 144 HG22 VAL 17 HG22 VAL 17 7.012 3.005 2.882 145 HG23 VAL 17 HG23 VAL 17 8.116 4.259 2.254 146 H TYR 18 H TYR 18 4.527 1.913 0.212 147 HA TYR 18 HA TYR 18 2.722 3.117 -1.753 148 HB2 TYR 18 HB2 TYR 18 2.945 1.484 -3.428 149 HB3 TYR 18 HB3 TYR 18 4.539 2.101 -3.136 150 HD1 TYR 18 HD2 TYR 18 5.996 0.631 -1.369 151 HD2 TYR 18 HD1 TYR 18 2.690 -0.791 -3.759 152 HE1 TYR 18 HE2 TYR 18 6.908 -1.677 -1.257 153 HE2 TYR 18 HE1 TYR 18 3.606 -3.103 -3.618 154 HH TYR 18 HH TYR 18 5.421 -4.393 -2.980 155 H TYR 19 H TYR 19 1.191 0.786 -2.298 156 HA TYR 19 HA TYR 19 0.595 -0.365 0.351 157 HB2 TYR 19 HB2 TYR 19 -1.109 1.358 -1.369 158 HB3 TYR 19 HB3 TYR 19 -1.850 -0.152 -0.917 159 HD1 TYR 19 HD2 TYR 19 -0.030 2.726 0.574 160 HD2 TYR 19 HD1 TYR 19 -2.850 -0.425 1.159 161 HE1 TYR 19 HE2 TYR 19 -0.756 3.769 2.743 162 HE2 TYR 19 HE1 TYR 19 -3.591 0.572 3.320 163 HH TYR 19 HH TYR 19 -2.313 3.738 4.490 164 H PHE 20 H PHE 20 -0.302 -2.352 0.306 165 HA PHE 20 HA PHE 20 -0.176 -3.897 -2.233 166 HB2 PHE 20 HB2 PHE 20 1.904 -3.937 -0.909 167 HB3 PHE 20 HB3 PHE 20 1.021 -4.524 0.493 168 HD1 PHE 20 HD2 PHE 20 2.388 -5.380 -2.816 169 HD2 PHE 20 HD1 PHE 20 0.167 -6.853 0.568 170 HE1 PHE 20 HE2 PHE 20 2.674 -7.714 -3.640 171 HE2 PHE 20 HE1 PHE 20 0.538 -9.196 -0.220 172 HZ PHE 20 HZ PHE 20 1.759 -9.615 -2.328 173 H ASN 21 H ASN 21 -1.885 -5.187 -2.499 174 HA ASN 21 HA ASN 21 -3.866 -5.457 -0.314 175 HB2 ASN 21 HB2 ASN 21 -4.546 -4.803 -2.670 176 HB3 ASN 21 HB3 ASN 21 -4.032 -6.381 -3.186 177 HD21 ASN 21 HD22 ASN 21 -6.641 -4.554 -1.717 178 HD22 ASN 21 HD21 ASN 21 -7.608 -5.977 -1.362 179 H HIS 22 H HIS 22 -2.976 -6.980 1.163 180 HA HIS 22 HA HIS 22 -1.700 -9.383 0.050 181 HB2 HIS 22 HB2 HIS 22 -1.418 -10.088 2.377 182 HB3 HIS 22 HB3 HIS 22 -0.750 -8.514 2.023 183 HD2 HIS 22 HD2 HIS 22 -1.373 -6.573 3.540 184 HE1 HIS 22 HE1 HIS 22 -4.153 -8.611 6.027 185 HE2 HIS 22 HE2 HIS 22 -2.572 -6.574 5.837 186 H ILE 23 H ILE 23 -4.898 -8.657 0.077 187 HA ILE 23 HA ILE 23 -5.828 -11.404 0.672 188 HB ILE 23 HB ILE 23 -7.074 -8.715 0.097 189 HG12 ILE 23 HG12 ILE 23 -7.255 -10.773 2.336 190 HG13 ILE 23 HG13 ILE 23 -6.477 -9.195 2.389 191 HG21 ILE 23 HG21 ILE 23 -8.333 -10.227 -1.336 192 HG22 ILE 23 HG22 ILE 23 -8.637 -11.303 0.054 193 HG23 ILE 23 HG23 ILE 23 -9.290 -9.639 0.019 194 HD11 ILE 23 HD11 ILE 23 -8.499 -8.968 3.603 195 HD12 ILE 23 HD12 ILE 23 -8.831 -8.183 2.048 196 HD13 ILE 23 HD13 ILE 23 -9.448 -9.815 2.372 197 H THR 24 H THR 24 -4.994 -9.352 -2.022 198 HA THR 24 HA THR 24 -5.651 -11.537 -3.990 199 HB THR 24 HB THR 24 -5.749 -9.735 -5.683 200 HG1 THR 24 HG1 THR 24 -5.582 -8.030 -3.440 201 HG21 THR 24 HG21 THR 24 -7.856 -10.350 -4.478 202 HG22 THR 24 HG22 THR 24 -7.532 -9.053 -3.303 203 HG23 THR 24 HG23 THR 24 -7.811 -8.653 -5.006 204 H ASN 25 H ASN 25 -3.096 -9.566 -2.820 205 HA ASN 25 HA ASN 25 -0.874 -9.556 -3.017 206 HB2 ASN 25 HB2 ASN 25 -1.002 -11.238 -5.545 207 HB3 ASN 25 HB3 ASN 25 0.435 -10.783 -4.650 208 HD21 ASN 25 HD22 ASN 25 -2.410 -12.821 -4.612 209 HD22 ASN 25 HD21 ASN 25 -1.804 -13.898 -3.334 210 H ALA 26 H ALA 26 -3.054 -7.896 -4.723 211 HA ALA 26 HA ALA 26 -1.474 -6.700 -6.801 212 HB1 ALA 26 HB1 ALA 26 -3.267 -5.058 -6.891 213 HB2 ALA 26 HB2 ALA 26 -3.975 -6.663 -6.635 214 HB3 ALA 26 HB3 ALA 26 -3.833 -5.521 -5.278 215 H SER 27 H SER 27 -0.893 -4.319 -6.888 216 HA SER 27 HA SER 27 -0.065 -3.059 -4.327 217 HB2 SER 27 HB2 SER 27 2.033 -2.331 -5.429 218 HB3 SER 27 HB3 SER 27 1.963 -4.036 -5.016 219 HG SER 27 HG SER 27 1.262 -3.000 -7.582 220 H GLN 28 H GLN 28 -0.205 -0.814 -4.347 221 HA GLN 28 HA GLN 28 -0.448 0.642 -6.876 222 HB2 GLN 28 HB2 GLN 28 -2.819 0.060 -5.453 223 HB3 GLN 28 HB3 GLN 28 -2.393 1.656 -4.879 224 HG2 GLN 28 HG2 GLN 28 -2.846 0.810 -7.773 225 HG3 GLN 28 HG3 GLN 28 -3.952 1.736 -6.767 226 HE21 GLN 28 HE22 GLN 28 -3.951 4.071 -7.251 227 HE22 GLN 28 HE21 GLN 28 -2.490 4.743 -7.952 228 H PHE 29 H PHE 29 0.126 2.926 -6.524 229 HA PHE 29 HA PHE 29 1.759 3.294 -4.060 230 HB2 PHE 29 HB2 PHE 29 1.698 4.730 -6.700 231 HB3 PHE 29 HB3 PHE 29 2.493 5.389 -5.282 232 HD1 PHE 29 HD2 PHE 29 2.661 1.635 -5.956 233 HD2 PHE 29 HD1 PHE 29 4.679 5.478 -6.242 234 HE1 PHE 29 HE2 PHE 29 4.654 0.543 -6.764 235 HE2 PHE 29 HE1 PHE 29 6.732 4.305 -6.951 236 HZ PHE 29 HZ PHE 29 6.722 1.839 -7.247 237 H GLU 30 H GLU 30 -1.410 4.291 -5.249 238 HA GLU 30 HA GLU 30 -1.562 6.529 -3.369 239 HB2 GLU 30 HB2 GLU 30 -3.822 6.707 -3.890 240 HB3 GLU 30 HB3 GLU 30 -3.057 6.249 -5.409 241 HG2 GLU 30 HG2 GLU 30 -3.732 3.834 -4.878 242 HG3 GLU 30 HG3 GLU 30 -4.632 4.464 -3.496 243 H ARG 31 H ARG 31 -2.802 6.460 -1.384 244 HA ARG 31 HA ARG 31 -2.467 3.901 0.054 245 HB2 ARG 31 HB2 ARG 31 -2.848 6.712 1.146 246 HB3 ARG 31 HB3 ARG 31 -2.657 5.228 2.072 247 HG2 ARG 31 HG2 ARG 31 -0.495 5.926 2.130 248 HG3 ARG 31 HG3 ARG 31 -0.438 4.924 0.691 249 HD2 ARG 31 HD2 ARG 31 -1.117 7.532 -0.191 250 HD3 ARG 31 HD3 ARG 31 0.117 7.732 1.054 251 HE ARG 31 HE ARG 31 0.391 6.279 -1.554 252 HH11 ARG 31 HH11 ARG 31 2.148 7.278 1.323 253 HH12 ARG 31 HH12 ARG 31 3.669 6.776 0.610 254 HH21 ARG 31 HH21 ARG 31 2.161 5.707 -2.313 255 HH22 ARG 31 HH22 ARG 31 3.682 5.657 -1.431 256 HA PRO 32 HA PRO 32 -7.036 3.120 -0.139 257 HB2 PRO 32 HB2 PRO 32 -5.603 0.849 1.233 258 HB3 PRO 32 HB3 PRO 32 -7.233 0.808 0.461 259 HG2 PRO 32 HG2 PRO 32 -5.453 0.204 -1.246 260 HG3 PRO 32 HG3 PRO 32 -6.319 1.636 -1.600 261 HD2 PRO 32 HD2 PRO 32 -3.589 1.722 -0.370 262 HD3 PRO 32 HD3 PRO 32 -4.253 2.621 -1.761 263 H SER 33 H SER 33 -4.839 3.145 2.663 264 HA SER 33 HA SER 33 -7.061 4.152 4.389 265 HB2 SER 33 HB2 SER 33 -6.678 1.749 4.800 266 HB3 SER 33 HB3 SER 33 -4.981 2.090 5.197 267 HG SER 33 HG SER 33 -5.873 3.644 6.725 268 H GLY 34 H GLY 34 -4.678 5.547 3.002 269 HA2 GLY 34 HA2 GLY 34 -3.493 7.489 3.597 270 HA3 GLY 34 HA3 GLY 34 -3.856 7.200 5.296 271 H1 NAG 101 H1 NAG 35 11.032 2.144 -4.549 272 H2 NAG 101 H2 NAG 35 12.023 3.115 -7.288 273 H3 NAG 101 H3 NAG 35 9.156 2.537 -6.397 274 H4 NAG 101 H4 NAG 35 10.943 1.079 -8.416 275 H5 NAG 101 H5 NAG 35 9.838 0.238 -5.713 276 H61 NAG 101 H61 NAG 35 9.948 -1.784 -7.053 277 H62 NAG 101 H62 NAG 35 11.505 -1.294 -7.750 278 H81 NAG 101 H2M NAG 35 10.790 7.667 -6.790 279 H82 NAG 101 H3M NAG 35 11.662 7.007 -5.390 280 H83 NAG 101 H1M NAG 35 9.888 6.877 -5.479 281 HN2 NAG 101 H2N NAG 35 10.995 4.559 -4.993 282 HO3 NAG 101 H3O NAG 35 10.024 4.161 -8.292 283 HO4 NAG 101 H4O NAG 35 8.621 1.382 -8.701 284 HO6 NAG 101 H6O NAG 35 12.172 -1.184 -5.416 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -11.108 1.022 4.848 2 H2 LYS 1 H2 LYS 1 -12.156 -0.248 4.691 3 H3 LYS 1 H3 LYS 1 -12.362 0.901 5.871 4 HA LYS 1 HA LYS 1 -13.956 1.331 4.135 5 HB2 LYS 1 HB2 LYS 1 -11.640 3.301 4.009 6 HB3 LYS 1 HB3 LYS 1 -13.291 3.619 3.482 7 HG2 LYS 1 HG2 LYS 1 -14.115 3.508 5.764 8 HG3 LYS 1 HG3 LYS 1 -12.570 2.925 6.361 9 HD2 LYS 1 HD2 LYS 1 -11.846 5.315 5.059 10 HD3 LYS 1 HD3 LYS 1 -13.435 5.680 5.722 11 HE2 LYS 1 HE2 LYS 1 -11.868 6.326 7.383 12 HE3 LYS 1 HE3 LYS 1 -12.587 4.819 7.966 13 HZ1 LYS 1 HZ1 LYS 1 -9.938 5.060 6.604 14 HZ2 LYS 1 HZ2 LYS 1 -10.176 4.753 8.207 15 HZ3 LYS 1 HZ3 LYS 1 -10.589 3.655 7.042 16 H LEU 2 H LEU 2 -10.603 1.544 2.866 17 HA LEU 2 HA LEU 2 -11.149 1.177 0.025 18 HB2 LEU 2 HB2 LEU 2 -8.779 1.150 1.708 19 HB3 LEU 2 HB3 LEU 2 -8.822 1.015 -0.055 20 HG LEU 2 HG LEU 2 -10.657 3.163 0.519 21 HD11 LEU 2 HD11 LEU 2 -9.883 3.730 2.576 22 HD12 LEU 2 HD12 LEU 2 -8.229 3.313 2.222 23 HD13 LEU 2 HD13 LEU 2 -8.960 4.798 1.514 24 HD21 LEU 2 HD21 LEU 2 -9.427 2.861 -1.539 25 HD22 LEU 2 HD22 LEU 2 -9.300 4.493 -0.864 26 HD23 LEU 2 HD23 LEU 2 -7.948 3.369 -0.727 27 HA PRO 3 HA PRO 3 -11.921 -2.882 -0.489 28 HB2 PRO 3 HB2 PRO 3 -9.401 -3.173 -2.159 29 HB3 PRO 3 HB3 PRO 3 -11.046 -3.764 -2.537 30 HG2 PRO 3 HG2 PRO 3 -10.201 -1.476 -3.655 31 HG3 PRO 3 HG3 PRO 3 -11.849 -1.552 -2.945 32 HD2 PRO 3 HD2 PRO 3 -9.363 -0.330 -1.775 33 HD3 PRO 3 HD3 PRO 3 -10.977 0.295 -1.731 34 HA PRO 4 HA PRO 4 -10.177 -5.378 2.467 35 HB2 PRO 4 HB2 PRO 4 -10.639 -7.996 1.658 36 HB3 PRO 4 HB3 PRO 4 -11.889 -6.869 2.266 37 HG2 PRO 4 HG2 PRO 4 -11.168 -7.487 -0.610 38 HG3 PRO 4 HG3 PRO 4 -12.799 -7.386 0.130 39 HD2 PRO 4 HD2 PRO 4 -11.772 -5.324 -1.257 40 HD3 PRO 4 HD3 PRO 4 -12.693 -5.017 0.244 41 H GLY 5 H GLY 5 -8.156 -5.600 2.985 42 HA2 GLY 5 HA2 GLY 5 -6.107 -6.970 2.801 43 HA3 GLY 5 HA3 GLY 5 -6.236 -6.833 1.080 44 H TRP 6 H TRP 6 -6.926 -3.575 1.535 45 HA TRP 6 HA TRP 6 -4.182 -3.128 0.811 46 HB2 TRP 6 HB2 TRP 6 -6.266 -1.051 1.494 47 HB3 TRP 6 HB3 TRP 6 -4.718 -0.711 0.891 48 HD1 TRP 6 HD1 TRP 6 -7.981 -1.117 -0.248 49 HE1 TRP 6 HE1 TRP 6 -7.926 -0.843 -2.814 50 HE3 TRP 6 HE3 TRP 6 -3.046 -1.817 -1.094 51 HZ2 TRP 6 HZ2 TRP 6 -6.120 -1.496 -5.000 52 HZ3 TRP 6 HZ3 TRP 6 -2.145 -1.745 -3.378 53 HH2 TRP 6 HH2 TRP 6 -3.659 -1.736 -5.359 54 H GLU 7 H GLU 7 -2.416 -2.652 1.811 55 HA GLU 7 HA GLU 7 -2.448 -1.069 4.296 56 HB2 GLU 7 HB2 GLU 7 -2.585 -3.627 4.777 57 HB3 GLU 7 HB3 GLU 7 -0.893 -3.678 4.312 58 HG2 GLU 7 HG2 GLU 7 -2.057 -1.859 6.481 59 HG3 GLU 7 HG3 GLU 7 -1.466 -3.485 6.795 60 H LYS 8 H LYS 8 -0.448 -0.104 4.812 61 HA LYS 8 HA LYS 8 1.015 0.942 2.577 62 HB2 LYS 8 HB2 LYS 8 0.559 2.383 4.325 63 HB3 LYS 8 HB3 LYS 8 1.014 1.288 5.579 64 HG2 LYS 8 HG2 LYS 8 3.028 2.527 3.657 65 HG3 LYS 8 HG3 LYS 8 2.465 3.334 5.114 66 HD2 LYS 8 HD2 LYS 8 4.235 0.884 4.955 67 HD3 LYS 8 HD3 LYS 8 4.547 2.450 5.637 68 HE2 LYS 8 HE2 LYS 8 4.305 1.150 7.505 69 HE3 LYS 8 HE3 LYS 8 2.731 1.939 7.403 70 HZ1 LYS 8 HZ1 LYS 8 2.929 -0.651 7.780 71 HZ2 LYS 8 HZ2 LYS 8 1.722 -0.117 6.829 72 HZ3 LYS 8 HZ3 LYS 8 3.025 -0.693 6.118 73 H ARG 9 H ARG 9 2.938 0.448 1.717 74 HA ARG 9 HA ARG 9 4.521 -1.798 2.891 75 HB2 ARG 9 HB2 ARG 9 2.662 -2.333 1.078 76 HB3 ARG 9 HB3 ARG 9 3.791 -1.607 -0.042 77 HG2 ARG 9 HG2 ARG 9 4.274 -3.829 -0.263 78 HG3 ARG 9 HG3 ARG 9 5.494 -3.397 0.910 79 HD2 ARG 9 HD2 ARG 9 2.843 -4.832 1.411 80 HD3 ARG 9 HD3 ARG 9 4.434 -5.550 1.400 81 HE ARG 9 HE ARG 9 4.918 -4.626 3.510 82 HH11 ARG 9 HH11 ARG 9 1.528 -3.665 2.686 83 HH12 ARG 9 HH12 ARG 9 1.294 -3.405 4.423 84 HH21 ARG 9 HH21 ARG 9 4.190 -4.249 5.670 85 HH22 ARG 9 HH22 ARG 9 2.521 -3.642 5.803 86 H MET 10 H MET 10 6.761 -1.918 1.995 87 HA MET 10 HA MET 10 7.731 0.707 0.997 88 HB2 MET 10 HB2 MET 10 7.785 0.546 3.529 89 HB3 MET 10 HB3 MET 10 8.932 -0.792 3.347 90 HG2 MET 10 HG2 MET 10 10.372 0.826 1.971 91 HG3 MET 10 HG3 MET 10 9.296 2.104 2.473 92 HE1 MET 10 HE1 MET 10 9.322 3.299 4.704 93 HE2 MET 10 HE2 MET 10 8.616 1.831 5.424 94 HE3 MET 10 HE3 MET 10 10.006 2.626 6.199 95 H PHE 11 H PHE 11 9.496 0.668 -0.298 96 HA PHE 11 HA PHE 11 10.348 -1.929 -1.356 97 HB2 PHE 11 HB2 PHE 11 10.815 0.944 -2.152 98 HB3 PHE 11 HB3 PHE 11 11.494 -0.431 -3.008 99 HD1 PHE 11 HD1 PHE 11 9.838 -2.307 -3.766 100 HD2 PHE 11 HD2 PHE 11 8.564 1.709 -2.755 101 HE1 PHE 11 HE1 PHE 11 7.889 -2.521 -5.291 102 HE2 PHE 11 HE2 PHE 11 6.770 1.542 -4.421 103 HZ PHE 11 HZ PHE 11 6.397 -0.582 -5.656 104 H ARG 12 H ARG 12 11.701 -2.882 0.058 105 HA ARG 12 HA ARG 12 13.981 -1.922 1.343 106 HB2 ARG 12 HB2 ARG 12 14.865 -4.248 1.101 107 HB3 ARG 12 HB3 ARG 12 13.206 -4.156 1.663 108 HG2 ARG 12 HG2 ARG 12 13.098 -5.922 0.186 109 HG3 ARG 12 HG3 ARG 12 12.499 -4.604 -0.795 110 HD2 ARG 12 HD2 ARG 12 15.076 -4.476 -1.584 111 HD3 ARG 12 HD3 ARG 12 15.120 -6.099 -0.935 112 HE ARG 12 HE ARG 12 13.868 -6.847 -2.728 113 HH11 ARG 12 HH11 ARG 12 13.650 -3.305 -2.784 114 HH12 ARG 12 HH12 ARG 12 12.873 -3.319 -4.356 115 HH21 ARG 12 HH21 ARG 12 12.866 -6.723 -4.755 116 HH22 ARG 12 HH22 ARG 12 12.456 -5.150 -5.384 117 H SER 13 H SER 13 16.157 -1.697 0.801 118 HA SER 13 HA SER 13 17.963 -1.097 -0.324 119 HB2 SER 13 HB2 SER 13 18.542 -1.866 -2.484 120 HB3 SER 13 HB3 SER 13 17.667 -3.163 -1.652 121 HG SER 13 HG SER 13 15.746 -2.177 -2.753 122 H ASN 14 H ASN 14 14.959 0.419 -1.210 123 HA ASN 14 HA ASN 14 16.689 2.755 -1.779 124 HB2 ASN 14 HB2 ASN 14 15.576 3.537 -3.657 125 HB3 ASN 14 HB3 ASN 14 15.920 1.844 -3.969 126 HD21 ASN 14 HD21 ASN 14 14.323 2.019 -5.676 127 H GLY 15 H GLY 15 13.672 1.612 -0.338 128 HA2 GLY 15 HA2 GLY 15 12.922 2.502 1.701 129 HA3 GLY 15 HA3 GLY 15 13.812 4.000 1.416 130 H THR 16 H THR 16 12.128 3.132 -1.382 131 HA THR 16 HA THR 16 10.157 5.237 -1.227 132 HB THR 16 HB THR 16 10.284 2.796 -3.032 133 HG1 THR 16 HG1 THR 16 12.066 3.841 -3.225 134 HG21 THR 16 HG21 THR 16 8.071 3.771 -3.293 135 HG22 THR 16 HG22 THR 16 8.772 5.403 -3.443 136 HG23 THR 16 HG23 THR 16 9.050 4.168 -4.691 137 H VAL 17 H VAL 17 7.759 4.751 -1.413 138 HA VAL 17 HA VAL 17 6.847 2.575 0.333 139 HB VAL 17 HB VAL 17 6.565 5.513 0.989 140 HG11 VAL 17 HG11 VAL 17 4.659 3.340 1.962 141 HG12 VAL 17 HG12 VAL 17 4.807 4.970 2.648 142 HG13 VAL 17 HG13 VAL 17 4.228 4.775 0.998 143 HG21 VAL 17 HG21 VAL 17 7.035 3.004 2.665 144 HG22 VAL 17 HG22 VAL 17 8.310 4.132 2.117 145 HG23 VAL 17 HG23 VAL 17 7.078 4.679 3.262 146 H TYR 18 H TYR 18 4.725 2.064 0.029 147 HA TYR 18 HA TYR 18 3.026 3.299 -1.969 148 HB2 TYR 18 HB2 TYR 18 3.107 1.570 -3.590 149 HB3 TYR 18 HB3 TYR 18 4.731 2.120 -3.357 150 HD1 TYR 18 HD1 TYR 18 6.138 0.662 -1.519 151 HD2 TYR 18 HD2 TYR 18 2.771 -0.702 -3.863 152 HE1 TYR 18 HE1 TYR 18 6.983 -1.645 -1.358 153 HE2 TYR 18 HE2 TYR 18 3.643 -3.048 -3.679 154 HH TYR 18 HH TYR 18 6.722 -3.801 -2.086 155 H TYR 19 H TYR 19 1.344 1.029 -2.392 156 HA TYR 19 HA TYR 19 0.772 -0.037 0.306 157 HB2 TYR 19 HB2 TYR 19 -0.948 1.692 -1.400 158 HB3 TYR 19 HB3 TYR 19 -1.706 0.211 -0.873 159 HD1 TYR 19 HD1 TYR 19 0.316 3.034 0.497 160 HD2 TYR 19 HD2 TYR 19 -2.673 0.052 1.252 161 HE1 TYR 19 HE1 TYR 19 -0.337 4.200 2.651 162 HE2 TYR 19 HE2 TYR 19 -3.388 1.248 3.308 163 HH TYR 19 HH TYR 19 -3.374 3.589 3.985 164 H PHE 20 H PHE 20 -0.276 -1.962 0.332 165 HA PHE 20 HA PHE 20 -0.182 -3.597 -2.161 166 HB2 PHE 20 HB2 PHE 20 1.873 -3.631 -0.809 167 HB3 PHE 20 HB3 PHE 20 0.958 -4.165 0.595 168 HD1 PHE 20 HD1 PHE 20 2.132 -5.130 -2.802 169 HD2 PHE 20 HD2 PHE 20 0.429 -6.491 0.907 170 HE1 PHE 20 HE1 PHE 20 2.458 -7.491 -3.522 171 HE2 PHE 20 HE2 PHE 20 0.829 -8.858 0.215 172 HZ PHE 20 HZ PHE 20 1.819 -9.351 -2.000 173 H ASN 21 H ASN 21 -1.863 -4.882 -2.382 174 HA ASN 21 HA ASN 21 -3.862 -5.064 -0.217 175 HB2 ASN 21 HB2 ASN 21 -4.578 -4.561 -2.563 176 HB3 ASN 21 HB3 ASN 21 -3.952 -6.139 -3.034 177 HD21 ASN 21 HD22 ASN 21 -6.668 -4.437 -1.540 178 HD22 ASN 21 HD21 ASN 21 -7.469 -5.937 -1.048 179 H HIS 22 H HIS 22 -2.980 -6.436 1.357 180 HA HIS 22 HA HIS 22 -1.403 -8.757 0.633 181 HB2 HIS 22 HB2 HIS 22 -1.368 -9.211 3.052 182 HB3 HIS 22 HB3 HIS 22 -0.904 -7.570 2.646 183 HD2 HIS 22 HD2 HIS 22 -1.818 -5.860 4.275 184 HE1 HIS 22 HE1 HIS 22 -5.436 -7.771 5.461 185 HE2 HIS 22 HE2 HIS 22 -3.961 -5.706 5.794 186 H ILE 23 H ILE 23 -4.660 -8.502 0.214 187 HA ILE 23 HA ILE 23 -5.204 -11.344 0.954 188 HB ILE 23 HB ILE 23 -6.821 -8.847 0.591 189 HG12 ILE 23 HG12 ILE 23 -6.711 -11.123 2.631 190 HG13 ILE 23 HG13 ILE 23 -6.024 -9.514 2.814 191 HG21 ILE 23 HG21 ILE 23 -8.921 -9.977 0.529 192 HG22 ILE 23 HG22 ILE 23 -7.986 -10.354 -0.906 193 HG23 ILE 23 HG23 ILE 23 -8.112 -11.569 0.398 194 HD11 ILE 23 HD11 ILE 23 -8.377 -8.584 2.777 195 HD12 ILE 23 HD12 ILE 23 -8.969 -10.259 2.821 196 HD13 ILE 23 HD13 ILE 23 -7.993 -9.629 4.155 197 H THR 24 H THR 24 -4.900 -9.167 -1.754 198 HA THR 24 HA THR 24 -5.388 -11.422 -3.683 199 HB THR 24 HB THR 24 -5.597 -9.662 -5.394 200 HG1 THR 24 HG1 THR 24 -5.446 -7.889 -3.204 201 HG21 THR 24 HG21 THR 24 -7.674 -8.610 -4.678 202 HG22 THR 24 HG22 THR 24 -7.661 -10.309 -4.157 203 HG23 THR 24 HG23 THR 24 -7.353 -9.010 -2.981 204 H ASN 25 H ASN 25 -2.889 -9.289 -2.536 205 HA ASN 25 HA ASN 25 -0.689 -9.204 -2.791 206 HB2 ASN 25 HB2 ASN 25 -0.776 -10.970 -5.259 207 HB3 ASN 25 HB3 ASN 25 0.645 -10.441 -4.379 208 HD21 ASN 25 HD22 ASN 25 -2.123 -12.585 -4.286 209 HD22 ASN 25 HD21 ASN 25 -1.467 -13.613 -2.992 210 H ALA 26 H ALA 26 -3.003 -7.722 -4.489 211 HA ALA 26 HA ALA 26 -1.543 -6.533 -6.656 212 HB1 ALA 26 HB1 ALA 26 -4.050 -6.549 -6.378 213 HB2 ALA 26 HB2 ALA 26 -3.861 -5.325 -5.097 214 HB3 ALA 26 HB3 ALA 26 -3.367 -4.954 -6.753 215 H SER 27 H SER 27 -1.050 -4.105 -6.774 216 HA SER 27 HA SER 27 -0.132 -2.854 -4.252 217 HB2 SER 27 HB2 SER 27 1.974 -2.182 -5.357 218 HB3 SER 27 HB3 SER 27 1.872 -3.880 -4.891 219 HG SER 27 HG SER 27 1.478 -4.401 -7.042 220 H GLN 28 H GLN 28 -0.004 -0.635 -4.374 221 HA GLN 28 HA GLN 28 -0.396 0.787 -6.908 222 HB2 GLN 28 HB2 GLN 28 -2.615 0.398 -5.072 223 HB3 GLN 28 HB3 GLN 28 -2.125 2.067 -4.954 224 HG2 GLN 28 HG2 GLN 28 -2.702 0.707 -7.620 225 HG3 GLN 28 HG3 GLN 28 -3.926 1.511 -6.645 226 HE21 GLN 28 HE22 GLN 28 -4.303 3.037 -8.485 227 HE22 GLN 28 HE21 GLN 28 -3.124 4.327 -8.667 228 H PHE 29 H PHE 29 0.339 3.015 -6.665 229 HA PHE 29 HA PHE 29 2.011 3.471 -4.228 230 HB2 PHE 29 HB2 PHE 29 2.078 4.757 -6.946 231 HB3 PHE 29 HB3 PHE 29 2.842 5.457 -5.529 232 HD1 PHE 29 HD2 PHE 29 2.911 1.679 -6.089 233 HD2 PHE 29 HD1 PHE 29 5.101 5.427 -6.322 234 HE1 PHE 29 HE2 PHE 29 4.882 0.498 -6.830 235 HE2 PHE 29 HE1 PHE 29 7.116 4.172 -6.969 236 HZ PHE 29 HZ PHE 29 7.018 1.710 -7.269 237 H GLU 30 H GLU 30 -1.048 4.294 -5.699 238 HA GLU 30 HA GLU 30 -1.456 6.570 -3.966 239 HB2 GLU 30 HB2 GLU 30 -2.666 6.370 -6.068 240 HB3 GLU 30 HB3 GLU 30 -3.546 4.964 -5.446 241 HG2 GLU 30 HG2 GLU 30 -4.771 7.207 -5.333 242 HG3 GLU 30 HG3 GLU 30 -4.675 6.317 -3.811 243 H ARG 31 H ARG 31 -2.384 6.628 -2.013 244 HA ARG 31 HA ARG 31 -1.932 4.140 -0.443 245 HB2 ARG 31 HB2 ARG 31 -1.814 7.087 0.285 246 HB3 ARG 31 HB3 ARG 31 -1.648 5.805 1.454 247 HG2 ARG 31 HG2 ARG 31 0.511 5.514 0.999 248 HG3 ARG 31 HG3 ARG 31 0.220 5.256 -0.709 249 HD2 ARG 31 HD2 ARG 31 0.360 8.059 0.491 250 HD3 ARG 31 HD3 ARG 31 1.805 7.149 0.067 251 HE ARG 31 HE ARG 31 1.157 7.086 -2.243 252 HH11 ARG 31 HH11 ARG 31 -1.252 8.900 -0.494 253 HH12 ARG 31 HH12 ARG 31 -2.135 9.026 -1.994 254 HH21 ARG 31 HH21 ARG 31 0.421 8.087 -4.017 255 HH22 ARG 31 HH22 ARG 31 -1.125 8.928 -3.914 256 HA PRO 32 HA PRO 32 -6.443 4.173 0.425 257 HB2 PRO 32 HB2 PRO 32 -5.373 1.668 1.654 258 HB3 PRO 32 HB3 PRO 32 -7.018 1.986 1.079 259 HG2 PRO 32 HG2 PRO 32 -5.683 0.782 -0.610 260 HG3 PRO 32 HG3 PRO 32 -6.347 2.156 -1.202 261 HD2 PRO 32 HD2 PRO 32 -3.453 2.020 -0.405 262 HD3 PRO 32 HD3 PRO 32 -4.237 2.927 -1.726 263 H SER 33 H SER 33 -7.037 5.375 1.973 264 HA SER 33 HA SER 33 -5.733 5.749 4.602 265 HB2 SER 33 HB2 SER 33 -8.201 7.028 3.370 266 HB3 SER 33 HB3 SER 33 -7.491 7.472 4.939 267 HG SER 33 HG SER 33 -5.909 7.418 2.593 268 H GLY 34 H GLY 34 -6.345 3.200 4.494 269 HA2 GLY 34 HA2 GLY 34 -7.281 1.436 5.607 270 HA3 GLY 34 HA3 GLY 34 -7.785 2.601 6.831 271 H1 NAG 101 H1 NAG 35 11.548 1.659 -4.657 272 H2 NAG 101 H2 NAG 35 12.441 2.480 -7.476 273 H3 NAG 101 H3 NAG 35 9.633 1.876 -6.408 274 H4 NAG 101 H4 NAG 35 11.364 0.338 -8.420 275 H5 NAG 101 H5 NAG 35 10.489 -0.351 -5.595 276 H61 NAG 101 H61 NAG 35 10.637 -2.491 -6.635 277 H62 NAG 101 H62 NAG 35 11.984 -1.974 -7.674 278 H81 NAG 101 H2M NAG 35 12.084 6.482 -5.889 279 H82 NAG 101 H3M NAG 35 10.310 6.343 -5.899 280 H83 NAG 101 H1M NAG 35 11.157 7.027 -7.305 281 HN2 NAG 101 H2N NAG 35 11.437 4.075 -5.268 282 HO3 NAG 101 H3O NAG 35 10.362 3.377 -8.467 283 HO4 NAG 101 H4O NAG 35 9.005 0.509 -8.536 284 HO6 NAG 101 H6O NAG 35 12.983 -1.445 -5.545 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -9.876 6.668 1.079 2 H2 LYS 1 H2 LYS 1 -9.928 5.174 1.696 3 H3 LYS 1 H3 LYS 1 -11.267 5.751 0.967 4 HA LYS 1 HA LYS 1 -10.463 5.602 -1.144 5 HB2 LYS 1 HB2 LYS 1 -7.804 5.888 0.164 6 HB3 LYS 1 HB3 LYS 1 -7.834 5.026 -1.370 7 HG2 LYS 1 HG2 LYS 1 -9.028 6.757 -2.498 8 HG3 LYS 1 HG3 LYS 1 -9.279 7.673 -1.019 9 HD2 LYS 1 HD2 LYS 1 -6.498 7.146 -2.157 10 HD3 LYS 1 HD3 LYS 1 -7.509 8.511 -2.637 11 HE2 LYS 1 HE2 LYS 1 -6.580 9.638 -0.935 12 HE3 LYS 1 HE3 LYS 1 -7.716 8.735 0.073 13 HZ1 LYS 1 HZ1 LYS 1 -5.747 8.340 1.092 14 HZ2 LYS 1 HZ2 LYS 1 -5.834 7.016 0.195 15 HZ3 LYS 1 HZ3 LYS 1 -4.847 8.187 -0.378 16 H LEU 2 H LEU 2 -8.295 3.268 -1.441 17 HA LEU 2 HA LEU 2 -10.318 1.461 -1.910 18 HB2 LEU 2 HB2 LEU 2 -7.570 0.364 -1.811 19 HB3 LEU 2 HB3 LEU 2 -8.794 0.005 -2.840 20 HG LEU 2 HG LEU 2 -6.966 1.043 -3.994 21 HD11 LEU 2 HD11 LEU 2 -8.529 2.051 -5.610 22 HD12 LEU 2 HD12 LEU 2 -9.151 0.544 -4.923 23 HD13 LEU 2 HD13 LEU 2 -9.790 2.101 -4.350 24 HD21 LEU 2 HD21 LEU 2 -6.592 3.169 -2.694 25 HD22 LEU 2 HD22 LEU 2 -6.905 3.385 -4.422 26 HD23 LEU 2 HD23 LEU 2 -8.188 3.725 -3.290 27 HA PRO 3 HA PRO 3 -11.402 -1.146 1.240 28 HB2 PRO 3 HB2 PRO 3 -10.194 -3.452 -0.313 29 HB3 PRO 3 HB3 PRO 3 -11.838 -3.391 0.430 30 HG2 PRO 3 HG2 PRO 3 -11.608 -2.974 -2.179 31 HG3 PRO 3 HG3 PRO 3 -12.518 -1.730 -1.234 32 HD2 PRO 3 HD2 PRO 3 -9.556 -1.723 -1.979 33 HD3 PRO 3 HD3 PRO 3 -10.763 -0.459 -2.298 34 HA PRO 4 HA PRO 4 -8.681 -3.127 4.292 35 HB2 PRO 4 HB2 PRO 4 -10.854 -5.240 4.307 36 HB3 PRO 4 HB3 PRO 4 -10.028 -4.471 5.701 37 HG2 PRO 4 HG2 PRO 4 -12.510 -3.661 4.986 38 HG3 PRO 4 HG3 PRO 4 -11.260 -2.441 5.400 39 HD2 PRO 4 HD2 PRO 4 -12.174 -3.347 2.666 40 HD3 PRO 4 HD3 PRO 4 -11.853 -1.689 3.264 41 H GLY 5 H GLY 5 -7.072 -4.709 4.105 42 HA2 GLY 5 HA2 GLY 5 -6.227 -6.857 3.050 43 HA3 GLY 5 HA3 GLY 5 -7.129 -6.386 1.621 44 H TRP 6 H TRP 6 -6.636 -3.531 1.375 45 HA TRP 6 HA TRP 6 -3.853 -3.429 0.534 46 HB2 TRP 6 HB2 TRP 6 -5.971 -1.414 1.028 47 HB3 TRP 6 HB3 TRP 6 -4.463 -1.032 0.252 48 HD1 TRP 6 HD1 TRP 6 -7.849 -1.995 -0.703 49 HE1 TRP 6 HE1 TRP 6 -7.945 -1.945 -3.182 50 HE3 TRP 6 HE3 TRP 6 -2.867 -1.970 -1.636 51 HZ2 TRP 6 HZ2 TRP 6 -6.069 -2.174 -5.452 52 HZ3 TRP 6 HZ3 TRP 6 -2.046 -1.874 -3.918 53 HH2 TRP 6 HH2 TRP 6 -3.613 -2.019 -5.875 54 H GLU 7 H GLU 7 -2.160 -3.032 1.726 55 HA GLU 7 HA GLU 7 -2.319 -1.327 4.153 56 HB2 GLU 7 HB2 GLU 7 -2.745 -3.703 4.805 57 HB3 GLU 7 HB3 GLU 7 -1.145 -4.138 4.252 58 HG2 GLU 7 HG2 GLU 7 -1.665 -2.010 6.379 59 HG3 GLU 7 HG3 GLU 7 -1.579 -3.722 6.771 60 H LYS 8 H LYS 8 -0.319 -0.450 4.822 61 HA LYS 8 HA LYS 8 1.323 0.579 2.823 62 HB2 LYS 8 HB2 LYS 8 0.990 1.721 4.858 63 HB3 LYS 8 HB3 LYS 8 1.437 0.359 5.826 64 HG2 LYS 8 HG2 LYS 8 3.819 1.097 4.328 65 HG3 LYS 8 HG3 LYS 8 3.027 2.562 4.845 66 HD2 LYS 8 HD2 LYS 8 4.431 2.079 6.625 67 HD3 LYS 8 HD3 LYS 8 2.847 1.616 7.202 68 HE2 LYS 8 HE2 LYS 8 5.110 -0.219 6.299 69 HE3 LYS 8 HE3 LYS 8 4.577 0.084 7.949 70 HZ1 LYS 8 HZ1 LYS 8 3.158 -1.495 5.884 71 HZ2 LYS 8 HZ2 LYS 8 3.657 -1.982 7.358 72 HZ3 LYS 8 HZ3 LYS 8 2.344 -1.030 7.160 73 H ARG 9 H ARG 9 3.230 0.104 1.923 74 HA ARG 9 HA ARG 9 4.804 -2.237 2.877 75 HB2 ARG 9 HB2 ARG 9 3.004 -2.612 0.965 76 HB3 ARG 9 HB3 ARG 9 4.144 -1.782 -0.048 77 HG2 ARG 9 HG2 ARG 9 4.409 -4.144 -0.318 78 HG3 ARG 9 HG3 ARG 9 5.854 -3.552 0.478 79 HD2 ARG 9 HD2 ARG 9 5.069 -5.707 1.441 80 HD3 ARG 9 HD3 ARG 9 5.104 -4.416 2.644 81 HE ARG 9 HE ARG 9 2.586 -5.180 1.221 82 HH11 ARG 9 HH11 ARG 9 4.070 -4.969 4.461 83 HH12 ARG 9 HH12 ARG 9 2.476 -4.469 5.096 84 HH21 ARG 9 HH21 ARG 9 0.689 -4.374 2.378 85 HH22 ARG 9 HH22 ARG 9 0.891 -4.393 4.126 86 H MET 10 H MET 10 7.076 -2.167 2.160 87 HA MET 10 HA MET 10 7.969 0.549 1.330 88 HB2 MET 10 HB2 MET 10 7.886 0.280 3.839 89 HB3 MET 10 HB3 MET 10 9.071 -1.015 3.681 90 HG2 MET 10 HG2 MET 10 10.456 0.862 2.367 91 HG3 MET 10 HG3 MET 10 9.367 1.948 3.208 92 HE1 MET 10 HE1 MET 10 12.100 2.745 3.871 93 HE2 MET 10 HE2 MET 10 10.694 3.255 4.825 94 HE3 MET 10 HE3 MET 10 12.158 2.669 5.643 95 H PHE 11 H PHE 11 9.564 0.582 -0.111 96 HA PHE 11 HA PHE 11 10.319 -1.881 -1.359 97 HB2 PHE 11 HB2 PHE 11 10.748 1.046 -1.853 98 HB3 PHE 11 HB3 PHE 11 11.495 -0.163 -2.865 99 HD1 PHE 11 HD2 PHE 11 9.901 -2.109 -3.736 100 HD2 PHE 11 HD1 PHE 11 8.498 1.793 -2.495 101 HE1 PHE 11 HE2 PHE 11 8.016 -2.271 -5.325 102 HE2 PHE 11 HE1 PHE 11 6.722 1.671 -4.196 103 HZ PHE 11 HZ PHE 11 6.445 -0.390 -5.576 104 H ARG 12 H ARG 12 11.955 -3.097 -1.068 105 HA ARG 12 HA ARG 12 14.321 -2.522 0.423 106 HB2 ARG 12 HB2 ARG 12 13.927 -4.571 -1.800 107 HB3 ARG 12 HB3 ARG 12 15.196 -4.575 -0.584 108 HG2 ARG 12 HG2 ARG 12 12.240 -5.155 -0.172 109 HG3 ARG 12 HG3 ARG 12 13.609 -6.241 -0.006 110 HD2 ARG 12 HD2 ARG 12 13.124 -5.812 2.201 111 HD3 ARG 12 HD3 ARG 12 14.404 -4.630 1.892 112 HE ARG 12 HE ARG 12 11.578 -3.767 1.519 113 HH11 ARG 12 HH11 ARG 12 14.295 -3.631 3.739 114 HH12 ARG 12 HH12 ARG 12 13.634 -2.252 4.581 115 HH21 ARG 12 HH21 ARG 12 10.802 -2.119 2.569 116 HH22 ARG 12 HH22 ARG 12 11.660 -1.352 3.899 117 H SER 13 H SER 13 16.426 -2.251 -0.306 118 HA SER 13 HA SER 13 18.077 -1.186 -1.312 119 HB2 SER 13 HB2 SER 13 16.634 -1.658 -3.931 120 HB3 SER 13 HB3 SER 13 18.350 -1.281 -3.702 121 HG SER 13 HG SER 13 17.976 -3.534 -3.912 122 H ASN 14 H ASN 14 15.031 0.473 -1.270 123 HA ASN 14 HA ASN 14 16.759 2.861 -1.402 124 HB2 ASN 14 HB2 ASN 14 15.475 4.121 -2.992 125 HB3 ASN 14 HB3 ASN 14 16.041 2.632 -3.732 126 HD21 ASN 14 HD21 ASN 14 14.439 2.482 -5.341 127 H GLY 15 H GLY 15 13.716 1.482 -0.198 128 HA2 GLY 15 HA2 GLY 15 12.873 2.058 1.890 129 HA3 GLY 15 HA3 GLY 15 13.771 3.580 1.887 130 H THR 16 H THR 16 12.169 3.186 -1.067 131 HA THR 16 HA THR 16 10.156 5.198 -0.764 132 HB THR 16 HB THR 16 10.293 2.852 -2.692 133 HG1 THR 16 HG1 THR 16 12.051 3.941 -2.907 134 HG21 THR 16 HG21 THR 16 9.038 4.115 -4.280 135 HG22 THR 16 HG22 THR 16 8.053 3.879 -2.852 136 HG23 THR 16 HG23 THR 16 8.822 5.463 -3.130 137 H VAL 17 H VAL 17 7.731 4.721 -0.928 138 HA VAL 17 HA VAL 17 6.886 2.414 0.701 139 HB VAL 17 HB VAL 17 6.489 5.313 1.465 140 HG11 VAL 17 HG11 VAL 17 4.838 4.593 3.175 141 HG12 VAL 17 HG12 VAL 17 4.208 4.423 1.540 142 HG13 VAL 17 HG13 VAL 17 4.771 2.984 2.428 143 HG21 VAL 17 HG21 VAL 17 7.156 4.458 3.686 144 HG22 VAL 17 HG22 VAL 17 7.183 2.798 3.048 145 HG23 VAL 17 HG23 VAL 17 8.368 4.005 2.480 146 H TYR 18 H TYR 18 4.756 1.837 0.404 147 HA TYR 18 HA TYR 18 3.028 3.174 -1.509 148 HB2 TYR 18 HB2 TYR 18 3.040 1.490 -3.201 149 HB3 TYR 18 HB3 TYR 18 4.654 2.109 -3.026 150 HD1 TYR 18 HD1 TYR 18 6.196 0.602 -1.277 151 HD2 TYR 18 HD2 TYR 18 2.843 -0.754 -3.636 152 HE1 TYR 18 HE1 TYR 18 7.161 -1.647 -1.321 153 HE2 TYR 18 HE2 TYR 18 3.828 -3.061 -3.642 154 HH TYR 18 HH TYR 18 7.037 -3.735 -2.368 155 H TYR 19 H TYR 19 1.253 1.016 -2.070 156 HA TYR 19 HA TYR 19 0.748 -0.257 0.542 157 HB2 TYR 19 HB2 TYR 19 -1.042 1.568 -0.990 158 HB3 TYR 19 HB3 TYR 19 -1.750 0.036 -0.526 159 HD1 TYR 19 HD2 TYR 19 0.432 2.643 1.092 160 HD2 TYR 19 HD1 TYR 19 -2.942 0.013 1.474 161 HE1 TYR 19 HE2 TYR 19 0.020 3.469 3.428 162 HE2 TYR 19 HE1 TYR 19 -3.438 0.918 3.715 163 HH TYR 19 HH TYR 19 -2.847 2.524 5.288 164 H PHE 20 H PHE 20 -0.112 -2.223 0.421 165 HA PHE 20 HA PHE 20 -0.081 -3.666 -2.186 166 HB2 PHE 20 HB2 PHE 20 2.083 -3.760 -1.009 167 HB3 PHE 20 HB3 PHE 20 1.271 -4.305 0.441 168 HD1 PHE 20 HD1 PHE 20 2.377 -5.288 -2.942 169 HD2 PHE 20 HD2 PHE 20 0.494 -6.637 0.698 170 HE1 PHE 20 HE1 PHE 20 2.569 -7.642 -3.710 171 HE2 PHE 20 HE2 PHE 20 0.792 -8.990 -0.037 172 HZ PHE 20 HZ PHE 20 1.795 -9.492 -2.242 173 H ASN 21 H ASN 21 -1.829 -4.880 -2.389 174 HA ASN 21 HA ASN 21 -3.660 -5.264 -0.136 175 HB2 ASN 21 HB2 ASN 21 -4.358 -4.730 -2.525 176 HB3 ASN 21 HB3 ASN 21 -3.916 -6.386 -2.911 177 HD21 ASN 21 HD22 ASN 21 -6.558 -4.457 -2.002 178 HD22 ASN 21 HD21 ASN 21 -7.464 -5.742 -1.217 179 H HIS 22 H HIS 22 -2.864 -6.660 1.408 180 HA HIS 22 HA HIS 22 -1.267 -8.971 0.615 181 HB2 HIS 22 HB2 HIS 22 -1.182 -9.532 2.942 182 HB3 HIS 22 HB3 HIS 22 -0.870 -7.819 2.732 183 HD2 HIS 22 HD2 HIS 22 -2.381 -6.146 4.060 184 HE1 HIS 22 HE1 HIS 22 -5.104 -8.960 5.743 185 HE2 HIS 22 HE2 HIS 22 -4.330 -6.522 5.787 186 H ILE 23 H ILE 23 -4.588 -8.472 0.462 187 HA ILE 23 HA ILE 23 -5.297 -11.321 0.823 188 HB ILE 23 HB ILE 23 -6.820 -8.712 0.618 189 HG12 ILE 23 HG12 ILE 23 -6.612 -10.903 2.722 190 HG13 ILE 23 HG13 ILE 23 -5.879 -9.302 2.781 191 HG21 ILE 23 HG21 ILE 23 -8.110 -11.447 0.583 192 HG22 ILE 23 HG22 ILE 23 -8.923 -9.860 0.722 193 HG23 ILE 23 HG23 ILE 23 -8.085 -10.278 -0.764 194 HD11 ILE 23 HD11 ILE 23 -8.223 -8.315 2.780 195 HD12 ILE 23 HD12 ILE 23 -8.826 -9.972 3.023 196 HD13 ILE 23 HD13 ILE 23 -7.756 -9.236 4.224 197 H THR 24 H THR 24 -5.009 -8.889 -1.786 198 HA THR 24 HA THR 24 -5.601 -11.062 -3.780 199 HB THR 24 HB THR 24 -6.095 -9.370 -5.351 200 HG1 THR 24 HG1 THR 24 -6.035 -7.182 -4.768 201 HG21 THR 24 HG21 THR 24 -7.439 -8.495 -2.761 202 HG22 THR 24 HG22 THR 24 -8.053 -8.281 -4.415 203 HG23 THR 24 HG23 THR 24 -7.926 -9.909 -3.722 204 H ASN 25 H ASN 25 -3.034 -9.270 -2.621 205 HA ASN 25 HA ASN 25 -0.879 -9.007 -3.065 206 HB2 ASN 25 HB2 ASN 25 -1.123 -10.928 -5.387 207 HB3 ASN 25 HB3 ASN 25 0.360 -10.414 -4.581 208 HD21 ASN 25 HD22 ASN 25 -0.409 -10.655 -1.792 209 HD22 ASN 25 HD21 ASN 25 -0.737 -12.366 -1.574 210 H ALA 26 H ALA 26 -3.166 -7.535 -4.714 211 HA ALA 26 HA ALA 26 -1.718 -6.244 -6.834 212 HB1 ALA 26 HB1 ALA 26 -4.184 -6.143 -6.513 213 HB2 ALA 26 HB2 ALA 26 -3.938 -5.151 -5.053 214 HB3 ALA 26 HB3 ALA 26 -3.460 -4.530 -6.644 215 H SER 27 H SER 27 -0.912 -3.936 -6.838 216 HA SER 27 HA SER 27 -0.050 -2.793 -4.259 217 HB2 SER 27 HB2 SER 27 2.225 -2.339 -5.346 218 HB3 SER 27 HB3 SER 27 1.916 -3.892 -4.576 219 HG SER 27 HG SER 27 1.530 -4.765 -6.642 220 H GLN 28 H GLN 28 0.187 -0.655 -4.253 221 HA GLN 28 HA GLN 28 -0.191 0.991 -6.686 222 HB2 GLN 28 HB2 GLN 28 -2.442 0.104 -5.934 223 HB3 GLN 28 HB3 GLN 28 -2.162 0.845 -4.356 224 HG2 GLN 28 HG2 GLN 28 -2.041 3.087 -5.581 225 HG3 GLN 28 HG3 GLN 28 -2.547 2.229 -7.045 226 HE21 GLN 28 HE22 GLN 28 -3.494 2.966 -3.613 227 HE22 GLN 28 HE21 GLN 28 -5.217 2.755 -3.991 228 H PHE 29 H PHE 29 0.747 3.097 -6.306 229 HA PHE 29 HA PHE 29 2.070 3.446 -3.710 230 HB2 PHE 29 HB2 PHE 29 2.150 5.054 -6.253 231 HB3 PHE 29 HB3 PHE 29 2.976 5.507 -4.774 232 HD1 PHE 29 HD1 PHE 29 2.975 1.813 -5.650 233 HD2 PHE 29 HD2 PHE 29 5.117 5.589 -5.885 234 HE1 PHE 29 HE1 PHE 29 4.866 0.694 -6.640 235 HE2 PHE 29 HE2 PHE 29 7.077 4.382 -6.768 236 HZ PHE 29 HZ PHE 29 6.956 1.938 -7.193 237 H GLU 30 H GLU 30 -0.944 4.486 -5.057 238 HA GLU 30 HA GLU 30 -1.280 6.607 -3.082 239 HB2 GLU 30 HB2 GLU 30 -2.307 6.888 -5.252 240 HB3 GLU 30 HB3 GLU 30 -3.303 5.454 -4.995 241 HG2 GLU 30 HG2 GLU 30 -4.412 7.732 -4.578 242 HG3 GLU 30 HG3 GLU 30 -4.578 6.517 -3.313 243 H ARG 31 H ARG 31 -2.675 6.488 -1.264 244 HA ARG 31 HA ARG 31 -2.345 3.882 0.080 245 HB2 ARG 31 HB2 ARG 31 -2.638 6.763 0.992 246 HB3 ARG 31 HB3 ARG 31 -2.781 5.406 2.098 247 HG2 ARG 31 HG2 ARG 31 -0.636 5.296 2.367 248 HG3 ARG 31 HG3 ARG 31 -0.362 4.922 0.670 249 HD2 ARG 31 HD2 ARG 31 -0.574 7.777 1.716 250 HD3 ARG 31 HD3 ARG 31 0.911 6.847 1.839 251 HE ARG 31 HE ARG 31 1.101 6.715 -0.553 252 HH11 ARG 31 HH11 ARG 31 -1.539 8.888 0.356 253 HH12 ARG 31 HH12 ARG 31 -1.803 9.199 -1.353 254 HH21 ARG 31 HH21 ARG 31 0.739 7.461 -2.565 255 HH22 ARG 31 HH22 ARG 31 -0.541 8.679 -2.783 256 HA PRO 32 HA PRO 32 -6.882 3.128 0.129 257 HB2 PRO 32 HB2 PRO 32 -5.349 0.833 1.377 258 HB3 PRO 32 HB3 PRO 32 -7.014 0.780 0.715 259 HG2 PRO 32 HG2 PRO 32 -5.406 0.273 -1.182 260 HG3 PRO 32 HG3 PRO 32 -6.205 1.741 -1.385 261 HD2 PRO 32 HD2 PRO 32 -3.455 1.659 -0.202 262 HD3 PRO 32 HD3 PRO 32 -4.096 2.607 -1.574 263 H SER 33 H SER 33 -8.236 2.201 2.059 264 HA SER 33 HA SER 33 -9.268 2.617 3.949 265 HB2 SER 33 HB2 SER 33 -8.188 2.967 6.063 266 HB3 SER 33 HB3 SER 33 -7.388 1.684 5.147 267 HG SER 33 HG SER 33 -5.934 3.511 4.432 268 H GLY 34 H GLY 34 -6.915 5.273 4.336 269 HA2 GLY 34 HA2 GLY 34 -9.124 7.269 4.288 270 HA3 GLY 34 HA3 GLY 34 -7.461 7.536 4.826 271 H1 NAG 101 H1 NAG 35 11.754 1.756 -4.256 272 H2 NAG 101 H2 NAG 35 12.544 2.444 -7.124 273 H3 NAG 101 H3 NAG 35 9.903 1.277 -6.089 274 H4 NAG 101 H4 NAG 35 12.095 -0.057 -7.786 275 H5 NAG 101 H5 NAG 35 11.130 -0.497 -4.957 276 H61 NAG 101 H61 NAG 35 11.837 -2.664 -6.191 277 H62 NAG 101 H62 NAG 35 13.480 -2.014 -6.104 278 H81 NAG 101 H2M NAG 35 9.334 5.841 -6.110 279 H82 NAG 101 H3M NAG 35 10.454 6.613 -7.252 280 H83 NAG 101 H1M NAG 35 11.005 6.202 -5.615 281 HN2 NAG 101 H2N NAG 35 11.234 3.931 -5.046 282 HO3 NAG 101 H3O NAG 35 10.324 2.690 -8.227 283 HO4 NAG 101 H4O NAG 35 9.734 -0.382 -8.024 284 HO6 NAG 101 H6O NAG 35 13.319 -1.986 -3.801 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -11.607 3.569 1.851 2 H2 LYS 1 H2 LYS 1 -10.967 5.088 1.944 3 H3 LYS 1 H3 LYS 1 -9.976 3.793 1.775 4 HA LYS 1 HA LYS 1 -11.922 4.766 -0.190 5 HB2 LYS 1 HB2 LYS 1 -8.903 4.722 -0.557 6 HB3 LYS 1 HB3 LYS 1 -10.144 5.363 -1.635 7 HG2 LYS 1 HG2 LYS 1 -10.705 6.903 0.463 8 HG3 LYS 1 HG3 LYS 1 -9.055 6.487 0.941 9 HD2 LYS 1 HD2 LYS 1 -9.984 7.861 -1.609 10 HD3 LYS 1 HD3 LYS 1 -9.102 8.606 -0.287 11 HE2 LYS 1 HE2 LYS 1 -7.956 6.434 -2.120 12 HE3 LYS 1 HE3 LYS 1 -7.775 8.173 -2.354 13 HZ1 LYS 1 HZ1 LYS 1 -5.888 7.780 -1.195 14 HZ2 LYS 1 HZ2 LYS 1 -6.870 8.049 0.097 15 HZ3 LYS 1 HZ3 LYS 1 -6.464 6.528 -0.308 16 H LEU 2 H LEU 2 -9.008 2.763 -0.885 17 HA LEU 2 HA LEU 2 -10.712 0.886 -2.229 18 HB2 LEU 2 HB2 LEU 2 -7.832 0.357 -1.891 19 HB3 LEU 2 HB3 LEU 2 -8.860 -0.204 -3.061 20 HG LEU 2 HG LEU 2 -9.257 1.721 -4.271 21 HD11 LEU 2 HD11 LEU 2 -7.612 3.628 -4.138 22 HD12 LEU 2 HD12 LEU 2 -8.911 3.628 -2.961 23 HD13 LEU 2 HD13 LEU 2 -7.282 3.122 -2.471 24 HD21 LEU 2 HD21 LEU 2 -6.317 1.000 -3.960 25 HD22 LEU 2 HD22 LEU 2 -7.532 0.103 -4.890 26 HD23 LEU 2 HD23 LEU 2 -7.092 1.725 -5.387 27 HA PRO 3 HA PRO 3 -11.830 -2.172 0.415 28 HB2 PRO 3 HB2 PRO 3 -10.015 -4.140 -1.015 29 HB3 PRO 3 HB3 PRO 3 -11.752 -4.370 -0.599 30 HG2 PRO 3 HG2 PRO 3 -11.115 -3.700 -3.095 31 HG3 PRO 3 HG3 PRO 3 -12.377 -2.697 -2.276 32 HD2 PRO 3 HD2 PRO 3 -9.374 -2.188 -2.409 33 HD3 PRO 3 HD3 PRO 3 -10.649 -1.070 -2.912 34 HA PRO 4 HA PRO 4 -9.212 -3.665 3.778 35 HB2 PRO 4 HB2 PRO 4 -10.578 -5.975 4.476 36 HB3 PRO 4 HB3 PRO 4 -11.064 -4.325 4.976 37 HG2 PRO 4 HG2 PRO 4 -12.107 -5.954 2.647 38 HG3 PRO 4 HG3 PRO 4 -13.045 -5.017 3.856 39 HD2 PRO 4 HD2 PRO 4 -12.523 -4.001 1.429 40 HD3 PRO 4 HD3 PRO 4 -12.414 -2.952 2.867 41 H GLY 5 H GLY 5 -7.464 -5.042 3.805 42 HA2 GLY 5 HA2 GLY 5 -6.291 -7.093 2.895 43 HA3 GLY 5 HA3 GLY 5 -7.092 -6.745 1.378 44 H TRP 6 H TRP 6 -6.787 -3.684 1.222 45 HA TRP 6 HA TRP 6 -3.965 -3.615 0.605 46 HB2 TRP 6 HB2 TRP 6 -5.977 -1.437 1.015 47 HB3 TRP 6 HB3 TRP 6 -4.361 -1.239 0.396 48 HD1 TRP 6 HD1 TRP 6 -7.745 -1.759 -0.825 49 HE1 TRP 6 HE1 TRP 6 -7.688 -1.900 -3.362 50 HE3 TRP 6 HE3 TRP 6 -2.766 -2.139 -1.440 51 HZ2 TRP 6 HZ2 TRP 6 -5.713 -2.230 -5.454 52 HZ3 TRP 6 HZ3 TRP 6 -1.795 -2.090 -3.661 53 HH2 TRP 6 HH2 TRP 6 -3.230 -2.191 -5.721 54 H GLU 7 H GLU 7 -2.249 -3.067 1.748 55 HA GLU 7 HA GLU 7 -2.482 -1.511 4.251 56 HB2 GLU 7 HB2 GLU 7 -2.827 -3.951 4.770 57 HB3 GLU 7 HB3 GLU 7 -1.207 -4.283 4.207 58 HG2 GLU 7 HG2 GLU 7 -1.873 -2.350 6.471 59 HG3 GLU 7 HG3 GLU 7 -1.634 -4.075 6.726 60 H LYS 8 H LYS 8 -0.400 -0.678 4.978 61 HA LYS 8 HA LYS 8 1.106 0.485 2.885 62 HB2 LYS 8 HB2 LYS 8 0.749 1.667 4.857 63 HB3 LYS 8 HB3 LYS 8 1.260 0.385 5.908 64 HG2 LYS 8 HG2 LYS 8 3.169 1.881 4.065 65 HG3 LYS 8 HG3 LYS 8 2.736 2.443 5.673 66 HD2 LYS 8 HD2 LYS 8 4.407 0.009 4.984 67 HD3 LYS 8 HD3 LYS 8 4.834 1.448 5.857 68 HE2 LYS 8 HE2 LYS 8 4.699 -0.085 7.538 69 HE3 LYS 8 HE3 LYS 8 3.133 0.715 7.672 70 HZ1 LYS 8 HZ1 LYS 8 2.054 -1.235 6.912 71 HZ2 LYS 8 HZ2 LYS 8 3.269 -1.703 6.001 72 HZ3 LYS 8 HZ3 LYS 8 3.337 -1.906 7.652 73 H ARG 9 H ARG 9 3.066 0.109 1.976 74 HA ARG 9 HA ARG 9 4.682 -2.214 2.893 75 HB2 ARG 9 HB2 ARG 9 2.868 -2.618 0.998 76 HB3 ARG 9 HB3 ARG 9 3.989 -1.767 -0.026 77 HG2 ARG 9 HG2 ARG 9 4.284 -4.138 -0.292 78 HG3 ARG 9 HG3 ARG 9 5.729 -3.506 0.465 79 HD2 ARG 9 HD2 ARG 9 5.029 -5.667 1.454 80 HD3 ARG 9 HD3 ARG 9 5.037 -4.374 2.655 81 HE ARG 9 HE ARG 9 2.533 -5.215 1.254 82 HH11 ARG 9 HH11 ARG 9 4.027 -4.999 4.485 83 HH12 ARG 9 HH12 ARG 9 2.427 -4.530 5.134 84 HH21 ARG 9 HH21 ARG 9 0.622 -4.477 2.410 85 HH22 ARG 9 HH22 ARG 9 0.834 -4.463 4.163 86 H MET 10 H MET 10 6.921 -2.181 1.999 87 HA MET 10 HA MET 10 7.812 0.541 1.223 88 HB2 MET 10 HB2 MET 10 7.863 0.090 3.749 89 HB3 MET 10 HB3 MET 10 9.132 -1.094 3.406 90 HG2 MET 10 HG2 MET 10 10.435 0.788 2.293 91 HG3 MET 10 HG3 MET 10 9.183 1.894 2.804 92 HE1 MET 10 HE1 MET 10 10.410 3.528 4.200 93 HE2 MET 10 HE2 MET 10 11.641 3.132 5.423 94 HE3 MET 10 HE3 MET 10 11.956 2.802 3.710 95 H PHE 11 H PHE 11 9.521 0.636 -0.158 96 HA PHE 11 HA PHE 11 10.310 -1.848 -1.468 97 HB2 PHE 11 HB2 PHE 11 10.729 1.091 -1.972 98 HB3 PHE 11 HB3 PHE 11 11.455 -0.160 -2.983 99 HD1 PHE 11 HD2 PHE 11 9.798 -2.011 -3.893 100 HD2 PHE 11 HD1 PHE 11 8.580 1.907 -2.542 101 HE1 PHE 11 HE2 PHE 11 7.796 -2.117 -5.361 102 HE2 PHE 11 HE1 PHE 11 6.673 1.851 -4.126 103 HZ PHE 11 HZ PHE 11 6.269 -0.173 -5.493 104 H ARG 12 H ARG 12 11.771 -3.013 -0.391 105 HA ARG 12 HA ARG 12 14.130 -2.118 0.920 106 HB2 ARG 12 HB2 ARG 12 13.149 -4.409 1.024 107 HB3 ARG 12 HB3 ARG 12 13.622 -4.685 -0.658 108 HG2 ARG 12 HG2 ARG 12 16.005 -4.445 -0.043 109 HG3 ARG 12 HG3 ARG 12 15.561 -4.110 1.637 110 HD2 ARG 12 HD2 ARG 12 14.902 -6.680 0.134 111 HD3 ARG 12 HD3 ARG 12 16.310 -6.471 1.190 112 HE ARG 12 HE ARG 12 14.209 -5.758 2.812 113 HH11 ARG 12 HH11 ARG 12 14.892 -8.676 1.010 114 HH12 ARG 12 HH12 ARG 12 14.028 -9.705 2.121 115 HH21 ARG 12 HH22 ARG 12 13.135 -7.113 4.245 116 HH22 ARG 12 HH21 ARG 12 13.068 -8.817 3.923 117 H SER 13 H SER 13 16.053 -1.467 0.190 118 HA SER 13 HA SER 13 17.855 -1.047 -1.083 119 HB2 SER 13 HB2 SER 13 17.292 -2.915 -2.658 120 HB3 SER 13 HB3 SER 13 16.407 -1.730 -3.650 121 HG SER 13 HG SER 13 18.428 -0.455 -3.458 122 H ASN 14 H ASN 14 14.836 0.590 -1.381 123 HA ASN 14 HA ASN 14 16.486 3.002 -1.817 124 HB2 ASN 14 HB2 ASN 14 15.106 4.030 -3.449 125 HB3 ASN 14 HB3 ASN 14 15.591 2.453 -4.058 126 HD21 ASN 14 HD21 ASN 14 13.645 3.406 -5.461 127 H GLY 15 H GLY 15 13.732 1.532 -0.229 128 HA2 GLY 15 HA2 GLY 15 12.857 2.158 1.775 129 HA3 GLY 15 HA3 GLY 15 13.776 3.668 1.767 130 H THR 16 H THR 16 11.989 3.113 -1.145 131 HA THR 16 HA THR 16 10.081 5.267 -0.600 132 HB THR 16 HB THR 16 10.362 3.225 -2.825 133 HG1 THR 16 HG1 THR 16 11.898 4.941 -2.416 134 HG21 THR 16 HG21 THR 16 8.483 5.619 -2.721 135 HG22 THR 16 HG22 THR 16 8.921 4.729 -4.188 136 HG23 THR 16 HG23 THR 16 8.013 3.908 -2.916 137 H VAL 17 H VAL 17 7.653 4.751 -0.922 138 HA VAL 17 HA VAL 17 6.834 2.410 0.676 139 HB VAL 17 HB VAL 17 6.391 5.307 1.429 140 HG11 VAL 17 HG11 VAL 17 4.700 4.597 3.098 141 HG12 VAL 17 HG12 VAL 17 4.108 4.420 1.450 142 HG13 VAL 17 HG13 VAL 17 4.647 2.985 2.358 143 HG21 VAL 17 HG21 VAL 17 8.243 4.003 2.489 144 HG22 VAL 17 HG22 VAL 17 7.003 4.459 3.665 145 HG23 VAL 17 HG23 VAL 17 7.044 2.797 3.036 146 H TYR 18 H TYR 18 4.710 1.821 0.347 147 HA TYR 18 HA TYR 18 2.955 3.117 -1.563 148 HB2 TYR 18 HB2 TYR 18 2.978 1.386 -3.219 149 HB3 TYR 18 HB3 TYR 18 4.575 2.056 -3.080 150 HD1 TYR 18 HD1 TYR 18 6.190 0.621 -1.344 151 HD2 TYR 18 HD2 TYR 18 2.829 -0.829 -3.615 152 HE1 TYR 18 HE1 TYR 18 7.172 -1.636 -1.322 153 HE2 TYR 18 HE2 TYR 18 3.827 -3.141 -3.571 154 HH TYR 18 HH TYR 18 7.010 -3.774 -2.130 155 H TYR 19 H TYR 19 1.239 0.899 -2.081 156 HA TYR 19 HA TYR 19 0.714 -0.314 0.551 157 HB2 TYR 19 HB2 TYR 19 -1.107 1.470 -1.025 158 HB3 TYR 19 HB3 TYR 19 -1.795 -0.025 -0.430 159 HD1 TYR 19 HD2 TYR 19 0.372 2.775 0.878 160 HD2 TYR 19 HD1 TYR 19 -2.821 -0.011 1.672 161 HE1 TYR 19 HE2 TYR 19 0.038 3.771 3.132 162 HE2 TYR 19 HE1 TYR 19 -3.257 1.102 3.851 163 HH TYR 19 HH TYR 19 -2.814 3.507 4.832 164 H PHE 20 H PHE 20 -0.201 -2.278 0.433 165 HA PHE 20 HA PHE 20 -0.117 -3.712 -2.178 166 HB2 PHE 20 HB2 PHE 20 2.016 -3.792 -0.958 167 HB3 PHE 20 HB3 PHE 20 1.183 -4.370 0.470 168 HD1 PHE 20 HD1 PHE 20 2.217 -5.266 -2.980 169 HD2 PHE 20 HD2 PHE 20 0.556 -6.718 0.729 170 HE1 PHE 20 HE1 PHE 20 2.444 -7.608 -3.786 171 HE2 PHE 20 HE2 PHE 20 0.866 -9.055 -0.059 172 HZ PHE 20 HZ PHE 20 1.778 -9.501 -2.309 173 H ASN 21 H ASN 21 -1.811 -5.013 -2.428 174 HA ASN 21 HA ASN 21 -3.703 -5.389 -0.223 175 HB2 ASN 21 HB2 ASN 21 -4.373 -4.848 -2.614 176 HB3 ASN 21 HB3 ASN 21 -3.916 -6.497 -3.010 177 HD21 ASN 21 HD22 ASN 21 -6.535 -4.540 -1.960 178 HD22 ASN 21 HD21 ASN 21 -7.459 -5.853 -1.246 179 H HIS 22 H HIS 22 -2.895 -6.771 1.322 180 HA HIS 22 HA HIS 22 -1.269 -9.072 0.569 181 HB2 HIS 22 HB2 HIS 22 -1.218 -9.599 2.914 182 HB3 HIS 22 HB3 HIS 22 -0.924 -7.884 2.684 183 HD2 HIS 22 HD2 HIS 22 -2.464 -6.224 3.975 184 HE1 HIS 22 HE1 HIS 22 -5.267 -9.019 5.555 185 HE2 HIS 22 HE2 HIS 22 -4.486 -6.583 5.622 186 H ILE 23 H ILE 23 -4.582 -8.623 0.336 187 HA ILE 23 HA ILE 23 -5.256 -11.479 0.730 188 HB ILE 23 HB ILE 23 -6.787 -8.892 0.467 189 HG12 ILE 23 HG12 ILE 23 -6.745 -11.172 2.486 190 HG13 ILE 23 HG13 ILE 23 -5.997 -9.589 2.663 191 HG21 ILE 23 HG21 ILE 23 -7.958 -10.382 -1.067 192 HG22 ILE 23 HG22 ILE 23 -8.086 -11.612 0.220 193 HG23 ILE 23 HG23 ILE 23 -8.899 -10.026 0.372 194 HD11 ILE 23 HD11 ILE 23 -8.327 -8.568 2.544 195 HD12 ILE 23 HD12 ILE 23 -8.962 -10.224 2.671 196 HD13 ILE 23 HD13 ILE 23 -7.972 -9.555 3.976 197 H THR 24 H THR 24 -4.948 -9.075 -1.920 198 HA THR 24 HA THR 24 -5.448 -11.301 -3.869 199 HB THR 24 HB THR 24 -5.858 -9.658 -5.526 200 HG1 THR 24 HG1 THR 24 -5.831 -7.445 -4.953 201 HG21 THR 24 HG21 THR 24 -7.744 -10.148 -3.952 202 HG22 THR 24 HG22 THR 24 -7.296 -8.707 -3.014 203 HG23 THR 24 HG23 THR 24 -7.841 -8.543 -4.697 204 H ASN 25 H ASN 25 -2.903 -9.270 -2.795 205 HA ASN 25 HA ASN 25 -0.701 -9.236 -3.124 206 HB2 ASN 25 HB2 ASN 25 -0.934 -10.899 -5.656 207 HB3 ASN 25 HB3 ASN 25 0.534 -10.454 -4.807 208 HD21 ASN 25 HD22 ASN 25 -2.332 -12.472 -4.668 209 HD22 ASN 25 HD21 ASN 25 -1.683 -13.560 -3.420 210 H ALA 26 H ALA 26 -2.981 -7.609 -4.742 211 HA ALA 26 HA ALA 26 -1.502 -6.337 -6.852 212 HB1 ALA 26 HB1 ALA 26 -3.311 -4.677 -6.763 213 HB2 ALA 26 HB2 ALA 26 -3.977 -6.314 -6.626 214 HB3 ALA 26 HB3 ALA 26 -3.824 -5.288 -5.178 215 H SER 27 H SER 27 -0.768 -4.040 -6.915 216 HA SER 27 HA SER 27 0.051 -2.842 -4.321 217 HB2 SER 27 HB2 SER 27 2.168 -2.110 -5.424 218 HB3 SER 27 HB3 SER 27 2.069 -3.811 -5.000 219 HG SER 27 HG SER 27 1.412 -2.752 -7.572 220 H GLN 28 H GLN 28 -0.100 -0.643 -4.216 221 HA GLN 28 HA GLN 28 -0.384 1.023 -6.634 222 HB2 GLN 28 HB2 GLN 28 -2.717 0.354 -5.994 223 HB3 GLN 28 HB3 GLN 28 -2.417 0.934 -4.348 224 HG2 GLN 28 HG2 GLN 28 -2.015 3.244 -5.322 225 HG3 GLN 28 HG3 GLN 28 -2.475 2.605 -6.903 226 HE21 GLN 28 HE22 GLN 28 -3.644 3.161 -3.511 227 HE22 GLN 28 HE21 GLN 28 -5.338 3.241 -4.048 228 H PHE 29 H PHE 29 0.581 3.133 -6.183 229 HA PHE 29 HA PHE 29 2.032 3.232 -3.643 230 HB2 PHE 29 HB2 PHE 29 2.027 5.053 -6.036 231 HB3 PHE 29 HB3 PHE 29 2.940 5.354 -4.568 232 HD1 PHE 29 HD2 PHE 29 2.827 1.737 -5.647 233 HD2 PHE 29 HD1 PHE 29 4.974 5.507 -5.894 234 HE1 PHE 29 HE2 PHE 29 4.653 0.636 -6.785 235 HE2 PHE 29 HE1 PHE 29 6.875 4.317 -6.933 236 HZ PHE 29 HZ PHE 29 6.712 1.883 -7.412 237 H GLU 30 H GLU 30 -0.922 4.787 -4.855 238 HA GLU 30 HA GLU 30 -1.024 6.569 -2.546 239 HB2 GLU 30 HB2 GLU 30 -2.388 6.490 -4.980 240 HB3 GLU 30 HB3 GLU 30 -3.617 5.967 -3.846 241 HG2 GLU 30 HG2 GLU 30 -2.029 8.565 -3.813 242 HG3 GLU 30 HG3 GLU 30 -3.743 8.370 -4.177 243 H ARG 31 H ARG 31 -2.478 6.396 -0.894 244 HA ARG 31 HA ARG 31 -2.552 3.715 0.308 245 HB2 ARG 31 HB2 ARG 31 -3.364 6.283 1.665 246 HB3 ARG 31 HB3 ARG 31 -2.718 4.858 2.394 247 HG2 ARG 31 HG2 ARG 31 -0.547 5.532 2.126 248 HG3 ARG 31 HG3 ARG 31 -0.770 6.151 0.528 249 HD2 ARG 31 HD2 ARG 31 -1.419 7.523 3.154 250 HD3 ARG 31 HD3 ARG 31 -0.144 7.947 2.007 251 HE ARG 31 HE ARG 31 -2.019 8.433 0.342 252 HH11 ARG 31 HH11 ARG 31 -2.767 8.945 3.744 253 HH12 ARG 31 HH12 ARG 31 -4.472 9.246 3.362 254 HH21 ARG 31 HH21 ARG 31 -4.098 8.895 -0.058 255 HH22 ARG 31 HH22 ARG 31 -5.185 9.180 1.319 256 HA PRO 32 HA PRO 32 -7.127 3.357 -0.321 257 HB2 PRO 32 HB2 PRO 32 -6.251 0.935 1.270 258 HB3 PRO 32 HB3 PRO 32 -7.692 1.111 0.227 259 HG2 PRO 32 HG2 PRO 32 -5.679 0.151 -1.011 260 HG3 PRO 32 HG3 PRO 32 -6.238 1.553 -1.719 261 HD2 PRO 32 HD2 PRO 32 -3.923 1.471 0.242 262 HD3 PRO 32 HD3 PRO 32 -3.999 2.276 -1.350 263 H SER 33 H SER 33 -5.272 3.192 2.682 264 HA SER 33 HA SER 33 -7.401 3.086 4.518 265 HB2 SER 33 HB2 SER 33 -5.702 3.802 6.190 266 HB3 SER 33 HB3 SER 33 -5.173 2.478 5.142 267 HG SER 33 HG SER 33 -4.451 5.214 4.993 268 H GLY 34 H GLY 34 -6.594 5.878 2.629 269 HA2 GLY 34 HA2 GLY 34 -8.644 7.481 3.065 270 HA3 GLY 34 HA3 GLY 34 -7.807 7.758 4.595 271 H1 NAG 101 H1 NAG 35 11.096 2.309 -4.539 272 H2 NAG 101 H2 NAG 35 12.044 3.325 -7.281 273 H3 NAG 101 H3 NAG 35 9.243 2.580 -6.307 274 H4 NAG 101 H4 NAG 35 11.054 1.296 -8.421 275 H5 NAG 101 H5 NAG 35 10.100 0.296 -5.710 276 H61 NAG 101 H61 NAG 35 12.086 -1.004 -7.634 277 H62 NAG 101 H62 NAG 35 11.570 -1.641 -6.064 278 H81 NAG 101 H2M NAG 35 10.437 6.895 -5.093 279 H82 NAG 101 H3M NAG 35 11.522 7.632 -6.291 280 H83 NAG 101 H1M NAG 35 12.106 7.307 -4.644 281 HN2 NAG 101 H2N NAG 35 10.041 4.856 -5.858 282 HO3 NAG 101 H3O NAG 35 8.931 2.811 -8.687 283 HO4 NAG 101 H4O NAG 35 9.241 -0.300 -8.028 284 HO6 NAG 101 H6O NAG 35 10.348 -2.592 -7.758 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -11.879 1.185 7.895 2 H2 LYS 1 H2 LYS 1 -12.931 1.022 6.619 3 H3 LYS 1 H3 LYS 1 -11.577 2.000 6.506 4 HA LYS 1 HA LYS 1 -10.113 0.391 6.369 5 HB2 LYS 1 HB2 LYS 1 -11.087 -0.959 8.283 6 HB3 LYS 1 HB3 LYS 1 -12.101 -1.768 7.077 7 HG2 LYS 1 HG2 LYS 1 -10.105 -3.105 7.393 8 HG3 LYS 1 HG3 LYS 1 -10.005 -2.364 5.810 9 HD2 LYS 1 HD2 LYS 1 -8.615 -0.480 7.261 10 HD3 LYS 1 HD3 LYS 1 -8.381 -1.877 8.287 11 HE2 LYS 1 HE2 LYS 1 -6.514 -1.749 6.825 12 HE3 LYS 1 HE3 LYS 1 -7.474 -3.127 6.278 13 HZ1 LYS 1 HZ1 LYS 1 -8.275 -1.820 4.454 14 HZ2 LYS 1 HZ2 LYS 1 -7.669 -0.408 5.074 15 HZ3 LYS 1 HZ3 LYS 1 -6.624 -1.585 4.531 16 H LEU 2 H LEU 2 -9.739 0.620 4.310 17 HA LEU 2 HA LEU 2 -11.629 -0.047 2.232 18 HB2 LEU 2 HB2 LEU 2 -8.766 0.700 2.129 19 HB3 LEU 2 HB3 LEU 2 -9.646 0.250 0.710 20 HG LEU 2 HG LEU 2 -10.048 2.501 0.610 21 HD11 LEU 2 HD11 LEU 2 -12.237 3.153 0.998 22 HD12 LEU 2 HD12 LEU 2 -12.251 1.469 0.467 23 HD13 LEU 2 HD13 LEU 2 -12.515 1.878 2.186 24 HD21 LEU 2 HD21 LEU 2 -9.045 2.857 2.898 25 HD22 LEU 2 HD22 LEU 2 -10.303 4.012 2.374 26 HD23 LEU 2 HD23 LEU 2 -10.693 2.744 3.543 27 HA PRO 3 HA PRO 3 -12.047 -3.939 1.466 28 HB2 PRO 3 HB2 PRO 3 -10.262 -3.834 -0.992 29 HB3 PRO 3 HB3 PRO 3 -11.824 -4.731 -0.823 30 HG2 PRO 3 HG2 PRO 3 -11.898 -2.349 -1.989 31 HG3 PRO 3 HG3 PRO 3 -13.024 -2.591 -0.599 32 HD2 PRO 3 HD2 PRO 3 -10.260 -1.380 -0.613 33 HD3 PRO 3 HD3 PRO 3 -11.684 -0.625 0.054 34 HA PRO 4 HA PRO 4 -9.520 -6.688 3.416 35 HB2 PRO 4 HB2 PRO 4 -10.031 -8.790 1.326 36 HB3 PRO 4 HB3 PRO 4 -10.124 -8.933 3.107 37 HG2 PRO 4 HG2 PRO 4 -12.392 -8.597 1.657 38 HG3 PRO 4 HG3 PRO 4 -12.157 -7.693 3.188 39 HD2 PRO 4 HD2 PRO 4 -11.814 -6.724 0.356 40 HD3 PRO 4 HD3 PRO 4 -12.534 -5.899 1.770 41 H GLY 5 H GLY 5 -7.464 -6.581 3.575 42 HA2 GLY 5 HA2 GLY 5 -5.246 -7.342 2.886 43 HA3 GLY 5 HA3 GLY 5 -5.689 -7.026 1.235 44 H TRP 6 H TRP 6 -6.835 -4.053 1.922 45 HA TRP 6 HA TRP 6 -4.304 -3.059 1.113 46 HB2 TRP 6 HB2 TRP 6 -6.694 -1.587 2.112 47 HB3 TRP 6 HB3 TRP 6 -5.302 -0.784 1.525 48 HD1 TRP 6 HD1 TRP 6 -8.472 -1.831 0.389 49 HE1 TRP 6 HE1 TRP 6 -8.632 -1.228 -2.122 50 HE3 TRP 6 HE3 TRP 6 -3.515 -1.501 -0.689 51 HZ2 TRP 6 HZ2 TRP 6 -6.833 -1.121 -4.394 52 HZ3 TRP 6 HZ3 TRP 6 -2.761 -1.080 -2.990 53 HH2 TRP 6 HH2 TRP 6 -4.391 -0.931 -4.865 54 H GLU 7 H GLU 7 -2.578 -2.605 2.090 55 HA GLU 7 HA GLU 7 -2.424 -0.661 4.159 56 HB2 GLU 7 HB2 GLU 7 -2.850 -2.317 5.769 57 HB3 GLU 7 HB3 GLU 7 -1.762 -3.466 5.020 58 HG2 GLU 7 HG2 GLU 7 -0.984 -2.581 7.191 59 HG3 GLU 7 HG3 GLU 7 0.161 -2.395 5.881 60 H LYS 8 H LYS 8 -0.270 -0.039 4.611 61 HA LYS 8 HA LYS 8 1.435 0.551 2.596 62 HB2 LYS 8 HB2 LYS 8 1.168 1.395 4.970 63 HB3 LYS 8 HB3 LYS 8 2.224 0.069 5.476 64 HG2 LYS 8 HG2 LYS 8 4.069 1.077 4.157 65 HG3 LYS 8 HG3 LYS 8 2.957 2.292 3.531 66 HD2 LYS 8 HD2 LYS 8 4.413 3.059 5.443 67 HD3 LYS 8 HD3 LYS 8 2.698 3.385 5.610 68 HE2 LYS 8 HE2 LYS 8 3.959 0.941 6.919 69 HE3 LYS 8 HE3 LYS 8 4.080 2.542 7.646 70 HZ1 LYS 8 HZ1 LYS 8 2.203 1.542 8.605 71 HZ2 LYS 8 HZ2 LYS 8 1.565 2.605 7.527 72 HZ3 LYS 8 HZ3 LYS 8 1.562 0.987 7.244 73 H ARG 9 H ARG 9 3.335 -0.026 1.835 74 HA ARG 9 HA ARG 9 4.826 -2.374 2.794 75 HB2 ARG 9 HB2 ARG 9 3.238 -3.199 1.040 76 HB3 ARG 9 HB3 ARG 9 3.913 -2.040 -0.097 77 HG2 ARG 9 HG2 ARG 9 4.787 -4.179 -0.594 78 HG3 ARG 9 HG3 ARG 9 6.106 -3.225 0.043 79 HD2 ARG 9 HD2 ARG 9 6.354 -5.401 0.957 80 HD3 ARG 9 HD3 ARG 9 5.831 -4.355 2.270 81 HE ARG 9 HE ARG 9 4.010 -5.723 2.542 82 HH11 ARG 9 HH11 ARG 9 5.001 -6.215 -0.778 83 HH12 ARG 9 HH12 ARG 9 3.779 -7.427 -1.049 84 HH21 ARG 9 HH21 ARG 9 2.414 -7.274 2.099 85 HH22 ARG 9 HH22 ARG 9 2.545 -8.132 0.601 86 H MET 10 H MET 10 7.094 -2.336 1.886 87 HA MET 10 HA MET 10 7.976 0.389 1.112 88 HB2 MET 10 HB2 MET 10 8.136 -0.043 3.620 89 HB3 MET 10 HB3 MET 10 9.288 -1.327 3.241 90 HG2 MET 10 HG2 MET 10 10.594 0.546 1.941 91 HG3 MET 10 HG3 MET 10 9.537 1.661 2.780 92 HE1 MET 10 HE1 MET 10 12.904 -0.908 4.619 93 HE2 MET 10 HE2 MET 10 11.509 -1.675 3.832 94 HE3 MET 10 HE3 MET 10 12.609 -0.642 2.886 95 H PHE 11 H PHE 11 9.657 0.473 -0.285 96 HA PHE 11 HA PHE 11 10.551 -2.008 -1.569 97 HB2 PHE 11 HB2 PHE 11 10.952 0.929 -2.112 98 HB3 PHE 11 HB3 PHE 11 11.681 -0.339 -3.073 99 HD1 PHE 11 HD1 PHE 11 10.170 -2.123 -4.121 100 HD2 PHE 11 HD2 PHE 11 8.638 1.639 -2.635 101 HE1 PHE 11 HE1 PHE 11 8.264 -2.270 -5.692 102 HE2 PHE 11 HE2 PHE 11 6.814 1.520 -4.278 103 HZ PHE 11 HZ PHE 11 6.591 -0.460 -5.780 104 H ARG 12 H ARG 12 11.946 -3.019 -0.140 105 HA ARG 12 HA ARG 12 14.293 -1.819 0.975 106 HB2 ARG 12 HB2 ARG 12 15.151 -3.989 1.261 107 HB3 ARG 12 HB3 ARG 12 13.426 -4.113 1.533 108 HG2 ARG 12 HG2 ARG 12 14.939 -5.043 -0.962 109 HG3 ARG 12 HG3 ARG 12 14.370 -6.036 0.363 110 HD2 ARG 12 HD2 ARG 12 12.765 -6.472 -1.161 111 HD3 ARG 12 HD3 ARG 12 11.978 -5.170 -0.260 112 HE ARG 12 HE ARG 12 13.316 -3.877 -2.342 113 HH11 ARG 12 HH11 ARG 12 10.904 -6.409 -2.265 114 HH12 ARG 12 HH12 ARG 12 10.358 -6.111 -3.894 115 HH21 ARG 12 HH21 ARG 12 12.634 -3.551 -4.499 116 HH22 ARG 12 HH22 ARG 12 11.314 -4.508 -5.097 117 H SER 13 H SER 13 16.395 -1.668 0.145 118 HA SER 13 HA SER 13 18.097 -1.378 -1.334 119 HB2 SER 13 HB2 SER 13 18.021 -1.582 -3.719 120 HB3 SER 13 HB3 SER 13 17.272 -3.012 -2.990 121 HG SER 13 HG SER 13 15.261 -2.019 -3.292 122 H ASN 14 H ASN 14 15.092 0.486 -1.364 123 HA ASN 14 HA ASN 14 16.913 2.800 -1.526 124 HB2 ASN 14 HB2 ASN 14 15.681 4.033 -3.171 125 HB3 ASN 14 HB3 ASN 14 16.192 2.492 -3.846 126 HD21 ASN 14 HD21 ASN 14 14.579 2.553 -5.491 127 H GLY 15 H GLY 15 13.847 1.526 -0.276 128 HA2 GLY 15 HA2 GLY 15 13.043 2.203 1.832 129 HA3 GLY 15 HA3 GLY 15 13.914 3.733 1.712 130 H THR 16 H THR 16 12.301 3.111 -1.201 131 HA THR 16 HA THR 16 10.243 5.107 -0.939 132 HB THR 16 HB THR 16 10.437 2.751 -2.849 133 HG1 THR 16 HG1 THR 16 12.193 3.862 -3.036 134 HG21 THR 16 HG21 THR 16 8.965 5.352 -3.325 135 HG22 THR 16 HG22 THR 16 9.191 3.985 -4.452 136 HG23 THR 16 HG23 THR 16 8.193 3.771 -3.031 137 H VAL 17 H VAL 17 7.856 4.578 -1.101 138 HA VAL 17 HA VAL 17 7.006 2.260 0.503 139 HB VAL 17 HB VAL 17 6.680 5.155 1.336 140 HG11 VAL 17 HG11 VAL 17 4.386 4.309 1.425 141 HG12 VAL 17 HG12 VAL 17 4.936 2.839 2.267 142 HG13 VAL 17 HG13 VAL 17 5.040 4.428 3.054 143 HG21 VAL 17 HG21 VAL 17 7.351 4.245 3.537 144 HG22 VAL 17 HG22 VAL 17 7.356 2.598 2.865 145 HG23 VAL 17 HG23 VAL 17 8.548 3.805 2.312 146 H TYR 18 H TYR 18 4.862 1.737 0.215 147 HA TYR 18 HA TYR 18 3.127 3.134 -1.686 148 HB2 TYR 18 HB2 TYR 18 3.155 1.504 -3.380 149 HB3 TYR 18 HB3 TYR 18 4.779 2.070 -3.168 150 HD1 TYR 18 HD1 TYR 18 6.292 0.513 -1.506 151 HD2 TYR 18 HD2 TYR 18 2.805 -0.705 -3.736 152 HE1 TYR 18 HE1 TYR 18 7.211 -1.738 -1.654 153 HE2 TYR 18 HE2 TYR 18 3.694 -3.053 -3.776 154 HH TYR 18 HH TYR 18 7.005 -3.770 -2.753 155 H TYR 19 H TYR 19 1.291 1.157 -2.229 156 HA TYR 19 HA TYR 19 0.583 0.083 0.422 157 HB2 TYR 19 HB2 TYR 19 -0.876 2.152 -1.089 158 HB3 TYR 19 HB3 TYR 19 -1.850 0.742 -0.710 159 HD1 TYR 19 HD2 TYR 19 0.724 2.880 0.971 160 HD2 TYR 19 HD1 TYR 19 -2.984 0.740 1.351 161 HE1 TYR 19 HE2 TYR 19 0.627 3.463 3.422 162 HE2 TYR 19 HE1 TYR 19 -3.117 1.385 3.760 163 HH TYR 19 HH TYR 19 -1.314 1.675 5.548 164 H PHE 20 H PHE 20 -0.383 -1.782 0.428 165 HA PHE 20 HA PHE 20 -0.429 -3.279 -2.143 166 HB2 PHE 20 HB2 PHE 20 1.670 -3.337 -0.774 167 HB3 PHE 20 HB3 PHE 20 0.782 -4.080 0.530 168 HD1 PHE 20 HD2 PHE 20 2.216 -4.596 -2.831 169 HD2 PHE 20 HD1 PHE 20 0.076 -6.405 0.408 170 HE1 PHE 20 HE2 PHE 20 2.622 -6.843 -3.832 171 HE2 PHE 20 HE1 PHE 20 0.535 -8.690 -0.588 172 HZ PHE 20 HZ PHE 20 1.751 -8.893 -2.628 173 H ASN 21 H ASN 21 -2.050 -4.684 -2.334 174 HA ASN 21 HA ASN 21 -3.969 -4.951 -0.082 175 HB2 ASN 21 HB2 ASN 21 -4.855 -4.505 -2.373 176 HB3 ASN 21 HB3 ASN 21 -4.118 -6.018 -2.911 177 HD21 ASN 21 HD22 ASN 21 -6.891 -4.605 -1.196 178 HD22 ASN 21 HD21 ASN 21 -7.459 -6.191 -0.640 179 H HIS 22 H HIS 22 -2.772 -6.161 1.408 180 HA HIS 22 HA HIS 22 -0.993 -8.282 0.667 181 HB2 HIS 22 HB2 HIS 22 -2.212 -7.654 3.373 182 HB3 HIS 22 HB3 HIS 22 -0.821 -8.687 3.067 183 HD2 HIS 22 HD2 HIS 22 -1.697 -4.877 2.794 184 HE1 HIS 22 HE1 HIS 22 2.402 -5.202 3.748 185 HE2 HIS 22 HE2 HIS 22 0.513 -3.593 3.249 186 H ILE 23 H ILE 23 -4.230 -8.547 0.227 187 HA ILE 23 HA ILE 23 -4.287 -11.424 1.037 188 HB ILE 23 HB ILE 23 -6.224 -9.238 1.248 189 HG12 ILE 23 HG12 ILE 23 -7.275 -10.741 2.895 190 HG13 ILE 23 HG13 ILE 23 -6.211 -12.057 2.400 191 HG21 ILE 23 HG21 ILE 23 -8.245 -10.513 0.808 192 HG22 ILE 23 HG22 ILE 23 -7.346 -10.137 -0.647 193 HG23 ILE 23 HG23 ILE 23 -7.281 -11.793 0.029 194 HD11 ILE 23 HD11 ILE 23 -4.262 -10.842 3.288 195 HD12 ILE 23 HD12 ILE 23 -5.288 -9.434 3.658 196 HD13 ILE 23 HD13 ILE 23 -5.521 -10.964 4.523 197 H THR 24 H THR 24 -5.164 -9.185 -1.593 198 HA THR 24 HA THR 24 -5.305 -11.381 -3.565 199 HB THR 24 HB THR 24 -5.726 -9.616 -5.217 200 HG1 THR 24 HG1 THR 24 -5.497 -7.863 -3.015 201 HG21 THR 24 HG21 THR 24 -7.382 -9.046 -2.720 202 HG22 THR 24 HG22 THR 24 -7.824 -8.737 -4.407 203 HG23 THR 24 HG23 THR 24 -7.658 -10.409 -3.833 204 H ASN 25 H ASN 25 -2.933 -8.992 -2.563 205 HA ASN 25 HA ASN 25 -0.789 -8.738 -2.905 206 HB2 ASN 25 HB2 ASN 25 -0.827 -10.670 -5.233 207 HB3 ASN 25 HB3 ASN 25 0.595 -9.971 -4.486 208 HD21 ASN 25 HD22 ASN 25 -1.986 -12.293 -4.055 209 HD22 ASN 25 HD21 ASN 25 -1.259 -13.086 -2.648 210 H ALA 26 H ALA 26 -3.177 -7.449 -4.549 211 HA ALA 26 HA ALA 26 -1.852 -6.120 -6.730 212 HB1 ALA 26 HB1 ALA 26 -3.663 -4.508 -6.593 213 HB2 ALA 26 HB2 ALA 26 -4.337 -6.128 -6.318 214 HB3 ALA 26 HB3 ALA 26 -4.070 -5.015 -4.952 215 H SER 27 H SER 27 -1.011 -3.891 -6.818 216 HA SER 27 HA SER 27 -0.215 -2.599 -4.262 217 HB2 SER 27 HB2 SER 27 2.030 -2.164 -5.243 218 HB3 SER 27 HB3 SER 27 1.755 -3.829 -4.755 219 HG SER 27 HG SER 27 1.303 -2.861 -7.388 220 H GLN 28 H GLN 28 -0.279 -0.415 -4.357 221 HA GLN 28 HA GLN 28 -0.087 0.996 -6.944 222 HB2 GLN 28 HB2 GLN 28 -2.291 1.400 -4.869 223 HB3 GLN 28 HB3 GLN 28 -1.897 2.568 -6.109 224 HG2 GLN 28 HG2 GLN 28 -3.000 -0.223 -6.553 225 HG3 GLN 28 HG3 GLN 28 -3.860 1.309 -6.734 226 HE21 GLN 28 HE22 GLN 28 -2.433 2.943 -8.464 227 HE22 GLN 28 HE21 GLN 28 -2.060 1.978 -9.890 228 H PHE 29 H PHE 29 0.600 3.366 -6.408 229 HA PHE 29 HA PHE 29 2.150 3.358 -3.828 230 HB2 PHE 29 HB2 PHE 29 2.282 5.161 -6.233 231 HB3 PHE 29 HB3 PHE 29 3.051 5.504 -4.692 232 HD1 PHE 29 HD1 PHE 29 3.161 1.880 -5.738 233 HD2 PHE 29 HD2 PHE 29 5.196 5.720 -5.851 234 HE1 PHE 29 HE1 PHE 29 5.104 0.838 -6.717 235 HE2 PHE 29 HE2 PHE 29 7.208 4.591 -6.727 236 HZ PHE 29 HZ PHE 29 7.169 2.153 -7.203 237 H GLU 30 H GLU 30 -0.649 4.562 -5.437 238 HA GLU 30 HA GLU 30 -1.504 6.478 -3.488 239 HB2 GLU 30 HB2 GLU 30 -3.421 4.848 -5.153 240 HB3 GLU 30 HB3 GLU 30 -3.520 6.520 -4.634 241 HG2 GLU 30 HG2 GLU 30 -3.097 6.759 -6.893 242 HG3 GLU 30 HG3 GLU 30 -1.466 6.904 -6.246 243 H ARG 31 H ARG 31 -2.214 6.137 -1.551 244 HA ARG 31 HA ARG 31 -2.833 3.494 -0.417 245 HB2 ARG 31 HB2 ARG 31 -1.240 4.822 0.709 246 HB3 ARG 31 HB3 ARG 31 -2.121 6.296 0.518 247 HG2 ARG 31 HG2 ARG 31 -3.537 4.314 2.223 248 HG3 ARG 31 HG3 ARG 31 -1.953 4.779 2.811 249 HD2 ARG 31 HD2 ARG 31 -3.794 6.175 3.729 250 HD3 ARG 31 HD3 ARG 31 -2.431 7.052 3.001 251 HE ARG 31 HE ARG 31 -4.200 6.744 0.922 252 HH11 ARG 31 HH12 ARG 31 -4.782 8.326 3.992 253 HH12 ARG 31 HH11 ARG 31 -6.270 9.031 3.383 254 HH21 ARG 31 HH21 ARG 31 -5.938 7.466 0.296 255 HH22 ARG 31 HH22 ARG 31 -7.058 8.320 1.359 256 HA PRO 32 HA PRO 32 -7.279 4.597 -0.691 257 HB2 PRO 32 HB2 PRO 32 -7.923 2.556 1.164 258 HB3 PRO 32 HB3 PRO 32 -8.340 2.683 -0.588 259 HG2 PRO 32 HG2 PRO 32 -6.701 0.825 0.700 260 HG3 PRO 32 HG3 PRO 32 -6.920 1.075 -0.992 261 HD2 PRO 32 HD2 PRO 32 -4.628 2.017 0.711 262 HD3 PRO 32 HD3 PRO 32 -4.678 1.960 -1.074 263 H SER 33 H SER 33 -8.771 5.533 1.098 264 HA SER 33 HA SER 33 -7.271 6.643 3.308 265 HB2 SER 33 HB2 SER 33 -10.189 6.877 2.538 266 HB3 SER 33 HB3 SER 33 -9.417 7.777 3.859 267 HG SER 33 HG SER 33 -9.488 8.905 1.839 268 H GLY 34 H GLY 34 -6.825 4.254 3.956 269 HA2 GLY 34 HA2 GLY 34 -6.669 2.983 5.891 270 HA3 GLY 34 HA3 GLY 34 -7.923 3.984 6.635 271 H1 NAG 101 H1 NAG 35 11.939 1.655 -4.439 272 H2 NAG 101 H2 NAG 35 12.623 2.530 -7.287 273 H3 NAG 101 H3 NAG 35 10.080 1.263 -6.121 274 H4 NAG 101 H4 NAG 35 12.114 0.188 -8.149 275 H5 NAG 101 H5 NAG 35 11.547 -0.772 -5.316 276 H61 NAG 101 H61 NAG 35 12.316 -2.571 -6.875 277 H62 NAG 101 H62 NAG 35 13.760 -1.613 -7.240 278 H81 NAG 101 H2M NAG 35 11.210 6.260 -5.626 279 H82 NAG 101 H3M NAG 35 9.517 5.935 -6.070 280 H83 NAG 101 H1M NAG 35 10.609 6.717 -7.233 281 HN2 NAG 101 H2N NAG 35 11.387 3.957 -5.114 282 HO3 NAG 101 H3O NAG 35 10.338 2.837 -8.237 283 HO4 NAG 101 H4O NAG 35 9.772 -0.263 -8.157 284 HO6 NAG 101 H6O NAG 35 14.443 -1.820 -5.121 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -12.399 5.705 1.042 2 H2 LYS 1 H2 LYS 1 -13.196 4.356 0.506 3 H3 LYS 1 H3 LYS 1 -12.352 5.277 -0.552 4 HA LYS 1 HA LYS 1 -10.271 4.669 0.426 5 HB2 LYS 1 HB2 LYS 1 -10.194 3.013 2.209 6 HB3 LYS 1 HB3 LYS 1 -10.943 4.513 2.753 7 HG2 LYS 1 HG2 LYS 1 -13.152 3.441 2.658 8 HG3 LYS 1 HG3 LYS 1 -12.456 1.945 2.022 9 HD2 LYS 1 HD2 LYS 1 -11.435 3.055 4.655 10 HD3 LYS 1 HD3 LYS 1 -12.996 2.262 4.593 11 HE2 LYS 1 HE2 LYS 1 -11.352 0.687 5.313 12 HE3 LYS 1 HE3 LYS 1 -12.013 0.188 3.756 13 HZ1 LYS 1 HZ1 LYS 1 -9.533 0.010 4.037 14 HZ2 LYS 1 HZ2 LYS 1 -10.022 0.773 2.680 15 HZ3 LYS 1 HZ3 LYS 1 -9.443 1.654 3.977 16 H LEU 2 H LEU 2 -9.132 2.720 -0.244 17 HA LEU 2 HA LEU 2 -10.745 0.951 -1.921 18 HB2 LEU 2 HB2 LEU 2 -7.875 0.438 -1.573 19 HB3 LEU 2 HB3 LEU 2 -8.896 -0.046 -2.783 20 HG LEU 2 HG LEU 2 -9.338 2.021 -3.807 21 HD11 LEU 2 HD11 LEU 2 -6.865 3.150 -2.490 22 HD12 LEU 2 HD12 LEU 2 -7.873 3.880 -3.725 23 HD13 LEU 2 HD13 LEU 2 -8.525 3.676 -2.106 24 HD21 LEU 2 HD21 LEU 2 -7.185 1.999 -5.053 25 HD22 LEU 2 HD22 LEU 2 -6.459 1.018 -3.772 26 HD23 LEU 2 HD23 LEU 2 -7.799 0.379 -4.741 27 HA PRO 3 HA PRO 3 -11.848 -2.217 0.599 28 HB2 PRO 3 HB2 PRO 3 -9.975 -4.127 -0.835 29 HB3 PRO 3 HB3 PRO 3 -11.719 -4.373 -0.479 30 HG2 PRO 3 HG2 PRO 3 -10.991 -3.634 -2.936 31 HG3 PRO 3 HG3 PRO 3 -12.316 -2.699 -2.140 32 HD2 PRO 3 HD2 PRO 3 -9.338 -2.048 -2.166 33 HD3 PRO 3 HD3 PRO 3 -10.655 -0.991 -2.668 34 HA PRO 4 HA PRO 4 -9.219 -3.761 3.944 35 HB2 PRO 4 HB2 PRO 4 -10.592 -6.060 4.631 36 HB3 PRO 4 HB3 PRO 4 -11.100 -4.413 5.123 37 HG2 PRO 4 HG2 PRO 4 -12.099 -6.055 2.782 38 HG3 PRO 4 HG3 PRO 4 -13.062 -5.131 3.982 39 HD2 PRO 4 HD2 PRO 4 -12.512 -4.113 1.555 40 HD3 PRO 4 HD3 PRO 4 -12.463 -3.061 2.995 41 H GLY 5 H GLY 5 -7.469 -5.179 3.928 42 HA2 GLY 5 HA2 GLY 5 -6.355 -7.211 2.949 43 HA3 GLY 5 HA3 GLY 5 -7.179 -6.826 1.453 44 H TRP 6 H TRP 6 -6.819 -3.752 1.367 45 HA TRP 6 HA TRP 6 -4.018 -3.763 0.675 46 HB2 TRP 6 HB2 TRP 6 -5.968 -1.525 1.186 47 HB3 TRP 6 HB3 TRP 6 -4.359 -1.334 0.554 48 HD1 TRP 6 HD1 TRP 6 -7.741 -1.695 -0.635 49 HE1 TRP 6 HE1 TRP 6 -7.719 -1.728 -3.191 50 HE3 TRP 6 HE3 TRP 6 -2.780 -2.301 -1.356 51 HZ2 TRP 6 HZ2 TRP 6 -5.798 -2.191 -5.318 52 HZ3 TRP 6 HZ3 TRP 6 -1.851 -2.331 -3.615 53 HH2 TRP 6 HH2 TRP 6 -3.336 -2.380 -5.627 54 H GLU 7 H GLU 7 -2.282 -3.248 1.744 55 HA GLU 7 HA GLU 7 -2.389 -2.030 4.465 56 HB2 GLU 7 HB2 GLU 7 -2.436 -4.612 4.332 57 HB3 GLU 7 HB3 GLU 7 -0.788 -4.504 3.711 58 HG2 GLU 7 HG2 GLU 7 -0.119 -3.353 5.833 59 HG3 GLU 7 HG3 GLU 7 -1.788 -3.467 6.403 60 H LYS 8 H LYS 8 -0.511 -0.755 4.974 61 HA LYS 8 HA LYS 8 0.859 0.335 2.721 62 HB2 LYS 8 HB2 LYS 8 0.318 1.558 4.792 63 HB3 LYS 8 HB3 LYS 8 1.566 0.657 5.666 64 HG2 LYS 8 HG2 LYS 8 3.272 1.580 4.059 65 HG3 LYS 8 HG3 LYS 8 2.007 2.489 3.247 66 HD2 LYS 8 HD2 LYS 8 2.593 2.873 6.220 67 HD3 LYS 8 HD3 LYS 8 3.542 3.656 4.966 68 HE2 LYS 8 HE2 LYS 8 1.985 5.293 5.482 69 HE3 LYS 8 HE3 LYS 8 1.372 4.573 3.994 70 HZ1 LYS 8 HZ1 LYS 8 -0.126 3.218 5.460 71 HZ2 LYS 8 HZ2 LYS 8 0.346 4.155 6.742 72 HZ3 LYS 8 HZ3 LYS 8 -0.439 4.800 5.428 73 H ARG 9 H ARG 9 2.907 0.174 1.971 74 HA ARG 9 HA ARG 9 4.660 -2.036 2.950 75 HB2 ARG 9 HB2 ARG 9 2.744 -2.480 1.018 76 HB3 ARG 9 HB3 ARG 9 4.007 -1.818 0.017 77 HG2 ARG 9 HG2 ARG 9 4.380 -4.077 -0.143 78 HG3 ARG 9 HG3 ARG 9 5.527 -3.660 1.101 79 HD2 ARG 9 HD2 ARG 9 3.017 -5.297 1.250 80 HD3 ARG 9 HD3 ARG 9 4.587 -5.607 1.963 81 HE ARG 9 HE ARG 9 3.471 -3.371 3.324 82 HH11 ARG 9 HH11 ARG 9 2.260 -6.745 3.062 83 HH12 ARG 9 HH12 ARG 9 1.417 -6.420 4.607 84 HH21 ARG 9 HH21 ARG 9 2.423 -3.338 5.148 85 HH22 ARG 9 HH22 ARG 9 1.573 -4.833 5.669 86 H MET 10 H MET 10 6.860 -1.959 2.084 87 HA MET 10 HA MET 10 7.661 0.769 1.207 88 HB2 MET 10 HB2 MET 10 7.779 0.460 3.731 89 HB3 MET 10 HB3 MET 10 8.978 -0.804 3.440 90 HG2 MET 10 HG2 MET 10 10.198 1.120 2.037 91 HG3 MET 10 HG3 MET 10 9.167 2.178 2.979 92 HE1 MET 10 HE1 MET 10 12.343 0.097 2.737 93 HE2 MET 10 HE2 MET 10 12.728 -0.367 4.411 94 HE3 MET 10 HE3 MET 10 11.339 -1.107 3.582 95 H PHE 11 H PHE 11 9.317 0.877 -0.198 96 HA PHE 11 HA PHE 11 10.415 -1.587 -1.330 97 HB2 PHE 11 HB2 PHE 11 10.659 1.356 -1.952 98 HB3 PHE 11 HB3 PHE 11 11.486 0.095 -2.867 99 HD1 PHE 11 HD2 PHE 11 9.944 -1.889 -3.730 100 HD2 PHE 11 HD1 PHE 11 8.464 2.020 -2.621 101 HE1 PHE 11 HE2 PHE 11 7.981 -2.197 -5.214 102 HE2 PHE 11 HE1 PHE 11 6.626 1.776 -4.253 103 HZ PHE 11 HZ PHE 11 6.357 -0.348 -5.508 104 H ARG 12 H ARG 12 11.854 -2.545 -0.039 105 HA ARG 12 HA ARG 12 13.961 -1.345 1.461 106 HB2 ARG 12 HB2 ARG 12 13.857 -4.034 0.015 107 HB3 ARG 12 HB3 ARG 12 15.099 -3.558 1.179 108 HG2 ARG 12 HG2 ARG 12 13.342 -3.285 2.936 109 HG3 ARG 12 HG3 ARG 12 12.120 -3.855 1.783 110 HD2 ARG 12 HD2 ARG 12 13.373 -6.007 1.547 111 HD3 ARG 12 HD3 ARG 12 14.568 -5.423 2.701 112 HE ARG 12 HE ARG 12 13.099 -5.737 4.471 113 HH11 ARG 12 HH11 ARG 12 11.344 -6.412 1.520 114 HH12 ARG 12 HH12 ARG 12 10.036 -7.213 2.345 115 HH21 ARG 12 HH21 ARG 12 11.393 -6.748 5.502 116 HH22 ARG 12 HH22 ARG 12 10.066 -7.366 4.571 117 H SER 13 H SER 13 16.182 -1.125 0.967 118 HA SER 13 HA SER 13 17.900 -0.239 -0.109 119 HB2 SER 13 HB2 SER 13 17.845 -2.323 -1.450 120 HB3 SER 13 HB3 SER 13 16.895 -1.466 -2.687 121 HG SER 13 HG SER 13 18.668 0.167 -2.484 122 H ASN 14 H ASN 14 14.782 1.031 -0.907 123 HA ASN 14 HA ASN 14 16.311 3.482 -1.544 124 HB2 ASN 14 HB2 ASN 14 15.142 4.148 -3.425 125 HB3 ASN 14 HB3 ASN 14 15.570 2.471 -3.718 126 HD21 ASN 14 HD21 ASN 14 13.932 2.808 -5.422 127 H GLY 15 H GLY 15 13.449 2.115 -0.016 128 HA2 GLY 15 HA2 GLY 15 12.590 2.970 1.973 129 HA3 GLY 15 HA3 GLY 15 13.411 4.511 1.705 130 H THR 16 H THR 16 11.755 3.537 -1.122 131 HA THR 16 HA THR 16 9.654 5.554 -0.829 132 HB THR 16 HB THR 16 10.135 3.359 -2.872 133 HG1 THR 16 HG1 THR 16 11.589 5.177 -2.491 134 HG21 THR 16 HG21 THR 16 8.688 4.663 -4.405 135 HG22 THR 16 HG22 THR 16 7.762 3.987 -3.076 136 HG23 THR 16 HG23 THR 16 8.206 5.712 -3.055 137 H VAL 17 H VAL 17 7.310 4.869 -1.155 138 HA VAL 17 HA VAL 17 6.552 2.568 0.517 139 HB VAL 17 HB VAL 17 6.063 5.467 1.222 140 HG11 VAL 17 HG11 VAL 17 4.398 3.124 2.230 141 HG12 VAL 17 HG12 VAL 17 4.411 4.765 2.916 142 HG13 VAL 17 HG13 VAL 17 3.806 4.512 1.283 143 HG21 VAL 17 HG21 VAL 17 7.966 4.247 2.289 144 HG22 VAL 17 HG22 VAL 17 6.723 4.669 3.472 145 HG23 VAL 17 HG23 VAL 17 6.824 3.003 2.859 146 H TYR 18 H TYR 18 4.508 1.885 0.227 147 HA TYR 18 HA TYR 18 2.686 3.017 -1.730 148 HB2 TYR 18 HB2 TYR 18 2.866 1.278 -3.353 149 HB3 TYR 18 HB3 TYR 18 4.435 2.005 -3.169 150 HD1 TYR 18 HD1 TYR 18 6.064 0.687 -1.414 151 HD2 TYR 18 HD2 TYR 18 2.754 -0.983 -3.611 152 HE1 TYR 18 HE1 TYR 18 7.125 -1.534 -1.293 153 HE2 TYR 18 HE2 TYR 18 3.817 -3.255 -3.438 154 HH TYR 18 HH TYR 18 7.033 -3.714 -2.024 155 H TYR 19 H TYR 19 1.157 0.636 -2.203 156 HA TYR 19 HA TYR 19 0.653 -0.496 0.471 157 HB2 TYR 19 HB2 TYR 19 -1.203 1.147 -1.216 158 HB3 TYR 19 HB3 TYR 19 -1.850 -0.343 -0.573 159 HD1 TYR 19 HD1 TYR 19 0.011 2.706 0.552 160 HD2 TYR 19 HD2 TYR 19 -2.697 -0.455 1.593 161 HE1 TYR 19 HE1 TYR 19 -0.483 3.829 2.740 162 HE2 TYR 19 HE2 TYR 19 -3.238 0.684 3.744 163 HH TYR 19 HH TYR 19 -2.080 3.977 4.470 164 H PHE 20 H PHE 20 -0.181 -2.526 0.432 165 HA PHE 20 HA PHE 20 -0.107 -4.008 -2.161 166 HB2 PHE 20 HB2 PHE 20 1.982 -4.122 -0.833 167 HB3 PHE 20 HB3 PHE 20 1.066 -4.763 0.535 168 HD1 PHE 20 HD1 PHE 20 0.097 -7.073 0.429 169 HD2 PHE 20 HD2 PHE 20 2.578 -5.486 -2.713 170 HE1 PHE 20 HE1 PHE 20 0.321 -9.353 -0.561 171 HE2 PHE 20 HE2 PHE 20 2.703 -7.750 -3.755 172 HZ PHE 20 HZ PHE 20 1.538 -9.673 -2.673 173 H ASN 21 H ASN 21 -1.834 -5.333 -2.443 174 HA ASN 21 HA ASN 21 -3.764 -5.553 -0.213 175 HB2 ASN 21 HB2 ASN 21 -4.502 -4.770 -2.514 176 HB3 ASN 21 HB3 ASN 21 -4.196 -6.399 -3.068 177 HD21 ASN 21 HD21 ASN 21 -6.657 -4.391 -1.863 178 HD22 ASN 21 HD22 ASN 21 -7.633 -5.682 -1.171 179 H HIS 22 H HIS 22 -2.978 -7.145 1.169 180 HA HIS 22 HA HIS 22 -1.734 -9.535 -0.012 181 HB2 HIS 22 HB2 HIS 22 -1.460 -10.291 2.302 182 HB3 HIS 22 HB3 HIS 22 -0.787 -8.706 1.998 183 HD2 HIS 22 HD2 HIS 22 -1.367 -6.859 3.638 184 HE1 HIS 22 HE1 HIS 22 -4.405 -8.857 5.847 185 HE2 HIS 22 HE2 HIS 22 -2.725 -6.888 5.851 186 H ILE 23 H ILE 23 -4.922 -8.726 0.160 187 HA ILE 23 HA ILE 23 -5.851 -11.527 0.483 188 HB ILE 23 HB ILE 23 -7.158 -8.809 0.445 189 HG12 ILE 23 HG12 ILE 23 -7.136 -11.187 2.355 190 HG13 ILE 23 HG13 ILE 23 -6.280 -9.662 2.560 191 HG21 ILE 23 HG21 ILE 23 -8.693 -11.402 0.184 192 HG22 ILE 23 HG22 ILE 23 -9.358 -9.764 0.460 193 HG23 ILE 23 HG23 ILE 23 -8.551 -10.128 -1.058 194 HD11 ILE 23 HD11 ILE 23 -9.272 -10.140 2.748 195 HD12 ILE 23 HD12 ILE 23 -8.160 -9.594 4.010 196 HD13 ILE 23 HD13 ILE 23 -8.560 -8.515 2.660 197 H THR 24 H THR 24 -5.491 -9.005 -2.059 198 HA THR 24 HA THR 24 -6.284 -11.061 -4.086 199 HB THR 24 HB THR 24 -6.446 -9.300 -5.672 200 HG1 THR 24 HG1 THR 24 -6.080 -7.151 -5.017 201 HG21 THR 24 HG21 THR 24 -8.386 -9.579 -4.117 202 HG22 THR 24 HG22 THR 24 -7.728 -8.276 -3.105 203 HG23 THR 24 HG23 THR 24 -8.239 -7.940 -4.774 204 H ASN 25 H ASN 25 -3.467 -9.464 -2.952 205 HA ASN 25 HA ASN 25 -1.284 -9.756 -3.256 206 HB2 ASN 25 HB2 ASN 25 -1.733 -11.231 -5.880 207 HB3 ASN 25 HB3 ASN 25 -0.228 -11.071 -4.993 208 HD21 ASN 25 HD22 ASN 25 -3.374 -12.629 -5.013 209 HD22 ASN 25 HD21 ASN 25 -2.918 -13.888 -3.842 210 H ALA 26 H ALA 26 -3.294 -7.750 -4.779 211 HA ALA 26 HA ALA 26 -1.627 -6.644 -6.853 212 HB1 ALA 26 HB1 ALA 26 -4.087 -6.339 -6.690 213 HB2 ALA 26 HB2 ALA 26 -3.857 -5.349 -5.226 214 HB3 ALA 26 HB3 ALA 26 -3.232 -4.789 -6.790 215 H SER 27 H SER 27 -0.732 -4.401 -6.857 216 HA SER 27 HA SER 27 0.035 -3.223 -4.259 217 HB2 SER 27 HB2 SER 27 2.259 -2.622 -5.236 218 HB3 SER 27 HB3 SER 27 2.064 -4.291 -4.734 219 HG SER 27 HG SER 27 1.616 -3.359 -7.397 220 H GLN 28 H GLN 28 -0.067 -1.010 -4.289 221 HA GLN 28 HA GLN 28 -0.251 0.513 -6.811 222 HB2 GLN 28 HB2 GLN 28 -2.512 -0.379 -6.337 223 HB3 GLN 28 HB3 GLN 28 -2.485 0.355 -4.724 224 HG2 GLN 28 HG2 GLN 28 -2.538 2.570 -5.680 225 HG3 GLN 28 HG3 GLN 28 -2.233 1.933 -7.306 226 HE21 GLN 28 HE22 GLN 28 -4.214 3.347 -7.718 227 HE22 GLN 28 HE21 GLN 28 -5.775 2.512 -7.518 228 H PHE 29 H PHE 29 0.174 2.892 -6.350 229 HA PHE 29 HA PHE 29 1.753 3.088 -3.821 230 HB2 PHE 29 HB2 PHE 29 1.764 4.709 -6.361 231 HB3 PHE 29 HB3 PHE 29 2.610 5.171 -4.895 232 HD1 PHE 29 HD2 PHE 29 2.682 1.487 -5.751 233 HD2 PHE 29 HD1 PHE 29 4.690 5.319 -6.132 234 HE1 PHE 29 HE2 PHE 29 4.610 0.392 -6.709 235 HE2 PHE 29 HE1 PHE 29 6.684 4.149 -7.012 236 HZ PHE 29 HZ PHE 29 6.643 1.685 -7.330 237 H GLU 30 H GLU 30 -0.975 4.459 -5.500 238 HA GLU 30 HA GLU 30 -1.733 6.495 -3.669 239 HB2 GLU 30 HB2 GLU 30 -3.701 4.775 -5.184 240 HB3 GLU 30 HB3 GLU 30 -3.826 6.461 -4.720 241 HG2 GLU 30 HG2 GLU 30 -3.401 6.700 -6.963 242 HG3 GLU 30 HG3 GLU 30 -1.757 6.802 -6.348 243 H ARG 31 H ARG 31 -2.521 6.359 -1.663 244 HA ARG 31 HA ARG 31 -2.545 3.746 -0.345 245 HB2 ARG 31 HB2 ARG 31 -2.644 6.580 0.750 246 HB3 ARG 31 HB3 ARG 31 -2.418 5.120 1.699 247 HG2 ARG 31 HG2 ARG 31 -0.180 5.271 1.362 248 HG3 ARG 31 HG3 ARG 31 -0.416 4.981 -0.344 249 HD2 ARG 31 HD2 ARG 31 0.921 6.927 0.096 250 HD3 ARG 31 HD3 ARG 31 -0.613 7.447 -0.655 251 HE ARG 31 HE ARG 31 -0.832 7.448 2.234 252 HH11 ARG 31 HH21 ARG 31 0.618 9.521 -0.197 253 HH12 ARG 31 HH22 ARG 31 0.472 10.922 0.842 254 HH21 ARG 31 HH11 ARG 31 -0.984 8.991 3.379 255 HH22 ARG 31 HH12 ARG 31 -0.466 10.649 2.974 256 HA PRO 32 HA PRO 32 -7.101 3.646 -0.395 257 HB2 PRO 32 HB2 PRO 32 -6.363 1.409 1.503 258 HB3 PRO 32 HB3 PRO 32 -7.737 1.463 0.377 259 HG2 PRO 32 HG2 PRO 32 -5.740 0.214 -0.479 260 HG3 PRO 32 HG3 PRO 32 -6.162 1.444 -1.552 261 HD2 PRO 32 HD2 PRO 32 -3.981 1.729 0.525 262 HD3 PRO 32 HD3 PRO 32 -3.934 2.163 -1.209 263 H SER 33 H SER 33 -5.178 3.655 2.577 264 HA SER 33 HA SER 33 -7.128 5.414 3.917 265 HB2 SER 33 HB2 SER 33 -6.628 2.603 4.985 266 HB3 SER 33 HB3 SER 33 -7.522 3.889 5.826 267 HG SER 33 HG SER 33 -8.398 3.669 3.307 268 H GLY 34 H GLY 34 -4.914 6.476 3.409 269 HA2 GLY 34 HA2 GLY 34 -3.660 7.905 4.868 270 HA3 GLY 34 HA3 GLY 34 -3.467 6.578 6.017 271 H1 NAG 101 H1 NAG 35 11.157 2.331 -4.446 272 H2 NAG 101 H2 NAG 35 12.137 3.387 -7.155 273 H3 NAG 101 H3 NAG 35 9.290 2.710 -6.261 274 H4 NAG 101 H4 NAG 35 11.117 1.376 -8.330 275 H5 NAG 101 H5 NAG 35 10.048 0.410 -5.654 276 H61 NAG 101 H61 NAG 35 10.232 -1.556 -7.070 277 H62 NAG 101 H62 NAG 35 11.776 -0.990 -7.736 278 H81 NAG 101 H2M NAG 35 10.862 7.909 -6.590 279 H82 NAG 101 H3M NAG 35 11.723 7.230 -5.192 280 H83 NAG 101 H1M NAG 35 9.951 7.097 -5.299 281 HN2 NAG 101 H2N NAG 35 11.086 4.774 -4.836 282 HO3 NAG 101 H3O NAG 35 10.109 4.406 -8.129 283 HO4 NAG 101 H4O NAG 35 8.783 1.620 -8.584 284 HO6 NAG 101 H6O NAG 35 12.440 -0.956 -5.405 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -10.700 6.718 0.155 2 H2 LYS 1 H2 LYS 1 -9.329 6.000 0.605 3 H3 LYS 1 H3 LYS 1 -10.783 5.251 0.890 4 HA LYS 1 HA LYS 1 -11.030 5.514 -1.680 5 HB2 LYS 1 HB2 LYS 1 -8.027 5.502 -1.255 6 HB3 LYS 1 HB3 LYS 1 -8.809 5.043 -2.779 7 HG2 LYS 1 HG2 LYS 1 -9.866 7.197 -3.003 8 HG3 LYS 1 HG3 LYS 1 -9.186 7.773 -1.480 9 HD2 LYS 1 HD2 LYS 1 -7.236 6.677 -3.509 10 HD3 LYS 1 HD3 LYS 1 -8.058 8.171 -3.924 11 HE2 LYS 1 HE2 LYS 1 -5.909 8.627 -2.894 12 HE3 LYS 1 HE3 LYS 1 -7.236 9.305 -1.957 13 HZ1 LYS 1 HZ1 LYS 1 -6.902 7.700 -0.262 14 HZ2 LYS 1 HZ2 LYS 1 -5.981 6.712 -1.183 15 HZ3 LYS 1 HZ3 LYS 1 -5.362 8.150 -0.794 16 H LEU 2 H LEU 2 -8.399 3.289 -1.583 17 HA LEU 2 HA LEU 2 -10.230 1.312 -2.211 18 HB2 LEU 2 HB2 LEU 2 -7.442 0.404 -1.834 19 HB3 LEU 2 HB3 LEU 2 -8.606 -0.019 -2.963 20 HG LEU 2 HG LEU 2 -8.564 2.129 -4.150 21 HD11 LEU 2 HD11 LEU 2 -6.609 3.446 -4.215 22 HD12 LEU 2 HD12 LEU 2 -6.989 3.389 -2.485 23 HD13 LEU 2 HD13 LEU 2 -5.725 2.354 -3.147 24 HD21 LEU 2 HD21 LEU 2 -6.650 1.331 -5.508 25 HD22 LEU 2 HD22 LEU 2 -6.131 0.293 -4.164 26 HD23 LEU 2 HD23 LEU 2 -7.673 -0.013 -5.004 27 HA PRO 3 HA PRO 3 -11.488 -1.130 1.009 28 HB2 PRO 3 HB2 PRO 3 -10.257 -3.534 -0.363 29 HB3 PRO 3 HB3 PRO 3 -11.959 -3.346 0.185 30 HG2 PRO 3 HG2 PRO 3 -11.399 -3.099 -2.398 31 HG3 PRO 3 HG3 PRO 3 -12.376 -1.782 -1.636 32 HD2 PRO 3 HD2 PRO 3 -9.344 -1.882 -1.999 33 HD3 PRO 3 HD3 PRO 3 -10.474 -0.631 -2.555 34 HA PRO 4 HA PRO 4 -8.955 -3.128 4.212 35 HB2 PRO 4 HB2 PRO 4 -11.152 -5.212 4.135 36 HB3 PRO 4 HB3 PRO 4 -10.394 -4.435 5.562 37 HG2 PRO 4 HG2 PRO 4 -12.827 -3.613 4.707 38 HG3 PRO 4 HG3 PRO 4 -11.591 -2.398 5.175 39 HD2 PRO 4 HD2 PRO 4 -12.362 -3.328 2.405 40 HD3 PRO 4 HD3 PRO 4 -12.063 -1.666 3.002 41 H GLY 5 H GLY 5 -7.354 -4.746 4.092 42 HA2 GLY 5 HA2 GLY 5 -6.515 -6.906 3.073 43 HA3 GLY 5 HA3 GLY 5 -7.349 -6.423 1.607 44 H TRP 6 H TRP 6 -6.683 -3.457 1.534 45 HA TRP 6 HA TRP 6 -3.884 -3.625 0.766 46 HB2 TRP 6 HB2 TRP 6 -5.787 -1.388 1.268 47 HB3 TRP 6 HB3 TRP 6 -4.178 -1.211 0.594 48 HD1 TRP 6 HD1 TRP 6 -7.624 -1.781 -0.546 49 HE1 TRP 6 HE1 TRP 6 -7.673 -2.003 -3.043 50 HE3 TRP 6 HE3 TRP 6 -2.666 -1.988 -1.284 51 HZ2 TRP 6 HZ2 TRP 6 -5.711 -2.320 -5.215 52 HZ3 TRP 6 HZ3 TRP 6 -1.759 -1.947 -3.519 53 HH2 TRP 6 HH2 TRP 6 -3.237 -2.172 -5.546 54 H GLU 7 H GLU 7 -2.081 -3.056 1.850 55 HA GLU 7 HA GLU 7 -2.206 -1.685 4.475 56 HB2 GLU 7 HB2 GLU 7 -2.442 -4.242 4.659 57 HB3 GLU 7 HB3 GLU 7 -0.767 -4.350 4.138 58 HG2 GLU 7 HG2 GLU 7 -1.796 -2.845 6.593 59 HG3 GLU 7 HG3 GLU 7 -1.220 -4.508 6.618 60 H LYS 8 H LYS 8 0.015 -0.958 5.170 61 HA LYS 8 HA LYS 8 1.345 0.380 2.997 62 HB2 LYS 8 HB2 LYS 8 1.287 1.561 4.957 63 HB3 LYS 8 HB3 LYS 8 1.613 0.214 5.991 64 HG2 LYS 8 HG2 LYS 8 3.708 1.508 4.195 65 HG3 LYS 8 HG3 LYS 8 3.357 2.012 5.841 66 HD2 LYS 8 HD2 LYS 8 4.729 -0.542 4.969 67 HD3 LYS 8 HD3 LYS 8 5.296 0.750 5.976 68 HE2 LYS 8 HE2 LYS 8 4.966 -0.976 7.456 69 HE3 LYS 8 HE3 LYS 8 3.556 0.051 7.727 70 HZ1 LYS 8 HZ1 LYS 8 3.298 -2.542 7.427 71 HZ2 LYS 8 HZ2 LYS 8 2.159 -1.586 6.804 72 HZ3 LYS 8 HZ3 LYS 8 3.268 -2.190 5.817 73 H ARG 9 H ARG 9 3.373 0.118 2.081 74 HA ARG 9 HA ARG 9 4.962 -2.265 2.821 75 HB2 ARG 9 HB2 ARG 9 3.018 -2.563 0.970 76 HB3 ARG 9 HB3 ARG 9 4.191 -1.811 -0.074 77 HG2 ARG 9 HG2 ARG 9 4.203 -4.259 -0.189 78 HG3 ARG 9 HG3 ARG 9 5.759 -3.652 0.328 79 HD2 ARG 9 HD2 ARG 9 4.915 -5.721 1.547 80 HD3 ARG 9 HD3 ARG 9 5.535 -4.411 2.526 81 HE ARG 9 HE ARG 9 3.253 -3.782 3.180 82 HH11 ARG 9 HH11 ARG 9 3.326 -6.897 1.602 83 HH12 ARG 9 HH12 ARG 9 2.100 -7.560 2.648 84 HH21 ARG 9 HH21 ARG 9 1.707 -4.694 4.584 85 HH22 ARG 9 HH22 ARG 9 1.138 -6.271 4.170 86 H MET 10 H MET 10 7.153 -2.254 1.867 87 HA MET 10 HA MET 10 8.052 0.476 1.136 88 HB2 MET 10 HB2 MET 10 8.128 -0.035 3.652 89 HB3 MET 10 HB3 MET 10 9.402 -1.201 3.268 90 HG2 MET 10 HG2 MET 10 10.695 0.705 2.207 91 HG3 MET 10 HG3 MET 10 9.427 1.800 2.714 92 HE1 MET 10 HE1 MET 10 10.656 3.430 4.126 93 HE2 MET 10 HE2 MET 10 11.884 3.022 5.346 94 HE3 MET 10 HE3 MET 10 12.197 2.697 3.629 95 H PHE 11 H PHE 11 9.806 0.601 -0.196 96 HA PHE 11 HA PHE 11 10.609 -1.890 -1.533 97 HB2 PHE 11 HB2 PHE 11 10.939 1.044 -2.139 98 HB3 PHE 11 HB3 PHE 11 11.611 -0.231 -3.131 99 HD1 PHE 11 HD1 PHE 11 9.955 -2.118 -3.920 100 HD2 PHE 11 HD2 PHE 11 8.684 1.804 -2.627 101 HE1 PHE 11 HE1 PHE 11 7.955 -2.267 -5.387 102 HE2 PHE 11 HE2 PHE 11 6.827 1.725 -4.251 103 HZ PHE 11 HZ PHE 11 6.433 -0.333 -5.587 104 H ARG 12 H ARG 12 12.137 -2.909 -0.276 105 HA ARG 12 HA ARG 12 14.526 -1.717 0.707 106 HB2 ARG 12 HB2 ARG 12 15.516 -4.035 0.451 107 HB3 ARG 12 HB3 ARG 12 14.108 -3.852 1.471 108 HG2 ARG 12 HG2 ARG 12 13.951 -5.905 0.326 109 HG3 ARG 12 HG3 ARG 12 12.656 -4.878 -0.247 110 HD2 ARG 12 HD2 ARG 12 15.247 -5.055 -1.812 111 HD3 ARG 12 HD3 ARG 12 14.121 -6.398 -1.874 112 HE ARG 12 HE ARG 12 13.712 -3.663 -2.931 113 HH11 ARG 12 HH11 ARG 12 12.210 -6.787 -2.447 114 HH12 ARG 12 HH12 ARG 12 11.036 -6.558 -3.717 115 HH21 ARG 12 HH21 ARG 12 12.297 -3.451 -4.653 116 HH22 ARG 12 HH22 ARG 12 11.068 -4.666 -4.911 117 H SER 13 H SER 13 16.576 -1.527 -0.146 118 HA SER 13 HA SER 13 18.229 -1.112 -1.624 119 HB2 SER 13 HB2 SER 13 18.157 -1.250 -3.998 120 HB3 SER 13 HB3 SER 13 17.404 -2.704 -3.324 121 HG SER 13 HG SER 13 15.387 -1.671 -3.609 122 H ASN 14 H ASN 14 15.174 0.669 -1.597 123 HA ASN 14 HA ASN 14 16.904 3.066 -1.733 124 HB2 ASN 14 HB2 ASN 14 15.578 4.250 -3.333 125 HB3 ASN 14 HB3 ASN 14 16.118 2.731 -4.033 126 HD21 ASN 14 HD21 ASN 14 14.459 2.637 -5.617 127 H GLY 15 H GLY 15 13.932 1.629 -0.450 128 HA2 GLY 15 HA2 GLY 15 13.123 2.133 1.661 129 HA3 GLY 15 HA3 GLY 15 13.989 3.670 1.693 130 H THR 16 H THR 16 12.296 3.215 -1.235 131 HA THR 16 HA THR 16 10.277 5.224 -0.821 132 HB THR 16 HB THR 16 10.428 2.942 -2.824 133 HG1 THR 16 HG1 THR 16 12.143 4.114 -3.007 134 HG21 THR 16 HG21 THR 16 8.818 5.504 -3.054 135 HG22 THR 16 HG22 THR 16 9.082 4.287 -4.332 136 HG23 THR 16 HG23 THR 16 8.156 3.853 -2.911 137 H VAL 17 H VAL 17 7.865 4.680 -0.992 138 HA VAL 17 HA VAL 17 7.090 2.368 0.665 139 HB VAL 17 HB VAL 17 6.609 5.276 1.355 140 HG11 VAL 17 HG11 VAL 17 4.972 4.562 3.076 141 HG12 VAL 17 HG12 VAL 17 4.352 4.329 1.445 142 HG13 VAL 17 HG13 VAL 17 4.946 2.932 2.377 143 HG21 VAL 17 HG21 VAL 17 7.362 2.833 3.020 144 HG22 VAL 17 HG22 VAL 17 8.522 4.042 2.407 145 HG23 VAL 17 HG23 VAL 17 7.298 4.513 3.594 146 H TYR 18 H TYR 18 4.971 1.744 0.357 147 HA TYR 18 HA TYR 18 3.189 3.018 -1.534 148 HB2 TYR 18 HB2 TYR 18 3.184 1.277 -3.174 149 HB3 TYR 18 HB3 TYR 18 4.791 1.937 -3.061 150 HD1 TYR 18 HD1 TYR 18 6.421 0.505 -1.364 151 HD2 TYR 18 HD2 TYR 18 2.982 -0.948 -3.523 152 HE1 TYR 18 HE1 TYR 18 7.392 -1.746 -1.362 153 HE2 TYR 18 HE2 TYR 18 3.978 -3.259 -3.505 154 HH TYR 18 HH TYR 18 7.181 -3.893 -2.082 155 H TYR 19 H TYR 19 1.471 0.816 -2.028 156 HA TYR 19 HA TYR 19 0.942 -0.385 0.601 157 HB2 TYR 19 HB2 TYR 19 -0.838 1.473 -0.947 158 HB3 TYR 19 HB3 TYR 19 -1.574 0.024 -0.294 159 HD1 TYR 19 HD1 TYR 19 0.622 2.902 0.806 160 HD2 TYR 19 HD2 TYR 19 -2.335 -0.041 1.921 161 HE1 TYR 19 HE1 TYR 19 0.549 3.817 3.108 162 HE2 TYR 19 HE2 TYR 19 -2.553 1.011 4.146 163 HH TYR 19 HH TYR 19 -1.784 2.667 5.548 164 H PHE 20 H PHE 20 -0.047 -2.336 0.490 165 HA PHE 20 HA PHE 20 -0.080 -3.756 -2.125 166 HB2 PHE 20 HB2 PHE 20 2.061 -3.968 -0.951 167 HB3 PHE 20 HB3 PHE 20 1.256 -4.546 0.498 168 HD1 PHE 20 HD2 PHE 20 2.226 -5.388 -2.975 169 HD2 PHE 20 HD1 PHE 20 0.370 -6.853 0.631 170 HE1 PHE 20 HE2 PHE 20 2.321 -7.705 -3.864 171 HE2 PHE 20 HE1 PHE 20 0.569 -9.185 -0.234 172 HZ PHE 20 HZ PHE 20 1.505 -9.603 -2.474 173 H ASN 21 H ASN 21 -1.830 -4.972 -2.376 174 HA ASN 21 HA ASN 21 -3.707 -5.343 -0.142 175 HB2 ASN 21 HB2 ASN 21 -4.395 -4.726 -2.524 176 HB3 ASN 21 HB3 ASN 21 -4.018 -6.386 -2.944 177 HD21 ASN 21 HD22 ASN 21 -6.525 -4.331 -1.775 178 HD22 ASN 21 HD21 ASN 21 -7.488 -5.632 -1.087 179 H HIS 22 H HIS 22 -2.988 -6.819 1.345 180 HA HIS 22 HA HIS 22 -1.491 -9.184 0.456 181 HB2 HIS 22 HB2 HIS 22 -1.381 -9.780 2.793 182 HB3 HIS 22 HB3 HIS 22 -0.941 -8.098 2.566 183 HD2 HIS 22 HD2 HIS 22 -2.300 -6.291 3.850 184 HE1 HIS 22 HE1 HIS 22 -5.242 -8.816 5.622 185 HE2 HIS 22 HE2 HIS 22 -4.276 -6.445 5.586 186 H ILE 23 H ILE 23 -4.763 -8.521 0.338 187 HA ILE 23 HA ILE 23 -5.595 -11.340 0.712 188 HB ILE 23 HB ILE 23 -6.998 -8.670 0.538 189 HG12 ILE 23 HG12 ILE 23 -6.968 -10.965 2.539 190 HG13 ILE 23 HG13 ILE 23 -6.164 -9.407 2.701 191 HG21 ILE 23 HG21 ILE 23 -9.163 -9.718 0.510 192 HG22 ILE 23 HG22 ILE 23 -8.286 -10.093 -0.966 193 HG23 ILE 23 HG23 ILE 23 -8.418 -11.332 0.311 194 HD11 ILE 23 HD11 ILE 23 -8.474 -8.319 2.665 195 HD12 ILE 23 HD12 ILE 23 -9.145 -9.958 2.814 196 HD13 ILE 23 HD13 ILE 23 -8.090 -9.318 4.082 197 H THR 24 H THR 24 -5.226 -8.902 -1.890 198 HA THR 24 HA THR 24 -5.892 -11.044 -3.881 199 HB THR 24 HB THR 24 -6.243 -9.338 -5.486 200 HG1 THR 24 HG1 THR 24 -6.061 -7.147 -4.875 201 HG21 THR 24 HG21 THR 24 -8.119 -9.745 -3.877 202 HG22 THR 24 HG22 THR 24 -7.556 -8.359 -2.918 203 HG23 THR 24 HG23 THR 24 -8.130 -8.119 -4.583 204 H ASN 25 H ASN 25 -3.221 -9.177 -2.806 205 HA ASN 25 HA ASN 25 -1.024 -9.267 -3.164 206 HB2 ASN 25 HB2 ASN 25 -1.386 -10.876 -5.712 207 HB3 ASN 25 HB3 ASN 25 0.115 -10.533 -4.874 208 HD21 ASN 25 HD22 ASN 25 -2.861 -12.382 -4.744 209 HD22 ASN 25 HD21 ASN 25 -2.274 -13.517 -3.508 210 H ALA 26 H ALA 26 -3.221 -7.474 -4.711 211 HA ALA 26 HA ALA 26 -1.692 -6.246 -6.813 212 HB1 ALA 26 HB1 ALA 26 -3.397 -4.484 -6.658 213 HB2 ALA 26 HB2 ALA 26 -4.157 -6.081 -6.550 214 HB3 ALA 26 HB3 ALA 26 -3.923 -5.104 -5.079 215 H SER 27 H SER 27 -0.853 -3.968 -6.824 216 HA SER 27 HA SER 27 0.015 -2.839 -4.225 217 HB2 SER 27 HB2 SER 27 2.250 -2.355 -5.199 218 HB3 SER 27 HB3 SER 27 1.963 -4.036 -4.789 219 HG SER 27 HG SER 27 1.517 -2.933 -7.384 220 H GLN 28 H GLN 28 -0.014 -0.627 -4.188 221 HA GLN 28 HA GLN 28 0.441 0.922 -6.589 222 HB2 GLN 28 HB2 GLN 28 -1.493 2.311 -6.515 223 HB3 GLN 28 HB3 GLN 28 -2.004 0.656 -6.804 224 HG2 GLN 28 HG2 GLN 28 -3.093 0.486 -4.743 225 HG3 GLN 28 HG3 GLN 28 -2.049 1.659 -3.949 226 HE21 GLN 28 HE22 GLN 28 -3.042 3.594 -3.486 227 HE22 GLN 28 HE21 GLN 28 -4.287 4.284 -4.552 228 H PHE 29 H PHE 29 0.826 3.303 -5.989 229 HA PHE 29 HA PHE 29 2.266 3.168 -3.455 230 HB2 PHE 29 HB2 PHE 29 2.308 5.201 -5.662 231 HB3 PHE 29 HB3 PHE 29 3.279 5.281 -4.203 232 HD1 PHE 29 HD2 PHE 29 3.089 1.756 -5.394 233 HD2 PHE 29 HD1 PHE 29 5.120 5.570 -5.868 234 HE1 PHE 29 HE2 PHE 29 4.818 0.688 -6.700 235 HE2 PHE 29 HE1 PHE 29 6.937 4.412 -7.082 236 HZ PHE 29 HZ PHE 29 6.784 1.975 -7.527 237 H GLU 30 H GLU 30 -0.676 4.880 -4.446 238 HA GLU 30 HA GLU 30 -0.575 6.548 -2.016 239 HB2 GLU 30 HB2 GLU 30 -1.935 6.739 -4.481 240 HB3 GLU 30 HB3 GLU 30 -3.203 6.384 -3.327 241 HG2 GLU 30 HG2 GLU 30 -1.181 8.662 -3.118 242 HG3 GLU 30 HG3 GLU 30 -2.842 8.810 -3.695 243 H ARG 31 H ARG 31 -2.268 6.468 -0.434 244 HA ARG 31 HA ARG 31 -2.482 3.721 0.567 245 HB2 ARG 31 HB2 ARG 31 -3.601 6.078 2.034 246 HB3 ARG 31 HB3 ARG 31 -2.924 4.625 2.679 247 HG2 ARG 31 HG2 ARG 31 -0.857 5.486 2.848 248 HG3 ARG 31 HG3 ARG 31 -0.847 6.181 1.248 249 HD2 ARG 31 HD2 ARG 31 -2.052 7.344 3.802 250 HD3 ARG 31 HD3 ARG 31 -0.622 7.918 2.944 251 HE ARG 31 HE ARG 31 -2.100 8.504 1.018 252 HH11 ARG 31 HH21 ARG 31 -3.960 8.002 4.040 253 HH12 ARG 31 HH22 ARG 31 -5.401 8.533 3.132 254 HH21 ARG 31 HH12 ARG 31 -4.010 9.288 0.243 255 HH22 ARG 31 HH11 ARG 31 -5.406 9.265 1.383 256 HA PRO 32 HA PRO 32 -6.983 3.228 0.021 257 HB2 PRO 32 HB2 PRO 32 -5.958 0.934 1.753 258 HB3 PRO 32 HB3 PRO 32 -7.394 0.925 0.692 259 HG2 PRO 32 HG2 PRO 32 -5.438 0.207 -0.666 260 HG3 PRO 32 HG3 PRO 32 -6.033 1.694 -1.196 261 HD2 PRO 32 HD2 PRO 32 -3.797 1.488 0.849 262 HD3 PRO 32 HD3 PRO 32 -3.732 2.286 -0.756 263 H SER 33 H SER 33 -8.733 2.345 1.808 264 HA SER 33 HA SER 33 -10.152 3.062 3.340 265 HB2 SER 33 HB2 SER 33 -7.707 3.666 5.029 266 HB3 SER 33 HB3 SER 33 -9.384 3.625 5.601 267 HG SER 33 HG SER 33 -8.238 1.622 5.875 268 H GLY 34 H GLY 34 -7.564 5.527 3.599 269 HA2 GLY 34 HA2 GLY 34 -9.573 7.709 3.068 270 HA3 GLY 34 HA3 GLY 34 -8.120 7.917 4.050 271 H1 NAG 101 H1 NAG 35 11.785 1.949 -4.488 272 H2 NAG 101 H2 NAG 35 12.438 2.895 -7.325 273 H3 NAG 101 H3 NAG 35 9.795 1.871 -6.160 274 H4 NAG 101 H4 NAG 35 11.667 0.587 -8.223 275 H5 NAG 101 H5 NAG 35 10.994 -0.215 -5.370 276 H61 NAG 101 H61 NAG 35 11.377 -2.258 -6.665 277 H62 NAG 101 H62 NAG 35 12.849 -1.562 -7.372 278 H81 NAG 101 H2M NAG 35 10.632 7.222 -6.984 279 H82 NAG 101 H3M NAG 35 11.509 6.706 -5.527 280 H83 NAG 101 H1M NAG 35 9.758 6.421 -5.660 281 HN2 NAG 101 H2N NAG 35 11.356 4.296 -5.036 282 HO3 NAG 101 H3O NAG 35 10.189 3.466 -8.205 283 HO4 NAG 101 H4O NAG 35 9.290 0.427 -8.246 284 HO6 NAG 101 H6O NAG 35 13.608 -1.292 -5.179 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -7.431 6.611 -0.128 2 H2 LYS 1 H2 LYS 1 -7.223 5.969 -1.627 3 H3 LYS 1 H3 LYS 1 -6.934 5.081 -0.254 4 HA LYS 1 HA LYS 1 -9.217 5.188 0.413 5 HB2 LYS 1 HB2 LYS 1 -10.900 6.168 -1.244 6 HB3 LYS 1 HB3 LYS 1 -9.935 7.233 -0.253 7 HG2 LYS 1 HG2 LYS 1 -10.152 8.203 -2.408 8 HG3 LYS 1 HG3 LYS 1 -8.471 7.796 -2.145 9 HD2 LYS 1 HD2 LYS 1 -8.746 5.805 -3.663 10 HD3 LYS 1 HD3 LYS 1 -10.458 6.227 -3.854 11 HE2 LYS 1 HE2 LYS 1 -9.413 7.086 -5.783 12 HE3 LYS 1 HE3 LYS 1 -9.642 8.493 -4.729 13 HZ1 LYS 1 HZ1 LYS 1 -7.103 6.975 -5.182 14 HZ2 LYS 1 HZ2 LYS 1 -7.388 8.586 -5.476 15 HZ3 LYS 1 HZ3 LYS 1 -7.273 7.913 -3.944 16 H LEU 2 H LEU 2 -8.594 2.888 0.193 17 HA LEU 2 HA LEU 2 -10.096 1.639 -1.911 18 HB2 LEU 2 HB2 LEU 2 -7.373 0.463 -1.830 19 HB3 LEU 2 HB3 LEU 2 -8.614 0.243 -2.906 20 HG LEU 2 HG LEU 2 -8.545 2.351 -3.987 21 HD11 LEU 2 HD11 LEU 2 -6.873 3.496 -2.297 22 HD12 LEU 2 HD12 LEU 2 -5.648 2.619 -3.218 23 HD13 LEU 2 HD13 LEU 2 -6.716 3.762 -4.041 24 HD21 LEU 2 HD21 LEU 2 -6.121 0.511 -4.141 25 HD22 LEU 2 HD22 LEU 2 -7.698 0.237 -4.920 26 HD23 LEU 2 HD23 LEU 2 -6.701 1.589 -5.432 27 HA PRO 3 HA PRO 3 -11.594 -1.256 0.787 28 HB2 PRO 3 HB2 PRO 3 -10.165 -3.448 -0.759 29 HB3 PRO 3 HB3 PRO 3 -11.889 -3.447 -0.234 30 HG2 PRO 3 HG2 PRO 3 -11.339 -2.837 -2.756 31 HG3 PRO 3 HG3 PRO 3 -12.379 -1.672 -1.846 32 HD2 PRO 3 HD2 PRO 3 -9.350 -1.593 -2.212 33 HD3 PRO 3 HD3 PRO 3 -10.513 -0.299 -2.577 34 HA PRO 4 HA PRO 4 -9.105 -3.293 3.976 35 HB2 PRO 4 HB2 PRO 4 -10.759 -5.434 4.617 36 HB3 PRO 4 HB3 PRO 4 -10.975 -3.764 5.225 37 HG2 PRO 4 HG2 PRO 4 -12.338 -5.085 2.865 38 HG3 PRO 4 HG3 PRO 4 -13.079 -4.096 4.166 39 HD2 PRO 4 HD2 PRO 4 -12.524 -3.011 1.784 40 HD3 PRO 4 HD3 PRO 4 -12.177 -2.088 3.268 41 H GLY 5 H GLY 5 -7.558 -4.890 3.886 42 HA2 GLY 5 HA2 GLY 5 -6.683 -7.032 2.876 43 HA3 GLY 5 HA3 GLY 5 -7.480 -6.541 1.393 44 H TRP 6 H TRP 6 -6.813 -3.549 1.387 45 HA TRP 6 HA TRP 6 -4.010 -3.733 0.682 46 HB2 TRP 6 HB2 TRP 6 -5.879 -1.452 1.182 47 HB3 TRP 6 HB3 TRP 6 -4.254 -1.297 0.551 48 HD1 TRP 6 HD1 TRP 6 -7.665 -1.658 -0.665 49 HE1 TRP 6 HE1 TRP 6 -7.668 -1.853 -3.198 50 HE3 TRP 6 HE3 TRP 6 -2.721 -2.226 -1.334 51 HZ2 TRP 6 HZ2 TRP 6 -5.718 -2.226 -5.314 52 HZ3 TRP 6 HZ3 TRP 6 -1.779 -2.219 -3.568 53 HH2 TRP 6 HH2 TRP 6 -3.240 -2.268 -5.609 54 H GLU 7 H GLU 7 -2.208 -3.184 1.781 55 HA GLU 7 HA GLU 7 -2.352 -1.832 4.420 56 HB2 GLU 7 HB2 GLU 7 -2.481 -4.409 4.561 57 HB3 GLU 7 HB3 GLU 7 -0.809 -4.432 4.025 58 HG2 GLU 7 HG2 GLU 7 -1.897 -3.050 6.526 59 HG3 GLU 7 HG3 GLU 7 -1.196 -4.663 6.495 60 H LYS 8 H LYS 8 -0.148 -1.031 5.078 61 HA LYS 8 HA LYS 8 1.164 0.320 2.890 62 HB2 LYS 8 HB2 LYS 8 1.074 1.548 4.806 63 HB3 LYS 8 HB3 LYS 8 1.372 0.233 5.886 64 HG2 LYS 8 HG2 LYS 8 3.699 1.057 4.148 65 HG3 LYS 8 HG3 LYS 8 3.116 2.210 5.315 66 HD2 LYS 8 HD2 LYS 8 4.930 0.913 6.247 67 HD3 LYS 8 HD3 LYS 8 3.466 0.754 7.198 68 HE2 LYS 8 HE2 LYS 8 4.232 -1.343 5.148 69 HE3 LYS 8 HE3 LYS 8 5.008 -1.321 6.720 70 HZ1 LYS 8 HZ1 LYS 8 3.014 -1.863 7.794 71 HZ2 LYS 8 HZ2 LYS 8 2.030 -1.422 6.571 72 HZ3 LYS 8 HZ3 LYS 8 2.832 -2.737 6.393 73 H ARG 9 H ARG 9 3.208 0.061 2.000 74 HA ARG 9 HA ARG 9 4.816 -2.294 2.767 75 HB2 ARG 9 HB2 ARG 9 2.908 -2.630 0.884 76 HB3 ARG 9 HB3 ARG 9 4.085 -1.857 -0.142 77 HG2 ARG 9 HG2 ARG 9 4.134 -4.308 -0.254 78 HG3 ARG 9 HG3 ARG 9 5.675 -3.673 0.274 79 HD2 ARG 9 HD2 ARG 9 4.823 -5.762 1.482 80 HD3 ARG 9 HD3 ARG 9 5.457 -4.456 2.458 81 HE ARG 9 HE ARG 9 3.162 -3.803 3.097 82 HH11 ARG 9 HH21 ARG 9 3.231 -6.954 1.599 83 HH12 ARG 9 HH22 ARG 9 2.022 -7.588 2.683 84 HH21 ARG 9 HH12 ARG 9 1.661 -4.672 4.551 85 HH22 ARG 9 HH11 ARG 9 1.076 -6.254 4.183 86 H MET 10 H MET 10 7.038 -2.184 1.958 87 HA MET 10 HA MET 10 7.847 0.561 1.134 88 HB2 MET 10 HB2 MET 10 7.862 0.218 3.651 89 HB3 MET 10 HB3 MET 10 9.140 -0.978 3.400 90 HG2 MET 10 HG2 MET 10 10.459 0.882 2.220 91 HG3 MET 10 HG3 MET 10 9.221 2.000 2.736 92 HE1 MET 10 HE1 MET 10 11.826 3.054 3.664 93 HE2 MET 10 HE2 MET 10 10.249 3.623 4.250 94 HE3 MET 10 HE3 MET 10 11.554 3.271 5.404 95 H PHE 11 H PHE 11 9.523 0.728 -0.222 96 HA PHE 11 HA PHE 11 10.656 -1.701 -1.406 97 HB2 PHE 11 HB2 PHE 11 10.835 1.249 -2.042 98 HB3 PHE 11 HB3 PHE 11 11.611 -0.016 -2.980 99 HD1 PHE 11 HD2 PHE 11 10.104 -1.970 -3.839 100 HD2 PHE 11 HD1 PHE 11 8.551 1.878 -2.605 101 HE1 PHE 11 HE2 PHE 11 8.169 -2.241 -5.367 102 HE2 PHE 11 HE1 PHE 11 6.763 1.681 -4.292 103 HZ PHE 11 HZ PHE 11 6.540 -0.394 -5.626 104 H ARG 12 H ARG 12 12.128 -2.568 0.001 105 HA ARG 12 HA ARG 12 14.325 -1.158 1.243 106 HB2 ARG 12 HB2 ARG 12 13.683 -4.030 0.498 107 HB3 ARG 12 HB3 ARG 12 15.337 -3.608 0.901 108 HG2 ARG 12 HG2 ARG 12 14.097 -4.508 2.824 109 HG3 ARG 12 HG3 ARG 12 14.792 -2.924 3.102 110 HD2 ARG 12 HD2 ARG 12 12.565 -3.168 4.139 111 HD3 ARG 12 HD3 ARG 12 12.657 -1.837 2.996 112 HE ARG 12 HE ARG 12 10.887 -2.757 1.891 113 HH11 ARG 12 HH22 ARG 12 12.379 -5.528 3.436 114 HH12 ARG 12 HH21 ARG 12 11.175 -6.619 2.801 115 HH21 ARG 12 HH11 ARG 12 9.504 -4.050 1.125 116 HH22 ARG 12 HH12 ARG 12 9.514 -5.785 1.458 117 H SER 13 H SER 13 16.368 -0.844 0.487 118 HA SER 13 HA SER 13 18.117 -0.495 -0.886 119 HB2 SER 13 HB2 SER 13 18.301 -0.998 -3.194 120 HB3 SER 13 HB3 SER 13 17.563 -2.387 -2.380 121 HG SER 13 HG SER 13 15.530 -1.591 -3.041 122 H ASN 14 H ASN 14 14.989 1.042 -1.298 123 HA ASN 14 HA ASN 14 16.599 3.500 -1.663 124 HB2 ASN 14 HB2 ASN 14 15.321 4.436 -3.408 125 HB3 ASN 14 HB3 ASN 14 15.845 2.841 -3.923 126 HD21 ASN 14 HD21 ASN 14 14.205 2.789 -5.546 127 H GLY 15 H GLY 15 13.699 2.046 -0.297 128 HA2 GLY 15 HA2 GLY 15 12.903 2.627 1.796 129 HA3 GLY 15 HA3 GLY 15 13.644 4.222 1.712 130 H THR 16 H THR 16 12.008 3.501 -1.170 131 HA THR 16 HA THR 16 9.871 5.400 -0.817 132 HB THR 16 HB THR 16 10.188 3.130 -2.812 133 HG1 THR 16 HG1 THR 16 11.856 4.357 -2.942 134 HG21 THR 16 HG21 THR 16 8.824 4.509 -4.353 135 HG22 THR 16 HG22 THR 16 7.891 3.910 -2.995 136 HG23 THR 16 HG23 THR 16 8.440 5.609 -3.007 137 H VAL 17 H VAL 17 7.514 4.725 -1.049 138 HA VAL 17 HA VAL 17 6.810 2.395 0.610 139 HB VAL 17 HB VAL 17 6.172 5.285 1.273 140 HG11 VAL 17 HG11 VAL 17 4.582 4.478 3.002 141 HG12 VAL 17 HG12 VAL 17 3.982 4.188 1.373 142 HG13 VAL 17 HG13 VAL 17 4.668 2.843 2.317 143 HG21 VAL 17 HG21 VAL 17 7.090 2.920 2.969 144 HG22 VAL 17 HG22 VAL 17 8.161 4.203 2.346 145 HG23 VAL 17 HG23 VAL 17 6.903 4.597 3.524 146 H TYR 18 H TYR 18 4.715 1.689 0.251 147 HA TYR 18 HA TYR 18 2.920 2.919 -1.664 148 HB2 TYR 18 HB2 TYR 18 2.973 1.166 -3.298 149 HB3 TYR 18 HB3 TYR 18 4.560 1.878 -3.182 150 HD1 TYR 18 HD1 TYR 18 6.231 0.522 -1.487 151 HD2 TYR 18 HD2 TYR 18 2.837 -1.077 -3.599 152 HE1 TYR 18 HE1 TYR 18 7.289 -1.695 -1.467 153 HE2 TYR 18 HE2 TYR 18 3.897 -3.354 -3.544 154 HH TYR 18 HH TYR 18 7.210 -3.823 -2.481 155 H TYR 19 H TYR 19 1.237 0.649 -2.119 156 HA TYR 19 HA TYR 19 0.883 -0.585 0.528 157 HB2 TYR 19 HB2 TYR 19 -1.124 1.093 -0.960 158 HB3 TYR 19 HB3 TYR 19 -1.674 -0.352 -0.155 159 HD1 TYR 19 HD1 TYR 19 0.475 2.670 0.718 160 HD2 TYR 19 HD2 TYR 19 -2.599 -0.097 1.947 161 HE1 TYR 19 HE1 TYR 19 0.381 3.741 2.942 162 HE2 TYR 19 HE2 TYR 19 -2.856 1.140 4.076 163 HH TYR 19 HH TYR 19 -2.324 3.371 5.050 164 H PHE 20 H PHE 20 -0.140 -2.541 0.434 165 HA PHE 20 HA PHE 20 -0.136 -3.986 -2.168 166 HB2 PHE 20 HB2 PHE 20 1.970 -4.199 -0.951 167 HB3 PHE 20 HB3 PHE 20 1.135 -4.739 0.497 168 HD1 PHE 20 HD1 PHE 20 2.230 -5.674 -2.901 169 HD2 PHE 20 HD2 PHE 20 0.140 -7.032 0.630 170 HE1 PHE 20 HE1 PHE 20 2.332 -8.011 -3.729 171 HE2 PHE 20 HE2 PHE 20 0.316 -9.374 -0.190 172 HZ PHE 20 HZ PHE 20 1.386 -9.862 -2.351 173 H ASN 21 H ASN 21 -1.876 -5.238 -2.433 174 HA ASN 21 HA ASN 21 -3.800 -5.477 -0.226 175 HB2 ASN 21 HB2 ASN 21 -4.437 -4.819 -2.602 176 HB3 ASN 21 HB3 ASN 21 -4.122 -6.491 -3.031 177 HD21 ASN 21 HD22 ASN 21 -6.587 -4.363 -1.970 178 HD22 ASN 21 HD21 ASN 21 -7.605 -5.613 -1.271 179 H HIS 22 H HIS 22 -3.196 -6.987 1.259 180 HA HIS 22 HA HIS 22 -1.762 -9.402 0.411 181 HB2 HIS 22 HB2 HIS 22 -1.684 -9.969 2.743 182 HB3 HIS 22 HB3 HIS 22 -1.234 -8.291 2.522 183 HD2 HIS 22 HD2 HIS 22 -2.601 -6.471 3.786 184 HE1 HIS 22 HE1 HIS 22 -5.587 -8.977 5.511 185 HE2 HIS 22 HE2 HIS 22 -4.604 -6.613 5.489 186 H ILE 23 H ILE 23 -4.988 -8.640 0.155 187 HA ILE 23 HA ILE 23 -5.905 -11.447 0.479 188 HB ILE 23 HB ILE 23 -7.259 -8.745 0.363 189 HG12 ILE 23 HG12 ILE 23 -7.249 -11.062 2.342 190 HG13 ILE 23 HG13 ILE 23 -6.423 -9.517 2.519 191 HG21 ILE 23 HG21 ILE 23 -8.707 -11.393 0.122 192 HG22 ILE 23 HG22 ILE 23 -9.437 -9.775 0.340 193 HG23 ILE 23 HG23 ILE 23 -8.574 -10.144 -1.144 194 HD11 ILE 23 HD11 ILE 23 -8.714 -8.395 2.507 195 HD12 ILE 23 HD12 ILE 23 -9.412 -10.026 2.636 196 HD13 ILE 23 HD13 ILE 23 -8.342 -9.420 3.908 197 H THR 24 H THR 24 -5.436 -8.932 -2.029 198 HA THR 24 HA THR 24 -6.158 -10.972 -4.108 199 HB THR 24 HB THR 24 -6.463 -9.200 -5.626 200 HG1 THR 24 HG1 THR 24 -6.172 -7.049 -4.996 201 HG21 THR 24 HG21 THR 24 -7.741 -8.255 -3.028 202 HG22 THR 24 HG22 THR 24 -8.303 -7.930 -4.682 203 HG23 THR 24 HG23 THR 24 -8.360 -9.581 -4.037 204 H ASN 25 H ASN 25 -3.430 -9.408 -2.875 205 HA ASN 25 HA ASN 25 -1.221 -9.613 -3.268 206 HB2 ASN 25 HB2 ASN 25 -2.028 -11.743 -4.616 207 HB3 ASN 25 HB3 ASN 25 -1.502 -10.817 -6.009 208 HD21 ASN 25 HD22 ASN 25 0.794 -9.636 -5.400 209 HD22 ASN 25 HD21 ASN 25 1.985 -10.857 -4.891 210 H ALA 26 H ALA 26 -3.341 -7.801 -4.901 211 HA ALA 26 HA ALA 26 -1.782 -6.454 -6.888 212 HB1 ALA 26 HB1 ALA 26 -3.983 -5.276 -5.144 213 HB2 ALA 26 HB2 ALA 26 -3.439 -4.656 -6.714 214 HB3 ALA 26 HB3 ALA 26 -4.240 -6.234 -6.625 215 H SER 27 H SER 27 -0.893 -4.217 -6.884 216 HA SER 27 HA SER 27 -0.022 -3.103 -4.283 217 HB2 SER 27 HB2 SER 27 2.168 -2.504 -5.330 218 HB3 SER 27 HB3 SER 27 1.963 -4.184 -4.870 219 HG SER 27 HG SER 27 1.439 -3.153 -7.483 220 H GLN 28 H GLN 28 -0.143 -0.883 -4.231 221 HA GLN 28 HA GLN 28 -0.227 0.708 -6.708 222 HB2 GLN 28 HB2 GLN 28 -2.567 0.104 -6.294 223 HB3 GLN 28 HB3 GLN 28 -2.476 0.696 -4.633 224 HG2 GLN 28 HG2 GLN 28 -2.291 2.973 -5.346 225 HG3 GLN 28 HG3 GLN 28 -1.967 2.518 -7.023 226 HE21 GLN 28 HE22 GLN 28 -4.384 4.313 -5.759 227 HE22 GLN 28 HE21 GLN 28 -5.656 3.406 -6.494 228 H PHE 29 H PHE 29 0.626 2.839 -6.311 229 HA PHE 29 HA PHE 29 2.107 3.037 -3.803 230 HB2 PHE 29 HB2 PHE 29 2.056 4.757 -6.269 231 HB3 PHE 29 HB3 PHE 29 2.992 5.128 -4.830 232 HD1 PHE 29 HD2 PHE 29 2.890 1.458 -5.673 233 HD2 PHE 29 HD1 PHE 29 4.980 5.225 -6.258 234 HE1 PHE 29 HE2 PHE 29 4.713 0.293 -6.743 235 HE2 PHE 29 HE1 PHE 29 6.875 3.978 -7.244 236 HZ PHE 29 HZ PHE 29 6.737 1.514 -7.519 237 H GLU 30 H GLU 30 -0.952 4.209 -4.840 238 HA GLU 30 HA GLU 30 -1.210 6.407 -2.970 239 HB2 GLU 30 HB2 GLU 30 -2.736 5.811 -4.974 240 HB3 GLU 30 HB3 GLU 30 -3.402 4.549 -3.930 241 HG2 GLU 30 HG2 GLU 30 -3.856 6.518 -2.245 242 HG3 GLU 30 HG3 GLU 30 -3.555 7.562 -3.624 243 H ARG 31 H ARG 31 -2.384 6.292 -0.976 244 HA ARG 31 HA ARG 31 -2.086 3.800 0.613 245 HB2 ARG 31 HB2 ARG 31 -2.997 6.566 1.372 246 HB3 ARG 31 HB3 ARG 31 -2.645 5.251 2.500 247 HG2 ARG 31 HG2 ARG 31 -0.417 5.655 2.502 248 HG3 ARG 31 HG3 ARG 31 -0.341 6.159 0.821 249 HD2 ARG 31 HD2 ARG 31 0.131 7.913 2.632 250 HD3 ARG 31 HD3 ARG 31 -0.973 8.369 1.342 251 HE ARG 31 HE ARG 31 -1.743 7.714 4.166 252 HH11 ARG 31 HH12 ARG 31 -2.754 9.254 1.104 253 HH12 ARG 31 HH11 ARG 31 -4.423 9.301 1.723 254 HH21 ARG 31 HH21 ARG 31 -4.098 7.783 4.554 255 HH22 ARG 31 HH22 ARG 31 -4.940 8.824 3.450 256 HA PRO 32 HA PRO 32 -6.588 3.238 -0.056 257 HB2 PRO 32 HB2 PRO 32 -5.558 0.881 1.567 258 HB3 PRO 32 HB3 PRO 32 -7.098 0.968 0.644 259 HG2 PRO 32 HG2 PRO 32 -5.255 0.181 -0.909 260 HG3 PRO 32 HG3 PRO 32 -5.876 1.667 -1.350 261 HD2 PRO 32 HD2 PRO 32 -3.369 1.460 0.269 262 HD3 PRO 32 HD3 PRO 32 -3.665 2.371 -1.242 263 H SER 33 H SER 33 -4.872 3.030 3.037 264 HA SER 33 HA SER 33 -7.134 3.739 4.690 265 HB2 SER 33 HB2 SER 33 -5.501 3.825 6.479 266 HB3 SER 33 HB3 SER 33 -5.188 2.392 5.477 267 HG SER 33 HG SER 33 -3.978 4.919 5.196 268 H GLY 34 H GLY 34 -7.745 5.532 3.216 269 HA2 GLY 34 HA2 GLY 34 -8.441 7.779 3.663 270 HA3 GLY 34 HA3 GLY 34 -6.853 8.160 4.325 271 H1 NAG 101 H1 NAG 35 11.460 2.294 -4.501 272 H2 NAG 101 H2 NAG 35 12.291 3.335 -7.264 273 H3 NAG 101 H3 NAG 35 9.509 2.531 -6.263 274 H4 NAG 101 H4 NAG 35 11.330 1.191 -8.334 275 H5 NAG 101 H5 NAG 35 10.426 0.321 -5.569 276 H61 NAG 101 H61 NAG 35 10.617 -1.697 -6.938 277 H62 NAG 101 H62 NAG 35 12.160 -1.133 -7.612 278 H81 NAG 101 H2M NAG 35 9.952 6.929 -5.380 279 H82 NAG 101 H3M NAG 35 10.725 7.778 -6.737 280 H83 NAG 101 H1M NAG 35 11.712 7.190 -5.381 281 HN2 NAG 101 H2N NAG 35 11.194 4.697 -4.943 282 HO3 NAG 101 H3O NAG 35 10.179 4.197 -8.200 283 HO4 NAG 101 H4O NAG 35 8.975 1.314 -8.489 284 HO6 NAG 101 H6O NAG 35 12.867 -1.026 -5.333
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