NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572533 | 2ru6 | 11547 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -8.145 -12.845 6.889 2 H2 MET 1 H2 MET 1 -7.627 -14.371 7.222 3 H3 MET 1 H3 MET 1 -8.938 -14.156 6.256 4 HA MET 1 HA MET 1 -7.066 -14.744 4.900 5 HB2 MET 1 HB2 MET 1 -8.848 -13.109 4.105 6 HB3 MET 1 HB3 MET 1 -7.768 -11.796 4.509 7 HG2 MET 1 HG2 MET 1 -6.199 -12.437 2.839 8 HG3 MET 1 HG3 MET 1 -6.830 -14.078 2.806 9 HE1 MET 1 HE1 MET 1 -8.050 -10.349 2.174 10 HE2 MET 1 HE2 MET 1 -6.779 -10.741 0.982 11 HE3 MET 1 HE3 MET 1 -8.450 -10.485 0.441 12 H GLN 2 H GLN 2 -4.841 -14.834 4.888 13 HA GLN 2 HA GLN 2 -3.319 -12.551 6.050 14 HB2 GLN 2 HB2 GLN 2 -2.810 -14.754 6.982 15 HB3 GLN 2 HB3 GLN 2 -2.421 -15.379 5.371 16 HG2 GLN 2 HG2 GLN 2 -0.487 -13.956 5.186 17 HG3 GLN 2 HG3 GLN 2 -1.004 -12.966 6.560 18 HE21 GLN 2 1HE2 GLN 2 -0.991 -13.989 8.768 19 HE22 GLN 2 2HE2 GLN 2 0.116 -15.359 9.005 20 H ILE 3 H ILE 3 -1.942 -11.386 4.733 21 HA ILE 3 HA ILE 3 -1.591 -12.144 1.886 22 HB ILE 3 HB ILE 3 -2.092 -9.942 1.059 23 HG12 ILE 3 2HG1 ILE 3 -3.037 -9.161 3.850 24 HG13 ILE 3 3HG1 ILE 3 -1.531 -8.629 3.101 25 HG21 ILE 3 1HG2 ILE 3 -4.502 -10.862 2.658 26 HG22 ILE 3 2HG2 ILE 3 -4.485 -10.008 1.099 27 HG23 ILE 3 3HG2 ILE 3 -3.906 -11.671 1.189 28 HD11 ILE 3 3HD1 ILE 3 -2.798 -7.521 1.281 29 HD12 ILE 3 1HD1 ILE 3 -4.320 -7.948 2.104 30 HD13 ILE 3 2HD1 ILE 3 -3.156 -6.873 2.896 31 H PHE 4 H PHE 4 0.098 -10.854 0.821 32 HA PHE 4 HA PHE 4 2.263 -10.152 2.724 33 HB2 PHE 4 HB2 PHE 4 2.430 -11.857 0.231 34 HB3 PHE 4 HB3 PHE 4 3.802 -11.339 1.195 35 HD1 PHE 4 HD1 PHE 4 3.835 -12.027 3.731 36 HD2 PHE 4 HD2 PHE 4 1.255 -13.832 0.780 37 HE1 PHE 4 HE1 PHE 4 3.495 -13.989 5.217 38 HE2 PHE 4 HE2 PHE 4 0.892 -15.775 2.287 39 HZ PHE 4 HZ PHE 4 1.991 -15.840 4.515 40 H VAL 5 H VAL 5 3.767 -8.593 2.169 41 HA VAL 5 HA VAL 5 3.449 -7.297 -0.492 42 HB VAL 5 HB VAL 5 4.313 -5.648 1.853 43 HG11 VAL 5 1HG1 VAL 5 4.875 -4.761 -0.365 44 HG12 VAL 5 2HG1 VAL 5 3.193 -4.972 -0.903 45 HG13 VAL 5 3HG1 VAL 5 3.593 -3.797 0.369 46 HG21 VAL 5 3HG2 VAL 5 1.479 -5.991 0.798 47 HG22 VAL 5 1HG2 VAL 5 2.058 -6.380 2.435 48 HG23 VAL 5 2HG2 VAL 5 2.015 -4.697 1.899 49 H LYS 6 H LYS 6 5.138 -6.892 -1.731 50 HA LYS 6 HA LYS 6 7.736 -8.119 -0.938 51 HB2 LYS 6 HB2 LYS 6 6.779 -9.237 -2.789 52 HB3 LYS 6 HB3 LYS 6 6.184 -7.756 -3.491 53 HG2 LYS 6 HG2 LYS 6 7.857 -8.542 -4.891 54 HG3 LYS 6 HG3 LYS 6 8.428 -7.052 -4.147 55 HD2 LYS 6 HD2 LYS 6 9.818 -8.448 -2.558 56 HD3 LYS 6 HD3 LYS 6 9.184 -9.918 -3.360 57 HE2 LYS 6 HE2 LYS 6 10.014 -8.891 -5.570 58 HE3 LYS 6 HE3 LYS 6 10.844 -7.670 -4.591 59 HZ1 LYS 6 HZ1 LYS 6 12.017 -9.549 -3.486 60 HZ2 LYS 6 HZ2 LYS 6 12.373 -9.349 -5.076 61 HZ3 LYS 6 HZ3 LYS 6 11.366 -10.595 -4.607 62 H THR 7 H THR 7 8.892 -6.545 0.004 63 HA THR 7 HA THR 7 9.043 -3.850 -1.155 64 HB THR 7 HB THR 7 10.689 -3.404 0.609 65 HG1 THR 7 HG1 THR 7 10.385 -5.924 1.709 66 HG21 THR 7 1HG2 THR 7 8.308 -3.334 1.325 67 HG22 THR 7 2HG2 THR 7 9.405 -3.809 2.633 68 HG23 THR 7 3HG2 THR 7 8.411 -5.037 1.817 69 H LEU 8 H LEU 8 11.076 -2.913 -1.776 70 HA LEU 8 HA LEU 8 12.424 -4.394 -3.818 71 HB2 LEU 8 HB2 LEU 8 13.283 -1.736 -2.590 72 HB3 LEU 8 HB3 LEU 8 13.715 -2.401 -4.153 73 HG LEU 8 HG LEU 8 11.021 -2.347 -4.499 74 HD11 LEU 8 1HD1 LEU 8 10.533 -1.323 -2.256 75 HD12 LEU 8 2HD1 LEU 8 10.107 -0.247 -3.576 76 HD13 LEU 8 3HD1 LEU 8 11.601 0.033 -2.664 77 HD21 LEU 8 3HD2 LEU 8 11.314 -0.192 -5.652 78 HD22 LEU 8 1HD2 LEU 8 12.672 -1.273 -5.968 79 HD23 LEU 8 2HD2 LEU 8 12.864 0.062 -4.811 80 H THR 9 H THR 9 13.337 -3.582 -0.470 81 HA THR 9 HA THR 9 16.098 -4.495 -0.646 82 HB THR 9 HB THR 9 15.889 -4.116 1.905 83 HG1 THR 9 HG1 THR 9 14.049 -3.148 2.593 84 HG21 THR 9 1HG2 THR 9 16.742 -2.354 0.393 85 HG22 THR 9 2HG2 THR 9 15.804 -1.686 1.737 86 HG23 THR 9 3HG2 THR 9 15.078 -1.785 0.115 87 H GLY 10 H GLY 10 13.685 -6.464 -1.122 88 HA2 GLY 10 HA2 GLY 10 13.486 -8.752 -0.856 89 HA3 GLY 10 HA3 GLY 10 15.107 -8.725 -0.150 90 H LYS 11 H LYS 11 12.245 -7.103 1.235 91 HA LYS 11 HA LYS 11 12.091 -9.210 3.365 92 HB2 LYS 11 HB2 LYS 11 11.896 -6.197 3.673 93 HB3 LYS 11 HB3 LYS 11 11.407 -7.336 4.927 94 HG2 LYS 11 HG2 LYS 11 14.207 -7.322 3.715 95 HG3 LYS 11 HG3 LYS 11 13.769 -6.348 5.104 96 HD2 LYS 11 HD2 LYS 11 13.604 -8.114 6.545 97 HD3 LYS 11 HD3 LYS 11 13.126 -9.285 5.323 98 HE2 LYS 11 HE2 LYS 11 15.904 -8.073 5.310 99 HE3 LYS 11 HE3 LYS 11 15.514 -9.425 6.384 100 HZ1 LYS 11 HZ1 LYS 11 15.069 -10.819 4.583 101 HZ2 LYS 11 HZ2 LYS 11 16.431 -10.046 4.127 102 HZ3 LYS 11 HZ3 LYS 11 14.993 -9.610 3.466 103 H THR 12 H THR 12 10.371 -10.344 3.177 104 HA THR 12 HA THR 12 7.931 -9.385 1.985 105 HB THR 12 HB THR 12 8.125 -11.977 3.479 106 HG1 THR 12 HG1 THR 12 8.872 -12.835 1.492 107 HG21 THR 12 1HG2 THR 12 6.680 -11.147 0.923 108 HG22 THR 12 2HG2 THR 12 5.933 -11.311 2.530 109 HG23 THR 12 3HG2 THR 12 6.595 -12.737 1.720 110 H ILE 13 H ILE 13 6.503 -8.118 2.944 111 HA ILE 13 HA ILE 13 6.292 -8.062 5.896 112 HB ILE 13 HB ILE 13 4.535 -6.556 3.977 113 HG12 ILE 13 2HG1 ILE 13 6.746 -5.989 3.192 114 HG13 ILE 13 3HG1 ILE 13 6.033 -4.633 4.027 115 HG21 ILE 13 1HG2 ILE 13 3.797 -6.503 6.275 116 HG22 ILE 13 2HG2 ILE 13 5.402 -5.991 6.834 117 HG23 ILE 13 3HG2 ILE 13 4.416 -4.912 5.830 118 HD11 ILE 13 3HD1 ILE 13 8.157 -6.504 5.184 119 HD12 ILE 13 1HD1 ILE 13 8.409 -4.853 4.602 120 HD13 ILE 13 2HD1 ILE 13 7.427 -5.131 6.044 121 H THR 14 H THR 14 4.855 -9.224 6.973 122 HA THR 14 HA THR 14 2.585 -10.557 5.634 123 HB THR 14 HB THR 14 3.366 -10.993 8.500 124 HG1 THR 14 HG1 THR 14 4.643 -12.662 7.795 125 HG21 THR 14 1HG2 THR 14 1.900 -12.666 6.426 126 HG22 THR 14 2HG2 THR 14 1.241 -11.990 7.927 127 HG23 THR 14 3HG2 THR 14 2.445 -13.284 8.003 128 H LEU 15 H LEU 15 0.468 -10.038 5.885 129 HA LEU 15 HA LEU 15 -0.329 -8.340 8.197 130 HB2 LEU 15 HB2 LEU 15 -1.084 -7.886 5.295 131 HB3 LEU 15 HB3 LEU 15 -1.867 -7.080 6.649 132 HG LEU 15 HG LEU 15 1.095 -6.827 6.030 133 HD11 LEU 15 1HD1 LEU 15 -1.183 -4.925 5.346 134 HD12 LEU 15 2HD1 LEU 15 -0.288 -5.934 4.185 135 HD13 LEU 15 3HD1 LEU 15 0.552 -4.644 5.058 136 HD21 LEU 15 3HD2 LEU 15 -0.721 -5.139 7.805 137 HD22 LEU 15 1HD2 LEU 15 1.003 -4.843 7.468 138 HD23 LEU 15 2HD2 LEU 15 0.524 -6.278 8.372 139 H GLU 16 H GLU 16 -2.258 -8.630 8.993 140 HA GLU 16 HA GLU 16 -3.884 -10.991 8.163 141 HB2 GLU 16 HB2 GLU 16 -2.785 -10.164 10.707 142 HB3 GLU 16 HB3 GLU 16 -4.511 -9.931 10.791 143 HG2 GLU 16 HG2 GLU 16 -4.343 -12.049 11.588 144 HG3 GLU 16 HG3 GLU 16 -4.697 -12.384 9.885 145 H VAL 17 H VAL 17 -5.898 -10.575 7.353 146 HA VAL 17 HA VAL 17 -7.387 -8.047 7.886 147 HB VAL 17 HB VAL 17 -7.610 -7.766 5.355 148 HG11 VAL 17 1HG1 VAL 17 -4.812 -7.272 6.436 149 HG12 VAL 17 2HG1 VAL 17 -5.622 -6.435 5.099 150 HG13 VAL 17 3HG1 VAL 17 -6.240 -6.255 6.746 151 HG21 VAL 17 3HG2 VAL 17 -5.092 -9.474 5.226 152 HG22 VAL 17 1HG2 VAL 17 -6.697 -9.912 4.600 153 HG23 VAL 17 2HG2 VAL 17 -5.829 -8.549 3.905 154 H GLU 18 H GLU 18 -9.529 -8.083 6.850 155 HA GLU 18 HA GLU 18 -10.715 -10.805 6.512 156 HB2 GLU 18 HB2 GLU 18 -12.000 -8.042 6.602 157 HB3 GLU 18 HB3 GLU 18 -12.833 -9.505 6.101 158 HG2 GLU 18 HG2 GLU 18 -12.077 -10.507 8.376 159 HG3 GLU 18 HG3 GLU 18 -11.722 -8.845 8.849 160 HA PRO 19 HA PRO 19 -10.434 -10.380 1.995 161 HB2 PRO 19 HB2 PRO 19 -12.658 -11.742 1.163 162 HB3 PRO 19 HB3 PRO 19 -11.208 -12.558 1.804 163 HG2 PRO 19 HG2 PRO 19 -13.747 -11.846 3.306 164 HG3 PRO 19 HG3 PRO 19 -12.891 -13.416 3.266 165 HD2 PRO 19 HD2 PRO 19 -12.514 -11.661 5.291 166 HD3 PRO 19 HD3 PRO 19 -11.149 -12.616 4.647 167 H SER 20 H SER 20 -13.208 -9.426 3.876 168 HA SER 20 HA SER 20 -14.542 -7.748 1.966 169 HB2 SER 20 HB2 SER 20 -14.543 -7.715 5.027 170 HB3 SER 20 HB3 SER 20 -15.795 -7.003 3.949 171 HG SER 20 HG SER 20 -16.075 -9.249 4.898 172 H ASP 21 H ASP 21 -11.560 -7.208 3.704 173 HA ASP 21 HA ASP 21 -11.988 -4.633 4.608 174 HB2 ASP 21 HB2 ASP 21 -9.460 -6.136 4.100 175 HB3 ASP 21 HB3 ASP 21 -9.398 -4.441 4.463 176 H THR 22 H THR 22 -11.875 -2.627 4.099 177 HA THR 22 HA THR 22 -11.938 -1.835 1.281 178 HB THR 22 HB THR 22 -11.887 0.499 2.406 179 HG1 THR 22 HG1 THR 22 -12.285 0.602 4.560 180 HG21 THR 22 1HG2 THR 22 -13.964 -0.512 1.596 181 HG22 THR 22 2HG2 THR 22 -14.236 0.367 3.119 182 HG23 THR 22 3HG2 THR 22 -14.142 -1.416 3.126 183 H ILE 23 H ILE 23 -10.272 -0.683 0.224 184 HA ILE 23 HA ILE 23 -7.639 -1.491 0.844 185 HB ILE 23 HB ILE 23 -8.622 0.752 -0.948 186 HG12 ILE 23 2HG1 ILE 23 -9.457 -1.359 -1.738 187 HG13 ILE 23 3HG1 ILE 23 -8.188 -0.835 -2.796 188 HG21 ILE 23 1HG2 ILE 23 -5.844 -0.445 -0.713 189 HG22 ILE 23 2HG2 ILE 23 -6.412 0.477 -2.133 190 HG23 ILE 23 3HG2 ILE 23 -6.347 1.265 -0.554 191 HD11 ILE 23 3HD1 ILE 23 -6.618 -2.467 -1.703 192 HD12 ILE 23 1HD1 ILE 23 -7.979 -3.039 -0.703 193 HD13 ILE 23 2HD1 ILE 23 -8.026 -3.226 -2.457 194 H GLU 24 H GLU 24 -9.278 1.379 1.968 195 HA GLU 24 HA GLU 24 -7.080 2.775 3.180 196 HB2 GLU 24 HB2 GLU 24 -8.891 3.702 4.659 197 HB3 GLU 24 HB3 GLU 24 -9.043 4.013 2.934 198 HG2 GLU 24 HG2 GLU 24 -10.950 2.813 2.692 199 HG3 GLU 24 HG3 GLU 24 -10.380 1.521 3.745 200 H ASN 25 H ASN 25 -9.221 0.166 4.551 201 HA ASN 25 HA ASN 25 -8.122 0.205 7.176 202 HB2 ASN 25 HB2 ASN 25 -9.805 -1.632 5.528 203 HB3 ASN 25 HB3 ASN 25 -8.856 -2.446 6.743 204 HD21 ASN 25 1HD2 ASN 25 -11.656 -0.516 6.212 205 HD22 ASN 25 2HD2 ASN 25 -12.094 -0.419 7.910 206 H VAL 26 H VAL 26 -7.071 -1.544 4.279 207 HA VAL 26 HA VAL 26 -4.812 -2.815 5.551 208 HB VAL 26 HB VAL 26 -4.957 -2.214 2.611 209 HG11 VAL 26 1HG1 VAL 26 -3.847 -4.582 4.199 210 HG12 VAL 26 2HG1 VAL 26 -3.790 -4.398 2.433 211 HG13 VAL 26 3HG1 VAL 26 -2.879 -3.285 3.464 212 HG21 VAL 26 3HG2 VAL 26 -6.173 -4.408 2.360 213 HG22 VAL 26 1HG2 VAL 26 -6.463 -4.406 4.109 214 HG23 VAL 26 2HG2 VAL 26 -7.155 -3.143 3.072 215 H LYS 27 H LYS 27 -5.106 0.231 3.715 216 HA LYS 27 HA LYS 27 -2.318 1.018 3.870 217 HB2 LYS 27 HB2 LYS 27 -4.924 2.335 3.224 218 HB3 LYS 27 HB3 LYS 27 -3.759 3.386 3.983 219 HG2 LYS 27 HG2 LYS 27 -3.447 3.709 1.718 220 HG3 LYS 27 HG3 LYS 27 -2.064 2.735 2.220 221 HD2 LYS 27 HD2 LYS 27 -3.034 0.740 1.199 222 HD3 LYS 27 HD3 LYS 27 -4.579 1.586 0.959 223 HE2 LYS 27 HE2 LYS 27 -3.448 3.233 -0.526 224 HE3 LYS 27 HE3 LYS 27 -1.955 2.290 -0.416 225 HZ1 LYS 27 HZ1 LYS 27 -4.545 1.239 -1.425 226 HZ2 LYS 27 HZ2 LYS 27 -3.108 0.443 -1.469 227 HZ3 LYS 27 HZ3 LYS 27 -3.372 1.773 -2.413 228 H ALA 28 H ALA 28 -4.926 1.181 6.253 229 HA ALA 28 HA ALA 28 -3.326 2.779 8.111 230 HB1 ALA 28 HB1 ALA 28 -5.156 2.327 9.684 231 HB2 ALA 28 HB2 ALA 28 -5.786 2.856 8.111 232 HB3 ALA 28 HB3 ALA 28 -5.860 1.140 8.562 233 H LYS 29 H LYS 29 -4.356 -0.680 8.125 234 HA LYS 29 HA LYS 29 -2.910 -1.536 10.364 235 HB2 LYS 29 HB2 LYS 29 -3.760 -2.974 7.823 236 HB3 LYS 29 HB3 LYS 29 -2.858 -3.811 9.092 237 HG2 LYS 29 HG2 LYS 29 -4.566 -3.273 10.753 238 HG3 LYS 29 HG3 LYS 29 -5.514 -2.401 9.534 239 HD2 LYS 29 HD2 LYS 29 -6.243 -4.363 8.501 240 HD3 LYS 29 HD3 LYS 29 -4.743 -5.219 8.844 241 HE2 LYS 29 HE2 LYS 29 -6.342 -6.342 10.119 242 HE3 LYS 29 HE3 LYS 29 -5.404 -5.380 11.262 243 HZ1 LYS 29 HZ1 LYS 29 -8.146 -4.847 10.266 244 HZ2 LYS 29 HZ2 LYS 29 -7.280 -3.709 11.087 245 HZ3 LYS 29 HZ3 LYS 29 -7.656 -5.122 11.827 246 H ILE 30 H ILE 30 -1.586 -1.213 7.084 247 HA ILE 30 HA ILE 30 0.872 -2.543 7.652 248 HB ILE 30 HB ILE 30 -0.128 -1.840 5.378 249 HG12 ILE 30 2HG1 ILE 30 2.847 -1.412 5.844 250 HG13 ILE 30 3HG1 ILE 30 2.068 -2.990 5.807 251 HG21 ILE 30 1HG2 ILE 30 -0.222 0.623 5.922 252 HG22 ILE 30 2HG2 ILE 30 1.541 0.664 5.717 253 HG23 ILE 30 3HG2 ILE 30 0.491 0.209 4.364 254 HD11 ILE 30 3HD1 ILE 30 1.265 -2.538 3.465 255 HD12 ILE 30 1HD1 ILE 30 2.262 -1.062 3.460 256 HD13 ILE 30 2HD1 ILE 30 3.023 -2.654 3.630 257 H GLN 31 H GLN 31 -0.116 0.702 8.597 258 HA GLN 31 HA GLN 31 2.698 1.497 9.048 259 HB2 GLN 31 HB2 GLN 31 0.084 3.005 9.044 260 HB3 GLN 31 HB3 GLN 31 1.560 3.689 9.735 261 HG2 GLN 31 HG2 GLN 31 2.542 4.066 7.729 262 HG3 GLN 31 HG3 GLN 31 1.993 2.535 7.064 263 HE21 GLN 31 1HE2 GLN 31 1.016 3.028 5.171 264 HE22 GLN 31 2HE2 GLN 31 -0.379 4.104 5.108 265 H ASP 32 H ASP 32 -0.275 0.799 10.895 266 HA ASP 32 HA ASP 32 0.973 1.164 13.478 267 HB2 ASP 32 HB2 ASP 32 -1.553 -0.035 12.429 268 HB3 ASP 32 HB3 ASP 32 -0.950 -0.753 13.911 269 H LYS 33 H LYS 33 0.674 -1.755 11.418 270 HA LYS 33 HA LYS 33 1.940 -3.477 13.349 271 HB2 LYS 33 HB2 LYS 33 0.373 -4.148 11.508 272 HB3 LYS 33 HB3 LYS 33 1.647 -3.935 10.339 273 HG2 LYS 33 HG2 LYS 33 2.106 -5.741 12.730 274 HG3 LYS 33 HG3 LYS 33 1.114 -6.314 11.409 275 HD2 LYS 33 HD2 LYS 33 2.849 -6.241 9.813 276 HD3 LYS 33 HD3 LYS 33 3.906 -5.290 10.875 277 HE2 LYS 33 HE2 LYS 33 4.013 -7.185 12.512 278 HE3 LYS 33 HE3 LYS 33 3.023 -8.148 11.358 279 HZ1 LYS 33 HZ1 LYS 33 5.622 -6.943 10.641 280 HZ2 LYS 33 HZ2 LYS 33 4.747 -7.958 9.697 281 HZ3 LYS 33 HZ3 LYS 33 5.496 -8.520 11.113 282 H GLU 34 H GLU 34 3.227 -1.972 10.415 283 HA GLU 34 HA GLU 34 5.989 -2.831 11.221 284 HB2 GLU 34 HB2 GLU 34 4.793 -3.873 9.124 285 HB3 GLU 34 HB3 GLU 34 5.134 -2.360 8.362 286 HG2 GLU 34 HG2 GLU 34 6.981 -3.594 7.758 287 HG3 GLU 34 HG3 GLU 34 7.630 -2.724 9.156 288 H GLY 35 H GLY 35 4.350 -0.330 9.235 289 HA2 GLY 35 HA2 GLY 35 4.797 2.062 9.735 290 HA3 GLY 35 HA3 GLY 35 6.481 1.650 10.035 291 H ILE 36 H ILE 36 4.131 1.104 7.316 292 HA ILE 36 HA ILE 36 6.189 2.200 5.420 293 HB ILE 36 HB ILE 36 4.065 0.125 4.904 294 HG12 ILE 36 2HG1 ILE 36 7.119 -0.055 5.007 295 HG13 ILE 36 3HG1 ILE 36 6.029 -0.684 6.241 296 HG21 ILE 36 1HG2 ILE 36 4.983 -0.065 2.651 297 HG22 ILE 36 2HG2 ILE 36 4.485 1.587 2.904 298 HG23 ILE 36 3HG2 ILE 36 6.206 1.170 3.006 299 HD11 ILE 36 3HD1 ILE 36 5.084 -2.294 4.625 300 HD12 ILE 36 1HD1 ILE 36 6.268 -1.745 3.406 301 HD13 ILE 36 2HD1 ILE 36 6.822 -2.497 4.907 302 HA PRO 37 HA PRO 37 2.711 5.246 5.351 303 HB2 PRO 37 HB2 PRO 37 4.138 7.552 5.457 304 HB3 PRO 37 HB3 PRO 37 3.925 6.508 6.897 305 HG2 PRO 37 HG2 PRO 37 6.281 6.577 4.977 306 HG3 PRO 37 HG3 PRO 37 6.315 6.669 6.769 307 HD2 PRO 37 HD2 PRO 37 6.693 4.323 5.419 308 HD3 PRO 37 HD3 PRO 37 5.849 4.385 6.993 309 HA PRO 38 HA PRO 38 2.641 5.946 0.996 310 HB2 PRO 38 HB2 PRO 38 1.130 8.218 0.656 311 HB3 PRO 38 HB3 PRO 38 0.480 6.668 1.270 312 HG2 PRO 38 HG2 PRO 38 1.400 9.062 2.901 313 HG3 PRO 38 HG3 PRO 38 -0.144 8.167 3.033 314 HD2 PRO 38 HD2 PRO 38 1.945 7.633 4.666 315 HD3 PRO 38 HD3 PRO 38 0.920 6.313 4.047 316 H ASP 39 H ASP 39 3.777 8.855 2.746 317 HA ASP 39 HA ASP 39 4.848 10.067 0.443 318 HB2 ASP 39 HB2 ASP 39 5.101 10.608 3.356 319 HB3 ASP 39 HB3 ASP 39 6.226 11.419 2.264 320 H GLN 40 H GLN 40 5.907 7.296 0.886 321 HA GLN 40 HA GLN 40 8.705 7.859 0.011 322 HB2 GLN 40 HB2 GLN 40 8.615 7.536 2.445 323 HB3 GLN 40 HB3 GLN 40 7.908 5.949 2.246 324 HG2 GLN 40 HG2 GLN 40 10.571 6.702 0.950 325 HG3 GLN 40 HG3 GLN 40 10.493 6.268 2.659 326 HE21 GLN 40 1HE2 GLN 40 12.024 4.766 0.761 327 HE22 GLN 40 2HE2 GLN 40 11.236 3.205 0.633 328 H ASN 41 H ASN 41 5.783 5.962 -0.469 329 HA ASN 41 HA ASN 41 7.078 4.291 -2.522 330 HB2 ASN 41 HB2 ASN 41 6.510 2.185 -1.259 331 HB3 ASN 41 HB3 ASN 41 7.710 3.145 -0.454 332 HD21 ASN 41 1HD2 ASN 41 7.308 3.716 1.645 333 HD22 ASN 41 2HD2 ASN 41 5.671 3.855 2.308 334 H ARG 42 H ARG 42 5.351 2.525 -3.317 335 HA ARG 42 HA ARG 42 2.560 3.279 -2.831 336 HB2 ARG 42 HB2 ARG 42 3.441 4.875 -4.609 337 HB3 ARG 42 HB3 ARG 42 3.581 3.497 -5.699 338 HG2 ARG 42 HG2 ARG 42 1.185 3.194 -5.735 339 HG3 ARG 42 HG3 ARG 42 0.956 4.274 -4.343 340 HD2 ARG 42 HD2 ARG 42 1.703 6.212 -5.618 341 HD3 ARG 42 HD3 ARG 42 2.142 5.191 -6.985 342 HE ARG 42 HE ARG 42 -0.113 4.861 -7.566 343 HH11 ARG 42 1HH1 ARG 42 0.051 7.344 -5.081 344 HH12 ARG 42 2HH1 ARG 42 -1.439 8.038 -5.613 345 HH21 ARG 42 1HH2 ARG 42 -1.948 5.655 -8.072 346 HH22 ARG 42 2HH2 ARG 42 -2.792 6.820 -7.077 347 H LEU 43 H LEU 43 1.430 1.441 -2.677 348 HA LEU 43 HA LEU 43 2.639 -1.118 -3.243 349 HB2 LEU 43 HB2 LEU 43 -0.050 -0.215 -2.163 350 HB3 LEU 43 HB3 LEU 43 0.191 -1.878 -2.662 351 HG LEU 43 HG LEU 43 2.132 -2.078 -1.103 352 HD11 LEU 43 1HD1 LEU 43 2.308 -0.484 0.771 353 HD12 LEU 43 2HD1 LEU 43 1.094 0.572 0.020 354 HD13 LEU 43 3HD1 LEU 43 2.677 0.329 -0.745 355 HD21 LEU 43 3HD2 LEU 43 -0.534 -1.304 0.162 356 HD22 LEU 43 1HD2 LEU 43 0.723 -2.334 0.886 357 HD23 LEU 43 2HD2 LEU 43 -0.144 -2.888 -0.553 358 H ILE 44 H ILE 44 2.550 -2.413 -4.923 359 HA ILE 44 HA ILE 44 0.509 -1.922 -7.103 360 HB ILE 44 HB ILE 44 3.258 -3.168 -7.373 361 HG12 ILE 44 2HG1 ILE 44 3.610 -0.866 -6.811 362 HG13 ILE 44 3HG1 ILE 44 4.016 -1.153 -8.495 363 HG21 ILE 44 1HG2 ILE 44 1.827 -3.977 -9.141 364 HG22 ILE 44 2HG2 ILE 44 1.221 -2.342 -9.481 365 HG23 ILE 44 3HG2 ILE 44 2.907 -2.769 -9.829 366 HD11 ILE 44 3HD1 ILE 44 1.450 0.198 -7.538 367 HD12 ILE 44 1HD1 ILE 44 2.875 1.001 -8.216 368 HD13 ILE 44 2HD1 ILE 44 1.913 -0.084 -9.233 369 H PHE 45 H PHE 45 -0.645 -3.668 -8.008 370 HA PHE 45 HA PHE 45 0.222 -6.376 -7.300 371 HB2 PHE 45 HB2 PHE 45 -1.244 -6.126 -5.532 372 HB3 PHE 45 HB3 PHE 45 -2.455 -5.347 -6.529 373 HD1 PHE 45 HD2 PHE 45 -3.940 -6.598 -8.037 374 HD2 PHE 45 HD1 PHE 45 -1.099 -8.597 -5.474 375 HE1 PHE 45 HE2 PHE 45 -5.181 -8.727 -8.314 376 HE2 PHE 45 HE1 PHE 45 -2.357 -10.723 -5.752 377 HZ PHE 45 HZ PHE 45 -4.399 -10.788 -7.170 378 H ALA 46 H ALA 46 0.323 -7.739 -8.916 379 HA ALA 46 HA ALA 46 0.319 -8.424 -11.088 380 HB1 ALA 46 HB1 ALA 46 -2.674 -8.019 -10.725 381 HB2 ALA 46 HB2 ALA 46 -1.876 -9.149 -11.839 382 HB3 ALA 46 HB3 ALA 46 -1.738 -9.384 -10.087 383 H GLY 47 H GLY 47 1.209 -5.933 -11.201 384 HA2 GLY 47 HA2 GLY 47 1.697 -4.267 -12.733 385 HA3 GLY 47 HA3 GLY 47 0.461 -4.927 -13.810 386 H LYS 48 H LYS 48 -1.572 -4.551 -11.473 387 HA LYS 48 HA LYS 48 -2.304 -1.781 -12.187 388 HB2 LYS 48 HB2 LYS 48 -3.758 -4.153 -11.010 389 HB3 LYS 48 HB3 LYS 48 -4.444 -2.535 -10.849 390 HG2 LYS 48 HG2 LYS 48 -4.602 -2.205 -13.191 391 HG3 LYS 48 HG3 LYS 48 -3.547 -3.571 -13.562 392 HD2 LYS 48 HD2 LYS 48 -5.196 -5.180 -12.988 393 HD3 LYS 48 HD3 LYS 48 -6.255 -3.963 -12.237 394 HE2 LYS 48 HE2 LYS 48 -6.794 -2.952 -14.328 395 HE3 LYS 48 HE3 LYS 48 -5.470 -3.771 -15.168 396 HZ1 LYS 48 HZ1 LYS 48 -6.610 -5.769 -15.163 397 HZ2 LYS 48 HZ2 LYS 48 -7.807 -4.676 -15.500 398 HZ3 LYS 48 HZ3 LYS 48 -7.716 -5.298 -14.010 399 H GLN 49 H GLN 49 -2.807 -0.151 -10.791 400 HA GLN 49 HA GLN 49 -1.397 -0.117 -8.167 401 HB2 GLN 49 HB2 GLN 49 -2.922 2.063 -9.664 402 HB3 GLN 49 HB3 GLN 49 -2.018 2.272 -8.163 403 HG2 GLN 49 HG2 GLN 49 0.089 1.731 -9.370 404 HG3 GLN 49 HG3 GLN 49 -0.819 1.545 -10.875 405 HE21 GLN 49 1HE2 GLN 49 -0.588 3.437 -12.146 406 HE22 GLN 49 2HE2 GLN 49 -0.604 5.046 -11.448 407 H LEU 50 H LEU 50 -2.554 0.739 -6.274 408 HA LEU 50 HA LEU 50 -5.381 -0.206 -6.102 409 HB2 LEU 50 HB2 LEU 50 -3.183 -0.594 -4.053 410 HB3 LEU 50 HB3 LEU 50 -4.841 -1.183 -3.956 411 HG LEU 50 HG LEU 50 -2.710 -2.141 -5.927 412 HD11 LEU 50 1HD1 LEU 50 -2.804 -4.188 -4.563 413 HD12 LEU 50 2HD1 LEU 50 -3.965 -3.427 -3.470 414 HD13 LEU 50 3HD1 LEU 50 -2.305 -2.794 -3.599 415 HD21 LEU 50 3HD2 LEU 50 -4.348 -3.960 -6.422 416 HD22 LEU 50 1HD2 LEU 50 -4.935 -2.381 -6.929 417 HD23 LEU 50 2HD2 LEU 50 -5.558 -3.114 -5.436 418 H GLU 51 H GLU 51 -6.724 1.396 -5.485 419 HA GLU 51 HA GLU 51 -5.774 3.574 -3.696 420 HB2 GLU 51 HB2 GLU 51 -6.912 3.539 -6.446 421 HB3 GLU 51 HB3 GLU 51 -7.568 4.757 -5.332 422 HG2 GLU 51 HG2 GLU 51 -5.079 5.326 -4.809 423 HG3 GLU 51 HG3 GLU 51 -4.664 4.293 -6.186 424 H ASP 52 H ASP 52 -7.667 4.947 -2.817 425 HA ASP 52 HA ASP 52 -9.208 3.157 -1.222 426 HB2 ASP 52 HB2 ASP 52 -10.226 5.308 -0.263 427 HB3 ASP 52 HB3 ASP 52 -8.555 4.887 0.007 428 H GLY 53 H GLY 53 -11.567 3.760 -0.618 429 HA2 GLY 53 HA2 GLY 53 -13.804 3.650 -1.183 430 HA3 GLY 53 HA3 GLY 53 -13.386 4.109 -2.839 431 H ARG 54 H ARG 54 -11.487 1.691 -2.932 432 HA ARG 54 HA ARG 54 -13.475 -0.400 -3.643 433 HB2 ARG 54 HB2 ARG 54 -10.503 -0.036 -4.137 434 HB3 ARG 54 HB3 ARG 54 -11.410 -1.421 -4.725 435 HG2 ARG 54 HG2 ARG 54 -12.613 1.204 -5.515 436 HG3 ARG 54 HG3 ARG 54 -10.964 0.947 -6.118 437 HD2 ARG 54 HD2 ARG 54 -11.616 -1.212 -7.063 438 HD3 ARG 54 HD3 ARG 54 -13.267 -1.014 -6.437 439 HE ARG 54 HE ARG 54 -12.776 1.210 -8.111 440 HH11 ARG 54 1HH1 ARG 54 -13.177 -2.304 -8.422 441 HH12 ARG 54 2HH1 ARG 54 -13.777 -2.131 -10.053 442 HH21 ARG 54 1HH2 ARG 54 -13.370 1.228 -10.329 443 HH22 ARG 54 2HH2 ARG 54 -13.818 -0.309 -11.050 444 H THR 55 H THR 55 -12.671 -2.738 -3.284 445 HA THR 55 HA THR 55 -11.460 -3.105 -0.606 446 HB THR 55 HB THR 55 -12.810 -4.794 0.092 447 HG1 THR 55 HG1 THR 55 -14.273 -5.825 -1.261 448 HG21 THR 55 1HG2 THR 55 -14.833 -3.146 -1.478 449 HG22 THR 55 2HG2 THR 55 -14.101 -2.640 0.064 450 HG23 THR 55 3HG2 THR 55 -15.101 -4.093 0.001 451 H LEU 56 H LEU 56 -10.479 -5.237 -0.175 452 HA LEU 56 HA LEU 56 -8.440 -5.881 -2.045 453 HB2 LEU 56 HB2 LEU 56 -9.755 -7.460 0.193 454 HB3 LEU 56 HB3 LEU 56 -8.349 -8.069 -0.672 455 HG LEU 56 HG LEU 56 -8.364 -5.479 0.947 456 HD11 LEU 56 1HD1 LEU 56 -8.576 -7.577 2.305 457 HD12 LEU 56 2HD1 LEU 56 -7.058 -6.716 2.580 458 HD13 LEU 56 3HD1 LEU 56 -7.073 -8.173 1.557 459 HD21 LEU 56 3HD2 LEU 56 -6.687 -5.324 -0.789 460 HD22 LEU 56 1HD2 LEU 56 -6.183 -7.014 -0.535 461 HD23 LEU 56 2HD2 LEU 56 -5.832 -5.787 0.687 462 H SER 57 H SER 57 -11.445 -7.786 -1.399 463 HA SER 57 HA SER 57 -10.868 -9.671 -3.458 464 HB2 SER 57 HB2 SER 57 -12.418 -10.155 -1.605 465 HB3 SER 57 HB3 SER 57 -13.573 -8.978 -2.269 466 HG SER 57 HG SER 57 -13.268 -10.291 -4.294 467 H ASP 58 H ASP 58 -12.248 -6.456 -3.763 468 HA ASP 58 HA ASP 58 -13.490 -6.985 -6.375 469 HB2 ASP 58 HB2 ASP 58 -14.467 -5.230 -5.118 470 HB3 ASP 58 HB3 ASP 58 -12.903 -4.446 -4.860 471 H TYR 59 H TYR 59 -10.366 -5.692 -5.311 472 HA TYR 59 HA TYR 59 -9.289 -5.558 -7.984 473 HB2 TYR 59 HB2 TYR 59 -8.112 -5.312 -5.248 474 HB3 TYR 59 HB3 TYR 59 -7.064 -5.530 -6.633 475 HD1 TYR 59 HD2 TYR 59 -7.215 -3.942 -8.605 476 HD2 TYR 59 HD1 TYR 59 -8.899 -3.111 -4.729 477 HE1 TYR 59 HE2 TYR 59 -6.969 -1.500 -9.029 478 HE2 TYR 59 HE1 TYR 59 -8.602 -0.655 -5.140 479 HH TYR 59 HH TYR 59 -7.031 0.548 -8.086 480 H ASN 60 H ASN 60 -10.406 -8.196 -6.708 481 HA ASN 60 HA ASN 60 -10.092 -10.386 -6.754 482 HB2 ASN 60 HB2 ASN 60 -8.240 -9.854 -9.105 483 HB3 ASN 60 HB3 ASN 60 -8.859 -11.428 -8.639 484 HD21 ASN 60 1HD2 ASN 60 -9.920 -8.216 -9.755 485 HD22 ASN 60 2HD2 ASN 60 -11.394 -8.815 -10.476 486 H ILE 61 H ILE 61 -8.333 -8.798 -4.963 487 HA ILE 61 HA ILE 61 -5.834 -10.295 -4.774 488 HB ILE 61 HB ILE 61 -7.015 -8.369 -2.748 489 HG12 ILE 61 2HG1 ILE 61 -5.229 -7.821 -5.155 490 HG13 ILE 61 3HG1 ILE 61 -6.867 -7.255 -4.919 491 HG21 ILE 61 1HG2 ILE 61 -4.685 -8.179 -1.976 492 HG22 ILE 61 2HG2 ILE 61 -5.178 -9.867 -1.942 493 HG23 ILE 61 3HG2 ILE 61 -4.148 -9.273 -3.268 494 HD11 ILE 61 3HD1 ILE 61 -5.359 -5.442 -4.525 495 HD12 ILE 61 1HD1 ILE 61 -6.141 -5.876 -2.998 496 HD13 ILE 61 2HD1 ILE 61 -4.452 -6.359 -3.318 497 H GLN 62 H GLN 62 -6.360 -12.385 -4.576 498 HA GLN 62 HA GLN 62 -8.205 -13.523 -2.680 499 HB2 GLN 62 HB2 GLN 62 -5.856 -14.800 -4.153 500 HB3 GLN 62 HB3 GLN 62 -7.156 -15.664 -3.328 501 HG2 GLN 62 HG2 GLN 62 -8.812 -14.623 -4.910 502 HG3 GLN 62 HG3 GLN 62 -7.462 -13.881 -5.777 503 HE21 GLN 62 1HE2 GLN 62 -8.186 -15.058 -7.714 504 HE22 GLN 62 2HE2 GLN 62 -7.783 -16.770 -7.832 505 H LYS 63 H LYS 63 -7.439 -15.264 -1.105 506 HA LYS 63 HA LYS 63 -5.656 -14.231 0.919 507 HB2 LYS 63 HB2 LYS 63 -5.981 -16.410 2.007 508 HB3 LYS 63 HB3 LYS 63 -7.512 -15.733 1.490 509 HG2 LYS 63 HG2 LYS 63 -7.801 -17.218 -0.310 510 HG3 LYS 63 HG3 LYS 63 -6.104 -17.690 -0.336 511 HD2 LYS 63 HD2 LYS 63 -6.413 -18.747 1.934 512 HD3 LYS 63 HD3 LYS 63 -8.160 -18.419 1.801 513 HE2 LYS 63 HE2 LYS 63 -8.304 -19.778 -0.220 514 HE3 LYS 63 HE3 LYS 63 -6.528 -19.925 -0.302 515 HZ1 LYS 63 HZ1 LYS 63 -6.528 -21.259 1.637 516 HZ2 LYS 63 HZ2 LYS 63 -7.738 -21.905 0.716 517 HZ3 LYS 63 HZ3 LYS 63 -8.094 -20.962 2.008 518 H GLU 64 H GLU 64 -3.668 -15.001 1.600 519 HA GLU 64 HA GLU 64 -1.476 -15.226 1.296 520 HB2 GLU 64 HB2 GLU 64 -2.195 -17.538 -0.544 521 HB3 GLU 64 HB3 GLU 64 -0.592 -17.141 0.029 522 HG2 GLU 64 HG2 GLU 64 -1.026 -18.636 1.610 523 HG3 GLU 64 HG3 GLU 64 -1.668 -17.222 2.443 524 H SER 65 H SER 65 -3.126 -13.616 -0.936 525 HA SER 65 HA SER 65 -1.486 -13.417 -3.192 526 HB2 SER 65 HB2 SER 65 -3.111 -11.275 -1.792 527 HB3 SER 65 HB3 SER 65 -2.232 -10.986 -3.301 528 HG SER 65 HG SER 65 -4.398 -12.651 -2.789 529 H THR 66 H THR 66 0.454 -12.678 -3.656 530 HA THR 66 HA THR 66 1.875 -10.868 -1.773 531 HB THR 66 HB THR 66 3.071 -12.303 -4.137 532 HG1 THR 66 HG1 THR 66 2.278 -13.610 -2.321 533 HG21 THR 66 1HG2 THR 66 5.207 -11.797 -2.995 534 HG22 THR 66 2HG2 THR 66 4.330 -10.867 -1.760 535 HG23 THR 66 3HG2 THR 66 4.358 -10.313 -3.450 536 H LEU 67 H LEU 67 1.535 -8.860 -2.033 537 HA LEU 67 HA LEU 67 1.079 -7.545 -4.644 538 HB2 LEU 67 HB2 LEU 67 1.360 -6.497 -1.775 539 HB3 LEU 67 HB3 LEU 67 1.013 -5.529 -3.202 540 HG LEU 67 HG LEU 67 -1.074 -7.124 -3.479 541 HD11 LEU 67 1HD1 LEU 67 -2.088 -7.770 -1.306 542 HD12 LEU 67 2HD1 LEU 67 -0.551 -7.407 -0.488 543 HD13 LEU 67 3HD1 LEU 67 -0.658 -8.730 -1.662 544 HD21 LEU 67 3HD2 LEU 67 -2.387 -5.547 -2.150 545 HD22 LEU 67 1HD2 LEU 67 -1.064 -4.683 -2.955 546 HD23 LEU 67 2HD2 LEU 67 -0.940 -5.075 -1.226 547 H HIS 68 H HIS 68 2.639 -6.066 -5.527 548 HA HIS 68 HA HIS 68 5.456 -6.137 -4.520 549 HB2 HIS 68 HB2 HIS 68 4.268 -5.243 -7.145 550 HB3 HIS 68 HB3 HIS 68 5.751 -4.611 -6.579 551 HD1 HIS 68 HD1 HIS 68 4.613 -8.158 -7.737 552 HD2 HIS 68 HD2 HIS 68 7.974 -5.808 -6.778 553 HE1 HIS 68 HE1 HIS 68 6.650 -9.505 -8.388 554 H LEU 69 H LEU 69 6.533 -4.387 -4.379 555 HA LEU 69 HA LEU 69 4.868 -1.994 -3.890 556 HB2 LEU 69 HB2 LEU 69 5.920 -2.972 -1.852 557 HB3 LEU 69 HB3 LEU 69 7.483 -2.762 -2.612 558 HG LEU 69 HG LEU 69 7.296 -0.349 -2.448 559 HD11 LEU 69 1HD1 LEU 69 4.969 0.094 -2.684 560 HD12 LEU 69 2HD1 LEU 69 5.281 0.461 -0.975 561 HD13 LEU 69 3HD1 LEU 69 4.538 -1.077 -1.410 562 HD21 LEU 69 3HD2 LEU 69 8.250 -1.603 -0.581 563 HD22 LEU 69 1HD2 LEU 69 6.612 -1.767 0.143 564 HD23 LEU 69 2HD2 LEU 69 7.373 -0.152 -0.012 565 H VAL 70 H VAL 70 5.665 -0.017 -4.592 566 HA VAL 70 HA VAL 70 8.508 -0.067 -5.504 567 HB VAL 70 HB VAL 70 7.741 2.291 -6.691 568 HG11 VAL 70 1HG1 VAL 70 9.117 0.595 -7.605 569 HG12 VAL 70 2HG1 VAL 70 7.676 -0.397 -7.929 570 HG13 VAL 70 3HG1 VAL 70 7.882 1.161 -8.739 571 HG21 VAL 70 3HG2 VAL 70 5.359 2.091 -6.242 572 HG22 VAL 70 1HG2 VAL 70 5.764 2.118 -7.960 573 HG23 VAL 70 2HG2 VAL 70 5.327 0.582 -7.191 574 H LEU 71 H LEU 71 9.534 1.943 -5.401 575 HA LEU 71 HA LEU 71 8.928 3.675 -3.192 576 HB2 LEU 71 HB2 LEU 71 10.676 4.076 -5.611 577 HB3 LEU 71 HB3 LEU 71 10.590 5.212 -4.272 578 HG LEU 71 HG LEU 71 11.478 2.324 -3.918 579 HD11 LEU 71 1HD1 LEU 71 13.118 4.865 -4.225 580 HD12 LEU 71 2HD1 LEU 71 13.049 3.512 -5.369 581 HD13 LEU 71 3HD1 LEU 71 13.747 3.276 -3.767 582 HD21 LEU 71 3HD2 LEU 71 11.663 4.792 -2.132 583 HD22 LEU 71 1HD2 LEU 71 12.398 3.219 -1.788 584 HD23 LEU 71 2HD2 LEU 71 10.639 3.376 -1.842 585 H ARG 72 H ARG 72 8.745 5.843 -3.329 586 HA ARG 72 HA ARG 72 6.883 7.027 -5.266 587 HB2 ARG 72 HB2 ARG 72 6.782 7.427 -2.828 588 HB3 ARG 72 HB3 ARG 72 8.374 8.173 -2.871 589 HG2 ARG 72 HG2 ARG 72 7.457 10.087 -4.121 590 HG3 ARG 72 HG3 ARG 72 5.876 9.262 -4.250 591 HD2 ARG 72 HD2 ARG 72 5.794 9.138 -1.731 592 HD3 ARG 72 HD3 ARG 72 7.308 10.049 -1.678 593 HE ARG 72 HE ARG 72 4.757 11.196 -2.786 594 HH11 ARG 72 1HH1 ARG 72 7.294 11.481 -0.316 595 HH12 ARG 72 2HH1 ARG 72 6.742 13.112 0.055 596 HH21 ARG 72 1HH2 ARG 72 4.033 13.189 -1.848 597 HH22 ARG 72 2HH2 ARG 72 5.096 13.921 -0.696 598 H LEU 73 H LEU 73 7.434 8.949 -6.466 599 HA LEU 73 HA LEU 73 9.945 8.613 -7.896 600 HB2 LEU 73 HB2 LEU 73 7.332 10.035 -8.310 601 HB3 LEU 73 HB3 LEU 73 8.698 10.731 -9.128 602 HG LEU 73 HG LEU 73 7.455 9.211 -10.558 603 HD11 LEU 73 1HD1 LEU 73 9.880 9.565 -10.945 604 HD12 LEU 73 2HD1 LEU 73 9.309 7.987 -11.497 605 HD13 LEU 73 3HD1 LEU 73 10.238 8.097 -9.991 606 HD21 LEU 73 3HD2 LEU 73 8.385 6.931 -8.758 607 HD22 LEU 73 1HD2 LEU 73 7.473 6.804 -10.275 608 HD23 LEU 73 2HD2 LEU 73 6.720 7.556 -8.860 609 H ARG 74 H ARG 74 10.872 10.747 -8.834 610 HA ARG 74 HA ARG 74 11.922 12.442 -6.610 611 HB2 ARG 74 HB2 ARG 74 14.191 12.045 -7.464 612 HB3 ARG 74 HB3 ARG 74 13.417 10.514 -7.038 613 HG2 ARG 74 HG2 ARG 74 12.792 10.359 -9.581 614 HG3 ARG 74 HG3 ARG 74 13.970 11.652 -9.808 615 HD2 ARG 74 HD2 ARG 74 15.750 10.229 -8.933 616 HD3 ARG 74 HD3 ARG 74 14.587 8.950 -8.547 617 HE ARG 74 HE ARG 74 15.302 9.917 -11.317 618 HH11 ARG 74 1HH1 ARG 74 14.010 7.193 -9.437 619 HH12 ARG 74 2HH1 ARG 74 13.758 6.301 -10.936 620 HH21 ARG 74 1HH2 ARG 74 14.889 8.713 -12.994 621 HH22 ARG 74 2HH2 ARG 74 14.203 7.081 -12.812 622 H GLY 75 H GLY 75 12.267 14.634 -7.155 623 HA2 GLY 75 HA2 GLY 75 13.033 15.771 -9.494 624 HA3 GLY 75 HA3 GLY 75 11.326 15.490 -9.803 625 H GLY 76 H GLY 76 10.746 17.491 -10.026 626 HA2 GLY 76 HA2 GLY 76 9.820 19.271 -8.162 627 HA3 GLY 76 HA3 GLY 76 11.463 19.811 -8.527 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -7.563 -12.288 7.097 2 H2 MET 1 H2 MET 1 -9.091 -12.505 6.488 3 H3 MET 1 H3 MET 1 -8.406 -11.011 6.563 4 HA MET 1 HA MET 1 -7.603 -13.220 4.785 5 HB2 MET 1 HB2 MET 1 -8.604 -10.398 4.184 6 HB3 MET 1 HB3 MET 1 -7.905 -11.495 2.999 7 HG2 MET 1 HG2 MET 1 -10.415 -12.032 4.605 8 HG3 MET 1 HG3 MET 1 -10.346 -11.487 2.933 9 HE1 MET 1 HE1 MET 1 -12.019 -14.006 3.913 10 HE2 MET 1 HE2 MET 1 -11.965 -13.423 2.232 11 HE3 MET 1 HE3 MET 1 -11.680 -15.140 2.588 12 H GLN 2 H GLN 2 -5.457 -13.514 5.130 13 HA GLN 2 HA GLN 2 -3.730 -11.298 5.693 14 HB2 GLN 2 HB2 GLN 2 -3.448 -13.561 6.558 15 HB3 GLN 2 HB3 GLN 2 -3.117 -14.181 4.936 16 HG2 GLN 2 HG2 GLN 2 -1.008 -13.175 4.832 17 HG3 GLN 2 HG3 GLN 2 -1.422 -11.915 6.000 18 HE21 GLN 2 1HE2 GLN 2 -1.751 -12.592 8.308 19 HE22 GLN 2 2HE2 GLN 2 -0.865 -14.020 8.858 20 H ILE 3 H ILE 3 -2.483 -10.092 4.401 21 HA ILE 3 HA ILE 3 -2.085 -10.786 1.540 22 HB ILE 3 HB ILE 3 -2.602 -8.590 0.763 23 HG12 ILE 3 2HG1 ILE 3 -3.434 -7.813 3.589 24 HG13 ILE 3 3HG1 ILE 3 -1.971 -7.273 2.759 25 HG21 ILE 3 1HG2 ILE 3 -4.988 -9.496 2.417 26 HG22 ILE 3 2HG2 ILE 3 -5.007 -8.623 0.872 27 HG23 ILE 3 3HG2 ILE 3 -4.441 -10.293 0.926 28 HD11 ILE 3 3HD1 ILE 3 -3.351 -6.166 1.017 29 HD12 ILE 3 1HD1 ILE 3 -4.813 -6.587 1.944 30 HD13 ILE 3 2HD1 ILE 3 -3.594 -5.518 2.651 31 H PHE 4 H PHE 4 -0.276 -9.721 0.567 32 HA PHE 4 HA PHE 4 1.802 -9.001 2.575 33 HB2 PHE 4 HB2 PHE 4 2.059 -10.703 0.088 34 HB3 PHE 4 HB3 PHE 4 3.379 -10.235 1.147 35 HD1 PHE 4 HD1 PHE 4 3.159 -10.888 3.703 36 HD2 PHE 4 HD2 PHE 4 0.890 -12.708 0.513 37 HE1 PHE 4 HE1 PHE 4 2.711 -12.862 5.140 38 HE2 PHE 4 HE2 PHE 4 0.441 -14.670 1.964 39 HZ PHE 4 HZ PHE 4 1.313 -14.741 4.275 40 H VAL 5 H VAL 5 3.267 -7.412 2.156 41 HA VAL 5 HA VAL 5 3.098 -6.073 -0.497 42 HB VAL 5 HB VAL 5 4.125 -4.637 1.927 43 HG11 VAL 5 1HG1 VAL 5 4.841 -3.694 -0.188 44 HG12 VAL 5 2HG1 VAL 5 3.189 -3.768 -0.832 45 HG13 VAL 5 3HG1 VAL 5 3.589 -2.658 0.498 46 HG21 VAL 5 3HG2 VAL 5 1.922 -3.472 1.988 47 HG22 VAL 5 1HG2 VAL 5 1.286 -4.675 0.840 48 HG23 VAL 5 2HG2 VAL 5 1.815 -5.166 2.464 49 H LYS 6 H LYS 6 4.764 -5.946 -1.765 50 HA LYS 6 HA LYS 6 7.374 -7.170 -0.987 51 HB2 LYS 6 HB2 LYS 6 6.349 -8.226 -2.855 52 HB3 LYS 6 HB3 LYS 6 5.765 -6.732 -3.506 53 HG2 LYS 6 HG2 LYS 6 7.341 -7.423 -4.999 54 HG3 LYS 6 HG3 LYS 6 8.089 -6.064 -4.162 55 HD2 LYS 6 HD2 LYS 6 9.531 -7.647 -2.912 56 HD3 LYS 6 HD3 LYS 6 8.482 -9.003 -3.348 57 HE2 LYS 6 HE2 LYS 6 9.160 -8.240 -5.843 58 HE3 LYS 6 HE3 LYS 6 10.592 -7.640 -4.993 59 HZ1 LYS 6 HZ1 LYS 6 9.560 -10.432 -5.054 60 HZ2 LYS 6 HZ2 LYS 6 10.785 -9.966 -4.062 61 HZ3 LYS 6 HZ3 LYS 6 10.971 -9.938 -5.680 62 H THR 7 H THR 7 8.627 -5.601 -0.041 63 HA THR 7 HA THR 7 8.593 -2.898 -1.145 64 HB THR 7 HB THR 7 9.762 -2.087 0.597 65 HG1 THR 7 HG1 THR 7 11.013 -3.365 1.986 66 HG21 THR 7 1HG2 THR 7 8.860 -2.904 2.659 67 HG22 THR 7 2HG2 THR 7 8.528 -4.505 1.966 68 HG23 THR 7 3HG2 THR 7 7.608 -3.084 1.420 69 H LEU 8 H LEU 8 10.430 -1.697 -1.772 70 HA LEU 8 HA LEU 8 12.012 -2.915 -3.802 71 HB2 LEU 8 HB2 LEU 8 11.399 -0.304 -3.008 72 HB3 LEU 8 HB3 LEU 8 13.087 -0.437 -2.544 73 HG LEU 8 HG LEU 8 13.540 -1.265 -4.945 74 HD11 LEU 8 1HD1 LEU 8 10.724 -0.138 -5.364 75 HD12 LEU 8 2HD1 LEU 8 11.192 -1.837 -5.567 76 HD13 LEU 8 3HD1 LEU 8 11.860 -0.611 -6.645 77 HD21 LEU 8 3HD2 LEU 8 13.475 1.032 -5.867 78 HD22 LEU 8 1HD2 LEU 8 14.081 1.015 -4.206 79 HD23 LEU 8 2HD2 LEU 8 12.414 1.544 -4.532 80 H THR 9 H THR 9 12.778 -2.134 -0.411 81 HA THR 9 HA THR 9 15.407 -3.155 -0.404 82 HB THR 9 HB THR 9 13.963 -3.146 2.180 83 HG1 THR 9 HG1 THR 9 14.253 -0.788 2.115 84 HG21 THR 9 1HG2 THR 9 16.514 -1.783 1.215 85 HG22 THR 9 2HG2 THR 9 16.441 -3.347 2.047 86 HG23 THR 9 3HG2 THR 9 15.941 -1.877 2.896 87 H GLY 10 H GLY 10 13.221 -5.097 -1.332 88 HA2 GLY 10 HA2 GLY 10 13.130 -7.374 -1.500 89 HA3 GLY 10 HA3 GLY 10 14.617 -7.459 -0.553 90 H LYS 11 H LYS 11 11.889 -5.932 1.027 91 HA LYS 11 HA LYS 11 11.693 -8.339 2.796 92 HB2 LYS 11 HB2 LYS 11 10.760 -5.536 3.509 93 HB3 LYS 11 HB3 LYS 11 10.962 -6.941 4.557 94 HG2 LYS 11 HG2 LYS 11 13.502 -6.776 3.677 95 HG3 LYS 11 HG3 LYS 11 13.033 -5.109 3.388 96 HD2 LYS 11 HD2 LYS 11 13.785 -4.843 5.543 97 HD3 LYS 11 HD3 LYS 11 12.124 -5.309 5.925 98 HE2 LYS 11 HE2 LYS 11 13.469 -6.671 7.329 99 HE3 LYS 11 HE3 LYS 11 12.982 -7.745 6.016 100 HZ1 LYS 11 HZ1 LYS 11 15.333 -8.027 6.321 101 HZ2 LYS 11 HZ2 LYS 11 15.608 -6.423 6.349 102 HZ3 LYS 11 HZ3 LYS 11 15.205 -7.118 4.950 103 H THR 12 H THR 12 9.836 -9.267 3.341 104 HA THR 12 HA THR 12 7.361 -8.543 1.917 105 HB THR 12 HB THR 12 7.633 -11.006 3.605 106 HG1 THR 12 HG1 THR 12 8.232 -12.075 1.720 107 HG21 THR 12 1HG2 THR 12 5.956 -11.876 2.040 108 HG22 THR 12 2HG2 THR 12 5.996 -10.354 1.116 109 HG23 THR 12 3HG2 THR 12 5.382 -10.378 2.787 110 H ILE 13 H ILE 13 5.956 -7.213 2.894 111 HA ILE 13 HA ILE 13 5.859 -7.126 5.872 112 HB ILE 13 HB ILE 13 4.219 -5.434 4.011 113 HG12 ILE 13 2HG1 ILE 13 6.473 -5.034 3.226 114 HG13 ILE 13 3HG1 ILE 13 5.867 -3.649 4.095 115 HG21 ILE 13 1HG2 ILE 13 4.261 -3.830 5.910 116 HG22 ILE 13 2HG2 ILE 13 3.492 -5.369 6.304 117 HG23 ILE 13 3HG2 ILE 13 5.138 -5.029 6.879 118 HD11 ILE 13 3HD1 ILE 13 7.856 -5.706 5.175 119 HD12 ILE 13 1HD1 ILE 13 8.213 -4.045 4.682 120 HD13 ILE 13 2HD1 ILE 13 7.218 -4.341 6.111 121 H THR 14 H THR 14 4.322 -8.132 6.967 122 HA THR 14 HA THR 14 2.038 -9.376 5.556 123 HB THR 14 HB THR 14 2.888 -9.990 8.376 124 HG1 THR 14 HG1 THR 14 4.475 -11.011 7.610 125 HG21 THR 14 1HG2 THR 14 1.203 -11.445 6.298 126 HG22 THR 14 2HG2 THR 14 0.670 -10.817 7.868 127 HG23 THR 14 3HG2 THR 14 1.793 -12.185 7.803 128 H LEU 15 H LEU 15 0.089 -8.572 5.577 129 HA LEU 15 HA LEU 15 -0.896 -7.032 7.950 130 HB2 LEU 15 HB2 LEU 15 -1.471 -6.698 4.989 131 HB3 LEU 15 HB3 LEU 15 -2.450 -5.939 6.237 132 HG LEU 15 HG LEU 15 0.545 -5.447 6.017 133 HD11 LEU 15 1HD1 LEU 15 -0.524 -4.785 3.896 134 HD12 LEU 15 2HD1 LEU 15 -0.003 -3.367 4.820 135 HD13 LEU 15 3HD1 LEU 15 -1.723 -3.821 4.788 136 HD21 LEU 15 3HD2 LEU 15 -0.493 -4.810 8.170 137 HD22 LEU 15 1HD2 LEU 15 -1.706 -3.836 7.305 138 HD23 LEU 15 2HD2 LEU 15 0.011 -3.383 7.255 139 H GLU 16 H GLU 16 -3.074 -7.310 8.505 140 HA GLU 16 HA GLU 16 -4.579 -9.570 7.318 141 HB2 GLU 16 HB2 GLU 16 -3.731 -10.486 9.370 142 HB3 GLU 16 HB3 GLU 16 -4.095 -9.013 10.250 143 HG2 GLU 16 HG2 GLU 16 -5.634 -10.663 10.937 144 HG3 GLU 16 HG3 GLU 16 -6.516 -9.432 10.051 145 H VAL 17 H VAL 17 -6.587 -9.061 6.798 146 HA VAL 17 HA VAL 17 -7.904 -6.527 7.669 147 HB VAL 17 HB VAL 17 -8.303 -6.056 5.185 148 HG11 VAL 17 1HG1 VAL 17 -6.790 -4.665 6.511 149 HG12 VAL 17 2HG1 VAL 17 -5.439 -5.777 6.177 150 HG13 VAL 17 3HG1 VAL 17 -6.183 -4.867 4.856 151 HG21 VAL 17 3HG2 VAL 17 -7.520 -8.207 4.231 152 HG22 VAL 17 1HG2 VAL 17 -6.666 -6.817 3.550 153 HG23 VAL 17 2HG2 VAL 17 -5.861 -7.825 4.753 154 H GLU 18 H GLU 18 -10.175 -6.496 7.027 155 HA GLU 18 HA GLU 18 -11.337 -9.224 6.672 156 HB2 GLU 18 HB2 GLU 18 -12.691 -6.551 7.194 157 HB3 GLU 18 HB3 GLU 18 -13.519 -8.065 6.830 158 HG2 GLU 18 HG2 GLU 18 -12.091 -9.036 8.824 159 HG3 GLU 18 HG3 GLU 18 -11.913 -7.346 9.293 160 HA PRO 19 HA PRO 19 -11.609 -8.678 2.247 161 HB2 PRO 19 HB2 PRO 19 -13.902 -10.024 1.557 162 HB3 PRO 19 HB3 PRO 19 -12.409 -10.846 2.090 163 HG2 PRO 19 HG2 PRO 19 -14.845 -10.145 3.759 164 HG3 PRO 19 HG3 PRO 19 -13.979 -11.714 3.670 165 HD2 PRO 19 HD2 PRO 19 -13.511 -9.935 5.663 166 HD3 PRO 19 HD3 PRO 19 -12.181 -10.897 4.968 167 H SER 20 H SER 20 -14.001 -7.418 4.356 168 HA SER 20 HA SER 20 -15.378 -5.705 2.441 169 HB2 SER 20 HB2 SER 20 -16.429 -4.895 4.624 170 HB3 SER 20 HB3 SER 20 -16.699 -6.592 4.209 171 HG SER 20 HG SER 20 -16.045 -6.466 6.387 172 H ASP 21 H ASP 21 -12.331 -5.488 4.120 173 HA ASP 21 HA ASP 21 -12.423 -2.790 4.857 174 HB2 ASP 21 HB2 ASP 21 -10.123 -4.645 4.371 175 HB3 ASP 21 HB3 ASP 21 -9.841 -2.932 4.564 176 H THR 22 H THR 22 -12.054 -0.902 4.112 177 HA THR 22 HA THR 22 -12.152 -0.535 1.243 178 HB THR 22 HB THR 22 -12.836 1.580 1.479 179 HG1 THR 22 HG1 THR 22 -12.425 2.755 3.481 180 HG21 THR 22 1HG2 THR 22 -14.432 1.808 3.271 181 HG22 THR 22 2HG2 THR 22 -13.590 0.596 4.264 182 HG23 THR 22 3HG2 THR 22 -14.422 0.108 2.768 183 H ILE 23 H ILE 23 -10.871 0.800 -0.066 184 HA ILE 23 HA ILE 23 -8.007 0.568 0.435 185 HB ILE 23 HB ILE 23 -9.475 1.977 -1.809 186 HG12 ILE 23 2HG1 ILE 23 -10.139 -0.346 -1.834 187 HG13 ILE 23 3HG1 ILE 23 -9.030 -0.053 -3.135 188 HG21 ILE 23 1HG2 ILE 23 -6.565 1.090 -1.564 189 HG22 ILE 23 2HG2 ILE 23 -7.354 1.519 -3.098 190 HG23 ILE 23 3HG2 ILE 23 -7.180 2.726 -1.861 191 HD11 ILE 23 3HD1 ILE 23 -7.204 -1.157 -1.840 192 HD12 ILE 23 1HD1 ILE 23 -8.369 -1.471 -0.521 193 HD13 ILE 23 2HD1 ILE 23 -8.605 -2.213 -2.115 194 H GLU 24 H GLU 24 -10.135 2.675 1.835 195 HA GLU 24 HA GLU 24 -7.957 4.725 2.320 196 HB2 GLU 24 HB2 GLU 24 -10.373 5.490 2.264 197 HB3 GLU 24 HB3 GLU 24 -10.663 4.537 3.678 198 HG2 GLU 24 HG2 GLU 24 -8.717 5.854 4.766 199 HG3 GLU 24 HG3 GLU 24 -8.776 6.890 3.341 200 H ASN 25 H ASN 25 -9.934 2.231 4.046 201 HA ASN 25 HA ASN 25 -8.730 2.400 6.547 202 HB2 ASN 25 HB2 ASN 25 -10.877 1.258 5.865 203 HB3 ASN 25 HB3 ASN 25 -9.933 -0.072 5.197 204 HD21 ASN 25 1HD2 ASN 25 -11.546 0.979 7.964 205 HD22 ASN 25 2HD2 ASN 25 -10.787 -0.189 9.057 206 H VAL 26 H VAL 26 -7.883 -0.021 4.009 207 HA VAL 26 HA VAL 26 -5.692 -1.154 5.457 208 HB VAL 26 HB VAL 26 -5.921 -0.987 2.442 209 HG11 VAL 26 1HG1 VAL 26 -4.716 -3.165 2.498 210 HG12 VAL 26 2HG1 VAL 26 -3.747 -1.870 3.210 211 HG13 VAL 26 3HG1 VAL 26 -4.574 -3.040 4.270 212 HG21 VAL 26 3HG2 VAL 26 -7.249 -2.904 4.408 213 HG22 VAL 26 1HG2 VAL 26 -8.025 -1.910 3.175 214 HG23 VAL 26 2HG2 VAL 26 -7.045 -3.276 2.684 215 H LYS 27 H LYS 27 -5.819 1.654 3.342 216 HA LYS 27 HA LYS 27 -2.931 2.156 3.324 217 HB2 LYS 27 HB2 LYS 27 -5.382 3.379 2.152 218 HB3 LYS 27 HB3 LYS 27 -4.093 4.521 2.536 219 HG2 LYS 27 HG2 LYS 27 -2.526 3.506 1.131 220 HG3 LYS 27 HG3 LYS 27 -3.414 1.991 1.043 221 HD2 LYS 27 HD2 LYS 27 -3.430 3.191 -1.066 222 HD3 LYS 27 HD3 LYS 27 -5.037 2.893 -0.462 223 HE2 LYS 27 HE2 LYS 27 -3.596 5.585 -0.248 224 HE3 LYS 27 HE3 LYS 27 -4.628 5.097 -1.591 225 HZ1 LYS 27 HZ1 LYS 27 -5.498 5.764 1.140 226 HZ2 LYS 27 HZ2 LYS 27 -6.364 4.686 0.251 227 HZ3 LYS 27 HZ3 LYS 27 -6.117 6.199 -0.314 228 H ALA 28 H ALA 28 -5.367 2.746 5.653 229 HA ALA 28 HA ALA 28 -3.639 4.689 7.100 230 HB1 ALA 28 HB1 ALA 28 -5.438 4.694 8.763 231 HB2 ALA 28 HB2 ALA 28 -6.096 4.994 7.143 232 HB3 ALA 28 HB3 ALA 28 -6.290 3.401 7.901 233 H LYS 29 H LYS 29 -4.951 1.370 7.657 234 HA LYS 29 HA LYS 29 -3.516 0.647 9.970 235 HB2 LYS 29 HB2 LYS 29 -4.312 -1.007 7.514 236 HB3 LYS 29 HB3 LYS 29 -3.618 -1.731 8.965 237 HG2 LYS 29 HG2 LYS 29 -5.496 -1.030 10.324 238 HG3 LYS 29 HG3 LYS 29 -6.216 -0.138 8.974 239 HD2 LYS 29 HD2 LYS 29 -6.615 -2.185 7.727 240 HD3 LYS 29 HD3 LYS 29 -5.697 -3.149 8.905 241 HE2 LYS 29 HE2 LYS 29 -7.339 -2.629 10.659 242 HE3 LYS 29 HE3 LYS 29 -8.242 -1.601 9.547 243 HZ1 LYS 29 HZ1 LYS 29 -9.146 -3.877 9.851 244 HZ2 LYS 29 HZ2 LYS 29 -7.855 -4.504 9.075 245 HZ3 LYS 29 HZ3 LYS 29 -8.895 -3.537 8.272 246 H ILE 30 H ILE 30 -2.218 0.598 6.651 247 HA ILE 30 HA ILE 30 0.163 -0.787 7.281 248 HB ILE 30 HB ILE 30 -0.873 -0.315 5.020 249 HG12 ILE 30 2HG1 ILE 30 2.110 0.242 5.253 250 HG13 ILE 30 3HG1 ILE 30 1.372 -1.356 5.417 251 HG21 ILE 30 1HG2 ILE 30 -1.052 2.186 5.338 252 HG22 ILE 30 2HG2 ILE 30 0.703 2.271 5.085 253 HG23 ILE 30 3HG2 ILE 30 -0.359 1.674 3.798 254 HD11 ILE 30 3HD1 ILE 30 0.429 -1.125 3.094 255 HD12 ILE 30 1HD1 ILE 30 1.375 0.376 2.923 256 HD13 ILE 30 2HD1 ILE 30 2.197 -1.171 3.169 257 H GLN 31 H GLN 31 -0.548 2.590 8.077 258 HA GLN 31 HA GLN 31 2.326 3.264 8.263 259 HB2 GLN 31 HB2 GLN 31 -0.213 4.814 8.927 260 HB3 GLN 31 HB3 GLN 31 1.387 5.337 9.437 261 HG2 GLN 31 HG2 GLN 31 1.459 6.458 7.507 262 HG3 GLN 31 HG3 GLN 31 1.944 4.921 6.816 263 HE21 GLN 31 1HE2 GLN 31 0.746 4.402 4.938 264 HE22 GLN 31 2HE2 GLN 31 -0.943 4.920 4.758 265 H ASP 32 H ASP 32 -0.357 2.343 10.394 266 HA ASP 32 HA ASP 32 1.360 2.522 12.741 267 HB2 ASP 32 HB2 ASP 32 -1.515 2.248 12.168 268 HB3 ASP 32 HB3 ASP 32 -1.027 1.270 13.501 269 H LYS 33 H LYS 33 0.277 -0.175 10.739 270 HA LYS 33 HA LYS 33 1.293 -2.192 12.545 271 HB2 LYS 33 HB2 LYS 33 -0.387 -2.217 10.440 272 HB3 LYS 33 HB3 LYS 33 1.045 -2.746 9.583 273 HG2 LYS 33 HG2 LYS 33 0.021 -4.058 12.146 274 HG3 LYS 33 HG3 LYS 33 -0.593 -4.487 10.557 275 HD2 LYS 33 HD2 LYS 33 1.709 -5.168 9.860 276 HD3 LYS 33 HD3 LYS 33 2.270 -4.857 11.520 277 HE2 LYS 33 HE2 LYS 33 0.678 -6.475 12.424 278 HE3 LYS 33 HE3 LYS 33 -0.007 -6.742 10.813 279 HZ1 LYS 33 HZ1 LYS 33 2.756 -7.427 11.656 280 HZ2 LYS 33 HZ2 LYS 33 2.153 -7.585 10.100 281 HZ3 LYS 33 HZ3 LYS 33 1.565 -8.477 11.351 282 H GLU 34 H GLU 34 2.812 -0.437 9.884 283 HA GLU 34 HA GLU 34 5.450 -1.547 10.731 284 HB2 GLU 34 HB2 GLU 34 4.649 -2.849 8.772 285 HB3 GLU 34 HB3 GLU 34 4.457 -1.357 7.867 286 HG2 GLU 34 HG2 GLU 34 6.463 -2.362 7.169 287 HG3 GLU 34 HG3 GLU 34 6.912 -0.914 8.049 288 H GLY 35 H GLY 35 3.964 0.923 8.539 289 HA2 GLY 35 HA2 GLY 35 4.534 3.303 9.173 290 HA3 GLY 35 HA3 GLY 35 6.201 2.792 9.299 291 H ILE 36 H ILE 36 3.766 2.158 6.661 292 HA ILE 36 HA ILE 36 5.680 3.506 4.778 293 HB ILE 36 HB ILE 36 3.522 1.518 4.084 294 HG12 ILE 36 2HG1 ILE 36 6.563 1.237 4.199 295 HG13 ILE 36 3HG1 ILE 36 5.424 0.482 5.311 296 HG21 ILE 36 1HG2 ILE 36 5.700 2.767 2.351 297 HG22 ILE 36 2HG2 ILE 36 4.466 1.598 1.824 298 HG23 ILE 36 3HG2 ILE 36 3.981 3.216 2.288 299 HD11 ILE 36 3HD1 ILE 36 4.468 -0.845 3.438 300 HD12 ILE 36 1HD1 ILE 36 5.725 -0.186 2.361 301 HD13 ILE 36 2HD1 ILE 36 6.180 -1.171 3.754 302 HA PRO 37 HA PRO 37 2.243 6.538 4.869 303 HB2 PRO 37 HB2 PRO 37 3.666 8.850 4.743 304 HB3 PRO 37 HB3 PRO 37 3.549 7.882 6.245 305 HG2 PRO 37 HG2 PRO 37 5.775 7.839 4.174 306 HG3 PRO 37 HG3 PRO 37 5.926 8.027 5.953 307 HD2 PRO 37 HD2 PRO 37 6.217 5.607 4.728 308 HD3 PRO 37 HD3 PRO 37 5.445 5.769 6.334 309 HA PRO 38 HA PRO 38 1.859 7.183 0.497 310 HB2 PRO 38 HB2 PRO 38 0.252 9.408 0.316 311 HB3 PRO 38 HB3 PRO 38 -0.332 7.811 0.874 312 HG2 PRO 38 HG2 PRO 38 0.586 10.155 2.576 313 HG3 PRO 38 HG3 PRO 38 -0.921 9.194 2.739 314 HD2 PRO 38 HD2 PRO 38 1.251 8.648 4.259 315 HD3 PRO 38 HD3 PRO 38 0.256 7.318 3.590 316 H ASP 39 H ASP 39 2.930 9.997 2.424 317 HA ASP 39 HA ASP 39 4.259 11.208 0.138 318 HB2 ASP 39 HB2 ASP 39 3.931 12.166 2.937 319 HB3 ASP 39 HB3 ASP 39 5.054 12.915 1.814 320 H GLN 40 H GLN 40 5.092 8.659 0.450 321 HA GLN 40 HA GLN 40 7.854 9.232 -0.024 322 HB2 GLN 40 HB2 GLN 40 7.936 8.844 2.458 323 HB3 GLN 40 HB3 GLN 40 7.320 7.215 2.200 324 HG2 GLN 40 HG2 GLN 40 9.752 7.255 2.579 325 HG3 GLN 40 HG3 GLN 40 9.383 6.612 0.988 326 HE21 GLN 40 1HE2 GLN 40 9.815 7.960 -0.926 327 HE22 GLN 40 2HE2 GLN 40 10.903 9.344 -0.748 328 H ASN 41 H ASN 41 5.392 6.599 0.236 329 HA ASN 41 HA ASN 41 6.360 5.487 -2.358 330 HB2 ASN 41 HB2 ASN 41 6.068 3.913 0.213 331 HB3 ASN 41 HB3 ASN 41 6.184 3.151 -1.330 332 HD21 ASN 41 1HD2 ASN 41 7.947 4.746 1.260 333 HD22 ASN 41 2HD2 ASN 41 9.504 4.128 0.737 334 H ARG 42 H ARG 42 4.632 3.466 -2.811 335 HA ARG 42 HA ARG 42 1.851 4.023 -2.037 336 HB2 ARG 42 HB2 ARG 42 1.136 4.664 -4.310 337 HB3 ARG 42 HB3 ARG 42 2.291 5.827 -3.663 338 HG2 ARG 42 HG2 ARG 42 4.102 4.477 -4.928 339 HG3 ARG 42 HG3 ARG 42 2.774 3.683 -5.779 340 HD2 ARG 42 HD2 ARG 42 2.108 5.757 -6.794 341 HD3 ARG 42 HD3 ARG 42 3.121 6.702 -5.696 342 HE ARG 42 HE ARG 42 5.100 5.502 -6.658 343 HH11 ARG 42 1HH1 ARG 42 2.294 5.691 -8.816 344 HH12 ARG 42 2HH1 ARG 42 3.324 5.576 -10.226 345 HH21 ARG 42 1HH2 ARG 42 6.232 5.196 -8.382 346 HH22 ARG 42 2HH2 ARG 42 5.491 5.110 -9.969 347 H LEU 43 H LEU 43 0.458 2.336 -2.666 348 HA LEU 43 HA LEU 43 1.823 -0.217 -3.097 349 HB2 LEU 43 HB2 LEU 43 -0.909 0.716 -2.225 350 HB3 LEU 43 HB3 LEU 43 -0.794 -0.884 -2.915 351 HG LEU 43 HG LEU 43 -0.694 -0.865 -0.453 352 HD11 LEU 43 1HD1 LEU 43 1.860 -1.929 -1.727 353 HD12 LEU 43 2HD1 LEU 43 0.270 -2.710 -1.801 354 HD13 LEU 43 3HD1 LEU 43 1.068 -2.492 -0.239 355 HD21 LEU 43 3HD2 LEU 43 0.623 1.175 -0.054 356 HD22 LEU 43 1HD2 LEU 43 2.055 0.409 -0.782 357 HD23 LEU 43 2HD2 LEU 43 1.369 -0.243 0.704 358 H ILE 44 H ILE 44 2.091 -1.282 -4.902 359 HA ILE 44 HA ILE 44 0.159 -0.785 -7.177 360 HB ILE 44 HB ILE 44 2.888 -2.080 -7.305 361 HG12 ILE 44 2HG1 ILE 44 3.263 0.226 -6.787 362 HG13 ILE 44 3HG1 ILE 44 3.639 -0.060 -8.476 363 HG21 ILE 44 1HG2 ILE 44 2.619 -1.714 -9.777 364 HG22 ILE 44 2HG2 ILE 44 1.496 -2.896 -9.113 365 HG23 ILE 44 3HG2 ILE 44 0.927 -1.251 -9.491 366 HD11 ILE 44 3HD1 ILE 44 1.137 1.323 -7.443 367 HD12 ILE 44 1HD1 ILE 44 2.533 2.091 -8.204 368 HD13 ILE 44 2HD1 ILE 44 1.499 1.011 -9.157 369 H PHE 45 H PHE 45 -1.123 -2.324 -7.985 370 HA PHE 45 HA PHE 45 -0.502 -5.151 -7.436 371 HB2 PHE 45 HB2 PHE 45 -1.917 -4.902 -5.665 372 HB3 PHE 45 HB3 PHE 45 -3.023 -3.871 -6.551 373 HD1 PHE 45 HD1 PHE 45 -2.029 -7.387 -5.949 374 HD2 PHE 45 HD2 PHE 45 -4.758 -4.762 -8.018 375 HE1 PHE 45 HE1 PHE 45 -3.530 -9.307 -6.420 376 HE2 PHE 45 HE2 PHE 45 -6.268 -6.684 -8.449 377 HZ PHE 45 HZ PHE 45 -5.666 -8.954 -7.649 378 H ALA 46 H ALA 46 -0.556 -6.468 -9.121 379 HA ALA 46 HA ALA 46 -0.540 -6.984 -11.337 380 HB1 ALA 46 HB1 ALA 46 -3.451 -6.138 -11.139 381 HB2 ALA 46 HB2 ALA 46 -2.746 -7.251 -12.325 382 HB3 ALA 46 HB3 ALA 46 -2.784 -7.698 -10.610 383 H GLY 47 H GLY 47 0.593 -4.468 -10.989 384 HA2 GLY 47 HA2 GLY 47 1.440 -2.747 -12.283 385 HA3 GLY 47 HA3 GLY 47 0.409 -3.260 -13.623 386 H LYS 48 H LYS 48 -1.825 -2.932 -11.322 387 HA LYS 48 HA LYS 48 -2.637 -0.221 -12.139 388 HB2 LYS 48 HB2 LYS 48 -4.006 -2.465 -12.045 389 HB3 LYS 48 HB3 LYS 48 -4.110 -2.161 -10.309 390 HG2 LYS 48 HG2 LYS 48 -5.214 0.022 -10.794 391 HG3 LYS 48 HG3 LYS 48 -5.135 -0.322 -12.522 392 HD2 LYS 48 HD2 LYS 48 -6.555 -2.064 -10.454 393 HD3 LYS 48 HD3 LYS 48 -7.354 -0.849 -11.460 394 HE2 LYS 48 HE2 LYS 48 -6.810 -2.042 -13.496 395 HE3 LYS 48 HE3 LYS 48 -5.833 -3.225 -12.615 396 HZ1 LYS 48 HZ1 LYS 48 -8.163 -3.953 -13.156 397 HZ2 LYS 48 HZ2 LYS 48 -8.723 -2.870 -12.054 398 HZ3 LYS 48 HZ3 LYS 48 -7.775 -4.105 -11.577 399 H GLN 49 H GLN 49 -2.902 1.490 -10.694 400 HA GLN 49 HA GLN 49 -1.690 1.331 -7.964 401 HB2 GLN 49 HB2 GLN 49 -2.942 3.662 -9.519 402 HB3 GLN 49 HB3 GLN 49 -2.279 3.748 -7.874 403 HG2 GLN 49 HG2 GLN 49 -0.086 2.899 -8.798 404 HG3 GLN 49 HG3 GLN 49 -0.724 3.129 -10.412 405 HE21 GLN 49 1HE2 GLN 49 -1.761 5.520 -10.640 406 HE22 GLN 49 2HE2 GLN 49 -0.838 6.800 -9.829 407 H LEU 50 H LEU 50 -3.088 2.043 -6.127 408 HA LEU 50 HA LEU 50 -5.928 1.095 -6.421 409 HB2 LEU 50 HB2 LEU 50 -4.056 0.701 -4.049 410 HB3 LEU 50 HB3 LEU 50 -5.730 0.198 -4.137 411 HG LEU 50 HG LEU 50 -3.477 -0.867 -5.878 412 HD11 LEU 50 1HD1 LEU 50 -3.827 -2.932 -4.562 413 HD12 LEU 50 2HD1 LEU 50 -5.019 -2.088 -3.553 414 HD13 LEU 50 3HD1 LEU 50 -3.314 -1.576 -3.544 415 HD21 LEU 50 3HD2 LEU 50 -6.399 -1.735 -5.664 416 HD22 LEU 50 1HD2 LEU 50 -5.126 -2.608 -6.546 417 HD23 LEU 50 2HD2 LEU 50 -5.627 -1.008 -7.091 418 H GLU 51 H GLU 51 -7.241 2.803 -6.161 419 HA GLU 51 HA GLU 51 -6.478 5.060 -4.453 420 HB2 GLU 51 HB2 GLU 51 -6.835 5.344 -6.958 421 HB3 GLU 51 HB3 GLU 51 -8.567 4.902 -6.663 422 HG2 GLU 51 HG2 GLU 51 -8.751 6.938 -5.166 423 HG3 GLU 51 HG3 GLU 51 -7.064 7.295 -5.510 424 H ASP 52 H ASP 52 -7.800 5.962 -2.895 425 HA ASP 52 HA ASP 52 -9.574 4.223 -1.583 426 HB2 ASP 52 HB2 ASP 52 -10.248 6.474 -0.347 427 HB3 ASP 52 HB3 ASP 52 -8.846 5.495 -0.005 428 H GLY 53 H GLY 53 -11.760 4.785 -0.830 429 HA2 GLY 53 HA2 GLY 53 -14.026 5.068 -1.323 430 HA3 GLY 53 HA3 GLY 53 -13.627 5.529 -2.978 431 H ARG 54 H ARG 54 -11.875 2.884 -2.919 432 HA ARG 54 HA ARG 54 -14.028 1.008 -3.781 433 HB2 ARG 54 HB2 ARG 54 -11.042 0.943 -4.357 434 HB3 ARG 54 HB3 ARG 54 -12.217 -0.245 -4.874 435 HG2 ARG 54 HG2 ARG 54 -12.110 0.975 -6.757 436 HG3 ARG 54 HG3 ARG 54 -13.497 1.750 -5.961 437 HD2 ARG 54 HD2 ARG 54 -11.894 3.553 -5.156 438 HD3 ARG 54 HD3 ARG 54 -10.609 2.739 -6.059 439 HE ARG 54 HE ARG 54 -12.511 3.133 -7.963 440 HH11 ARG 54 1HH1 ARG 54 -11.105 5.506 -5.685 441 HH12 ARG 54 2HH1 ARG 54 -10.820 6.610 -7.023 442 HH21 ARG 54 1HH2 ARG 54 -12.563 4.882 -9.360 443 HH22 ARG 54 2HH2 ARG 54 -11.950 6.418 -8.822 444 H THR 55 H THR 55 -13.309 -1.340 -3.385 445 HA THR 55 HA THR 55 -12.098 -1.761 -0.720 446 HB THR 55 HB THR 55 -13.530 -3.263 0.102 447 HG1 THR 55 HG1 THR 55 -15.148 -4.257 -1.172 448 HG21 THR 55 1HG2 THR 55 -15.792 -2.464 -0.001 449 HG22 THR 55 2HG2 THR 55 -15.499 -1.633 -1.547 450 HG23 THR 55 3HG2 THR 55 -14.704 -1.069 -0.054 451 H LEU 56 H LEU 56 -11.312 -3.995 -0.286 452 HA LEU 56 HA LEU 56 -9.394 -4.893 -2.196 453 HB2 LEU 56 HB2 LEU 56 -10.814 -6.329 0.068 454 HB3 LEU 56 HB3 LEU 56 -9.368 -6.954 -0.723 455 HG LEU 56 HG LEU 56 -9.450 -4.302 0.800 456 HD11 LEU 56 1HD1 LEU 56 -9.852 -6.266 2.254 457 HD12 LEU 56 2HD1 LEU 56 -8.303 -5.494 2.578 458 HD13 LEU 56 3HD1 LEU 56 -8.358 -7.015 1.646 459 HD21 LEU 56 3HD2 LEU 56 -6.964 -4.557 0.752 460 HD22 LEU 56 1HD2 LEU 56 -7.650 -4.343 -0.857 461 HD23 LEU 56 2HD2 LEU 56 -7.149 -5.964 -0.310 462 H SER 57 H SER 57 -12.575 -6.335 -1.389 463 HA SER 57 HA SER 57 -12.574 -8.371 -3.352 464 HB2 SER 57 HB2 SER 57 -14.082 -8.356 -1.448 465 HB3 SER 57 HB3 SER 57 -14.850 -6.865 -2.010 466 HG SER 57 HG SER 57 -14.902 -9.326 -3.436 467 H ASP 58 H ASP 58 -13.449 -4.961 -3.705 468 HA ASP 58 HA ASP 58 -14.756 -5.264 -6.290 469 HB2 ASP 58 HB2 ASP 58 -15.343 -3.472 -4.765 470 HB3 ASP 58 HB3 ASP 58 -13.699 -2.839 -4.812 471 H TYR 59 H TYR 59 -11.426 -4.477 -5.337 472 HA TYR 59 HA TYR 59 -10.517 -4.365 -8.113 473 HB2 TYR 59 HB2 TYR 59 -9.124 -4.130 -5.478 474 HB3 TYR 59 HB3 TYR 59 -8.206 -4.412 -6.939 475 HD1 TYR 59 HD2 TYR 59 -8.608 -2.744 -8.950 476 HD2 TYR 59 HD1 TYR 59 -9.486 -1.906 -4.820 477 HE1 TYR 59 HE2 TYR 59 -8.297 -0.295 -9.375 478 HE2 TYR 59 HE1 TYR 59 -9.087 0.536 -5.255 479 HH TYR 59 HH TYR 59 -8.438 1.858 -8.471 480 H ASN 60 H ASN 60 -11.513 -6.937 -6.402 481 HA ASN 60 HA ASN 60 -11.198 -9.122 -6.262 482 HB2 ASN 60 HB2 ASN 60 -11.316 -8.732 -8.856 483 HB3 ASN 60 HB3 ASN 60 -9.645 -9.295 -8.839 484 HD21 ASN 60 1HD2 ASN 60 -12.274 -10.534 -9.886 485 HD22 ASN 60 2HD2 ASN 60 -12.336 -12.088 -9.086 486 H ILE 61 H ILE 61 -9.476 -7.662 -4.739 487 HA ILE 61 HA ILE 61 -6.812 -8.918 -4.812 488 HB ILE 61 HB ILE 61 -8.008 -7.022 -2.760 489 HG12 ILE 61 2HG1 ILE 61 -6.266 -6.513 -5.214 490 HG13 ILE 61 3HG1 ILE 61 -7.918 -5.981 -4.974 491 HG21 ILE 61 1HG2 ILE 61 -5.695 -6.720 -2.010 492 HG22 ILE 61 2HG2 ILE 61 -6.084 -8.432 -1.942 493 HG23 ILE 61 3HG2 ILE 61 -5.112 -7.793 -3.293 494 HD11 ILE 61 3HD1 ILE 61 -5.498 -4.961 -3.452 495 HD12 ILE 61 1HD1 ILE 61 -6.444 -4.113 -4.679 496 HD13 ILE 61 2HD1 ILE 61 -7.190 -4.503 -3.121 497 H GLN 62 H GLN 62 -7.109 -11.041 -4.531 498 HA GLN 62 HA GLN 62 -8.799 -12.229 -2.496 499 HB2 GLN 62 HB2 GLN 62 -6.719 -13.375 -4.394 500 HB3 GLN 62 HB3 GLN 62 -7.788 -14.359 -3.391 501 HG2 GLN 62 HG2 GLN 62 -9.757 -13.632 -4.557 502 HG3 GLN 62 HG3 GLN 62 -8.896 -12.331 -5.370 503 HE21 GLN 62 1HE2 GLN 62 -9.628 -13.103 -7.409 504 HE22 GLN 62 2HE2 GLN 62 -8.867 -14.540 -8.118 505 H LYS 63 H LYS 63 -7.938 -14.018 -1.032 506 HA LYS 63 HA LYS 63 -5.943 -13.088 0.801 507 HB2 LYS 63 HB2 LYS 63 -6.349 -14.936 2.054 508 HB3 LYS 63 HB3 LYS 63 -7.860 -14.791 1.196 509 HG2 LYS 63 HG2 LYS 63 -5.676 -16.769 0.354 510 HG3 LYS 63 HG3 LYS 63 -6.885 -17.092 1.552 511 HD2 LYS 63 HD2 LYS 63 -7.859 -18.111 -0.178 512 HD3 LYS 63 HD3 LYS 63 -8.648 -16.548 -0.294 513 HE2 LYS 63 HE2 LYS 63 -7.839 -16.239 -2.387 514 HE3 LYS 63 HE3 LYS 63 -6.177 -16.554 -1.882 515 HZ1 LYS 63 HZ1 LYS 63 -6.950 -18.163 -3.569 516 HZ2 LYS 63 HZ2 LYS 63 -8.183 -18.649 -2.639 517 HZ3 LYS 63 HZ3 LYS 63 -6.632 -18.932 -2.183 518 H GLU 64 H GLU 64 -3.814 -13.755 1.204 519 HA GLU 64 HA GLU 64 -1.665 -13.984 0.596 520 HB2 GLU 64 HB2 GLU 64 -2.721 -16.324 -1.014 521 HB3 GLU 64 HB3 GLU 64 -1.045 -15.832 -1.093 522 HG2 GLU 64 HG2 GLU 64 -1.456 -15.916 1.654 523 HG3 GLU 64 HG3 GLU 64 -2.453 -17.239 1.065 524 H SER 65 H SER 65 -3.601 -12.233 -1.145 525 HA SER 65 HA SER 65 -2.328 -11.832 -3.616 526 HB2 SER 65 HB2 SER 65 -4.358 -10.645 -3.117 527 HB3 SER 65 HB3 SER 65 -3.560 -9.738 -1.802 528 HG SER 65 HG SER 65 -3.628 -8.570 -3.788 529 H THR 66 H THR 66 -0.547 -11.001 -4.301 530 HA THR 66 HA THR 66 1.504 -10.215 -2.352 531 HB THR 66 HB THR 66 2.325 -11.318 -4.986 532 HG1 THR 66 HG1 THR 66 1.029 -12.727 -2.944 533 HG21 THR 66 1HG2 THR 66 3.358 -11.667 -2.140 534 HG22 THR 66 2HG2 THR 66 4.019 -10.549 -3.359 535 HG23 THR 66 3HG2 THR 66 4.105 -12.300 -3.623 536 H LEU 67 H LEU 67 0.624 -8.075 -2.387 537 HA LEU 67 HA LEU 67 0.673 -6.453 -4.766 538 HB2 LEU 67 HB2 LEU 67 0.715 -5.578 -1.840 539 HB3 LEU 67 HB3 LEU 67 0.398 -4.578 -3.248 540 HG LEU 67 HG LEU 67 -1.541 -6.406 -3.670 541 HD11 LEU 67 1HD1 LEU 67 -1.092 -7.769 -1.659 542 HD12 LEU 67 2HD1 LEU 67 -2.653 -6.962 -1.518 543 HD13 LEU 67 3HD1 LEU 67 -1.242 -6.338 -0.632 544 HD21 LEU 67 3HD2 LEU 67 -3.099 -4.849 -2.595 545 HD22 LEU 67 1HD2 LEU 67 -1.823 -3.946 -3.421 546 HD23 LEU 67 2HD2 LEU 67 -1.773 -4.131 -1.654 547 H HIS 68 H HIS 68 2.194 -4.966 -5.476 548 HA HIS 68 HA HIS 68 4.958 -5.085 -4.335 549 HB2 HIS 68 HB2 HIS 68 3.986 -4.127 -7.026 550 HB3 HIS 68 HB3 HIS 68 5.576 -3.860 -6.386 551 HD1 HIS 68 HD1 HIS 68 3.780 -7.343 -6.451 552 HD2 HIS 68 HD2 HIS 68 7.221 -5.279 -7.696 553 HE1 HIS 68 HE1 HIS 68 5.315 -9.067 -7.519 554 H LEU 69 H LEU 69 6.035 -3.432 -3.983 555 HA LEU 69 HA LEU 69 4.396 -1.009 -3.517 556 HB2 LEU 69 HB2 LEU 69 5.838 -2.004 -1.699 557 HB3 LEU 69 HB3 LEU 69 7.218 -1.622 -2.699 558 HG LEU 69 HG LEU 69 6.713 0.813 -2.418 559 HD11 LEU 69 1HD1 LEU 69 4.271 0.623 -2.029 560 HD12 LEU 69 2HD1 LEU 69 5.049 1.420 -0.657 561 HD13 LEU 69 3HD1 LEU 69 4.576 -0.275 -0.542 562 HD21 LEU 69 3HD2 LEU 69 8.287 -0.305 -0.939 563 HD22 LEU 69 1HD2 LEU 69 6.955 -0.813 0.134 564 HD23 LEU 69 2HD2 LEU 69 7.361 0.908 -0.056 565 H VAL 70 H VAL 70 5.019 0.951 -4.349 566 HA VAL 70 HA VAL 70 7.854 0.941 -4.954 567 HB VAL 70 HB VAL 70 6.250 2.889 -6.601 568 HG11 VAL 70 1HG1 VAL 70 8.411 2.674 -8.054 569 HG12 VAL 70 2HG1 VAL 70 8.529 3.651 -6.635 570 HG13 VAL 70 3HG1 VAL 70 9.146 1.967 -6.622 571 HG21 VAL 70 3HG2 VAL 70 7.211 0.231 -7.636 572 HG22 VAL 70 1HG2 VAL 70 5.526 0.736 -7.414 573 HG23 VAL 70 2HG2 VAL 70 6.529 1.563 -8.596 574 H LEU 71 H LEU 71 8.972 2.815 -4.572 575 HA LEU 71 HA LEU 71 8.213 5.008 -3.061 576 HB2 LEU 71 HB2 LEU 71 10.228 4.276 -4.850 577 HB3 LEU 71 HB3 LEU 71 9.637 5.756 -5.471 578 HG LEU 71 HG LEU 71 11.692 5.733 -4.096 579 HD11 LEU 71 1HD1 LEU 71 11.348 7.865 -3.027 580 HD12 LEU 71 2HD1 LEU 71 9.592 7.697 -3.175 581 HD13 LEU 71 3HD1 LEU 71 10.599 7.812 -4.620 582 HD21 LEU 71 3HD2 LEU 71 9.936 5.582 -1.648 583 HD22 LEU 71 1HD2 LEU 71 11.692 5.770 -1.719 584 HD23 LEU 71 2HD2 LEU 71 10.947 4.259 -2.262 585 H ARG 72 H ARG 72 7.806 7.141 -3.633 586 HA ARG 72 HA ARG 72 6.029 7.535 -6.007 587 HB2 ARG 72 HB2 ARG 72 4.844 7.536 -3.866 588 HB3 ARG 72 HB3 ARG 72 5.857 8.838 -3.283 589 HG2 ARG 72 HG2 ARG 72 4.913 10.417 -4.871 590 HG3 ARG 72 HG3 ARG 72 4.051 9.098 -5.734 591 HD2 ARG 72 HD2 ARG 72 2.663 8.609 -3.831 592 HD3 ARG 72 HD3 ARG 72 3.653 9.641 -2.812 593 HE ARG 72 HE ARG 72 1.879 10.699 -4.988 594 HH11 ARG 72 1HH1 ARG 72 2.921 10.784 -1.682 595 HH12 ARG 72 2HH1 ARG 72 2.141 12.258 -1.284 596 HH21 ARG 72 1HH2 ARG 72 0.558 12.481 -4.380 597 HH22 ARG 72 2HH2 ARG 72 0.866 13.216 -2.831 598 H LEU 73 H LEU 73 6.228 9.314 -7.257 599 HA LEU 73 HA LEU 73 8.877 10.534 -7.361 600 HB2 LEU 73 HB2 LEU 73 6.418 10.433 -9.127 601 HB3 LEU 73 HB3 LEU 73 7.567 11.713 -9.392 602 HG LEU 73 HG LEU 73 7.893 9.826 -10.903 603 HD11 LEU 73 1HD1 LEU 73 10.302 9.693 -10.741 604 HD12 LEU 73 2HD1 LEU 73 10.282 10.196 -9.046 605 HD13 LEU 73 3HD1 LEU 73 9.777 11.325 -10.330 606 HD21 LEU 73 3HD2 LEU 73 8.831 8.223 -8.491 607 HD22 LEU 73 1HD2 LEU 73 8.863 7.729 -10.192 608 HD23 LEU 73 2HD2 LEU 73 7.306 7.960 -9.383 609 H ARG 74 H ARG 74 9.432 12.642 -7.159 610 HA ARG 74 HA ARG 74 7.624 14.392 -5.598 611 HB2 ARG 74 HB2 ARG 74 9.972 13.714 -4.917 612 HB3 ARG 74 HB3 ARG 74 10.594 14.758 -6.201 613 HG2 ARG 74 HG2 ARG 74 9.687 16.746 -5.105 614 HG3 ARG 74 HG3 ARG 74 8.728 15.744 -4.005 615 HD2 ARG 74 HD2 ARG 74 10.470 16.340 -2.618 616 HD3 ARG 74 HD3 ARG 74 10.994 14.776 -3.195 617 HE ARG 74 HE ARG 74 12.738 15.759 -4.403 618 HH11 ARG 74 1HH1 ARG 74 10.787 18.299 -2.969 619 HH12 ARG 74 2HH1 ARG 74 12.069 19.470 -3.078 620 HH21 ARG 74 1HH2 ARG 74 14.330 17.348 -4.593 621 HH22 ARG 74 2HH2 ARG 74 13.995 18.941 -4.006 622 H GLY 75 H GLY 75 8.715 14.263 -8.831 623 HA2 GLY 75 HA2 GLY 75 7.680 15.801 -10.507 624 HA3 GLY 75 HA3 GLY 75 8.042 17.128 -9.412 625 H GLY 76 H GLY 76 9.050 17.531 -11.792 626 HA2 GLY 76 HA2 GLY 76 11.777 17.971 -11.576 627 HA3 GLY 76 HA3 GLY 76 11.677 16.374 -12.290 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -7.327 -14.474 7.180 2 H2 MET 1 H2 MET 1 -8.819 -14.457 6.504 3 H3 MET 1 H3 MET 1 -8.144 -13.046 7.033 4 HA MET 1 HA MET 1 -7.191 -14.687 4.764 5 HB2 MET 1 HB2 MET 1 -9.230 -13.471 4.195 6 HB3 MET 1 HB3 MET 1 -8.579 -11.985 4.870 7 HG2 MET 1 HG2 MET 1 -6.743 -12.084 3.098 8 HG3 MET 1 HG3 MET 1 -7.682 -13.398 2.362 9 HE1 MET 1 HE1 MET 1 -8.252 -12.175 0.004 10 HE2 MET 1 HE2 MET 1 -8.487 -10.419 -0.073 11 HE3 MET 1 HE3 MET 1 -6.969 -11.082 0.576 12 H GLN 2 H GLN 2 -5.004 -14.707 4.902 13 HA GLN 2 HA GLN 2 -3.541 -12.245 5.586 14 HB2 GLN 2 HB2 GLN 2 -2.708 -15.040 4.792 15 HB3 GLN 2 HB3 GLN 2 -1.548 -13.719 4.890 16 HG2 GLN 2 HG2 GLN 2 -1.568 -13.640 7.178 17 HG3 GLN 2 HG3 GLN 2 -3.279 -14.018 7.307 18 HE21 GLN 2 1HE2 GLN 2 -0.057 -15.506 6.774 19 HE22 GLN 2 2HE2 GLN 2 -0.619 -17.151 7.024 20 H ILE 3 H ILE 3 -2.186 -11.192 4.156 21 HA ILE 3 HA ILE 3 -2.107 -11.900 1.312 22 HB ILE 3 HB ILE 3 -2.440 -9.630 0.517 23 HG12 ILE 3 2HG1 ILE 3 -3.260 -8.896 3.360 24 HG13 ILE 3 3HG1 ILE 3 -1.804 -8.360 2.510 25 HG21 ILE 3 1HG2 ILE 3 -4.908 -10.472 2.078 26 HG22 ILE 3 2HG2 ILE 3 -4.840 -9.565 0.553 27 HG23 ILE 3 3HG2 ILE 3 -4.344 -11.254 0.584 28 HD11 ILE 3 3HD1 ILE 3 -3.224 -7.186 0.834 29 HD12 ILE 3 1HD1 ILE 3 -4.658 -7.608 1.801 30 HD13 ILE 3 2HD1 ILE 3 -3.401 -6.575 2.490 31 H PHE 4 H PHE 4 -0.225 -10.866 0.269 32 HA PHE 4 HA PHE 4 1.890 -10.246 2.272 33 HB2 PHE 4 HB2 PHE 4 2.079 -11.962 -0.210 34 HB3 PHE 4 HB3 PHE 4 3.437 -11.492 0.802 35 HD1 PHE 4 HD1 PHE 4 3.364 -12.159 3.336 36 HD2 PHE 4 HD2 PHE 4 0.845 -13.913 0.305 37 HE1 PHE 4 HE1 PHE 4 2.938 -14.104 4.813 38 HE2 PHE 4 HE2 PHE 4 0.424 -15.855 1.783 39 HZ PHE 4 HZ PHE 4 1.446 -15.953 4.044 40 H VAL 5 H VAL 5 3.512 -8.753 1.802 41 HA VAL 5 HA VAL 5 3.244 -7.307 -0.808 42 HB VAL 5 HB VAL 5 4.123 -5.886 1.693 43 HG11 VAL 5 1HG1 VAL 5 3.208 -4.888 -1.037 44 HG12 VAL 5 2HG1 VAL 5 3.659 -3.880 0.358 45 HG13 VAL 5 3HG1 VAL 5 4.878 -4.876 -0.422 46 HG21 VAL 5 3HG2 VAL 5 1.343 -5.941 0.457 47 HG22 VAL 5 1HG2 VAL 5 1.799 -6.516 2.076 48 HG23 VAL 5 2HG2 VAL 5 1.895 -4.793 1.700 49 H LYS 6 H LYS 6 4.959 -7.077 -2.064 50 HA LYS 6 HA LYS 6 7.537 -8.202 -1.104 51 HB2 LYS 6 HB2 LYS 6 6.584 -9.298 -3.060 52 HB3 LYS 6 HB3 LYS 6 6.221 -7.770 -3.803 53 HG2 LYS 6 HG2 LYS 6 7.991 -8.450 -5.043 54 HG3 LYS 6 HG3 LYS 6 8.686 -7.272 -3.965 55 HD2 LYS 6 HD2 LYS 6 8.992 -10.283 -4.235 56 HD3 LYS 6 HD3 LYS 6 10.260 -9.113 -3.881 57 HE2 LYS 6 HE2 LYS 6 9.664 -9.109 -1.516 58 HE3 LYS 6 HE3 LYS 6 8.171 -9.998 -1.838 59 HZ1 LYS 6 HZ1 LYS 6 10.887 -11.131 -2.055 60 HZ2 LYS 6 HZ2 LYS 6 9.486 -11.957 -2.433 61 HZ3 LYS 6 HZ3 LYS 6 9.763 -11.450 -0.928 62 H THR 7 H THR 7 9.019 -6.779 -0.366 63 HA THR 7 HA THR 7 9.028 -4.057 -1.502 64 HB THR 7 HB THR 7 9.915 -3.164 0.338 65 HG1 THR 7 HG1 THR 7 11.227 -4.198 1.778 66 HG21 THR 7 1HG2 THR 7 8.929 -4.031 2.363 67 HG22 THR 7 2HG2 THR 7 8.743 -5.649 1.650 68 HG23 THR 7 3HG2 THR 7 7.780 -4.285 1.040 69 H LEU 8 H LEU 8 11.072 -2.870 -1.709 70 HA LEU 8 HA LEU 8 12.649 -3.907 -3.809 71 HB2 LEU 8 HB2 LEU 8 13.029 -1.556 -1.895 72 HB3 LEU 8 HB3 LEU 8 14.129 -1.884 -3.213 73 HG LEU 8 HG LEU 8 12.640 -0.109 -3.791 74 HD11 LEU 8 1HD1 LEU 8 11.938 -2.547 -5.469 75 HD12 LEU 8 2HD1 LEU 8 13.448 -1.617 -5.580 76 HD13 LEU 8 3HD1 LEU 8 11.905 -0.845 -5.969 77 HD21 LEU 8 3HD2 LEU 8 10.284 -0.314 -4.141 78 HD22 LEU 8 1HD2 LEU 8 10.639 -0.762 -2.467 79 HD23 LEU 8 2HD2 LEU 8 10.282 -2.020 -3.694 80 H THR 9 H THR 9 13.290 -4.060 -0.314 81 HA THR 9 HA THR 9 15.939 -5.176 -0.780 82 HB THR 9 HB THR 9 14.912 -5.330 1.975 83 HG1 THR 9 HG1 THR 9 15.549 -3.032 2.104 84 HG21 THR 9 1HG2 THR 9 17.274 -5.844 1.374 85 HG22 THR 9 2HG2 THR 9 17.156 -4.461 2.471 86 HG23 THR 9 3HG2 THR 9 17.461 -4.197 0.738 87 H GLY 10 H GLY 10 13.333 -6.586 -1.546 88 HA2 GLY 10 HA2 GLY 10 12.917 -8.797 -2.027 89 HA3 GLY 10 HA3 GLY 10 14.272 -9.299 -1.014 90 H LYS 11 H LYS 11 12.575 -7.402 1.106 91 HA LYS 11 HA LYS 11 11.594 -9.611 2.597 92 HB2 LYS 11 HB2 LYS 11 10.715 -6.698 2.845 93 HB3 LYS 11 HB3 LYS 11 10.272 -8.001 3.941 94 HG2 LYS 11 HG2 LYS 11 12.975 -8.251 4.058 95 HG3 LYS 11 HG3 LYS 11 12.853 -6.528 3.720 96 HD2 LYS 11 HD2 LYS 11 11.607 -8.066 6.043 97 HD3 LYS 11 HD3 LYS 11 12.967 -6.949 6.139 98 HE2 LYS 11 HE2 LYS 11 11.506 -5.041 5.630 99 HE3 LYS 11 HE3 LYS 11 10.144 -6.131 5.335 100 HZ1 LYS 11 HZ1 LYS 11 11.404 -5.585 7.960 101 HZ2 LYS 11 HZ2 LYS 11 10.334 -6.808 7.729 102 HZ3 LYS 11 HZ3 LYS 11 9.845 -5.302 7.515 103 H THR 12 H THR 12 9.749 -10.643 2.821 104 HA THR 12 HA THR 12 7.382 -9.893 1.172 105 HB THR 12 HB THR 12 7.975 -12.626 2.320 106 HG1 THR 12 HG1 THR 12 8.439 -13.137 0.175 107 HG21 THR 12 1HG2 THR 12 5.963 -11.656 0.236 108 HG22 THR 12 2HG2 THR 12 5.583 -12.220 1.881 109 HG23 THR 12 3HG2 THR 12 6.248 -13.349 0.697 110 H ILE 13 H ILE 13 6.433 -8.427 2.504 111 HA ILE 13 HA ILE 13 6.243 -8.718 5.388 112 HB ILE 13 HB ILE 13 4.476 -6.991 3.636 113 HG12 ILE 13 2HG1 ILE 13 6.659 -6.417 2.838 114 HG13 ILE 13 3HG1 ILE 13 6.061 -5.126 3.856 115 HG21 ILE 13 1HG2 ILE 13 3.775 -7.071 5.951 116 HG22 ILE 13 2HG2 ILE 13 5.407 -6.660 6.510 117 HG23 ILE 13 3HG2 ILE 13 4.439 -5.486 5.592 118 HD11 ILE 13 3HD1 ILE 13 8.421 -5.511 4.295 119 HD12 ILE 13 1HD1 ILE 13 7.492 -5.956 5.729 120 HD13 ILE 13 2HD1 ILE 13 8.127 -7.221 4.662 121 H THR 14 H THR 14 4.659 -9.651 6.567 122 HA THR 14 HA THR 14 2.308 -10.860 5.215 123 HB THR 14 HB THR 14 3.086 -11.263 8.098 124 HG1 THR 14 HG1 THR 14 4.726 -12.008 6.741 125 HG21 THR 14 1HG2 THR 14 1.780 -13.382 7.781 126 HG22 THR 14 2HG2 THR 14 1.267 -12.789 6.183 127 HG23 THR 14 3HG2 THR 14 0.782 -11.923 7.661 128 H LEU 15 H LEU 15 0.238 -10.209 5.504 129 HA LEU 15 HA LEU 15 -0.407 -8.241 7.639 130 HB2 LEU 15 HB2 LEU 15 -1.103 -8.104 4.689 131 HB3 LEU 15 HB3 LEU 15 -1.999 -7.194 5.898 132 HG LEU 15 HG LEU 15 1.011 -6.884 5.480 133 HD11 LEU 15 1HD1 LEU 15 -1.271 -5.182 4.381 134 HD12 LEU 15 2HD1 LEU 15 -0.242 -6.272 3.435 135 HD13 LEU 15 3HD1 LEU 15 0.469 -4.858 4.221 136 HD21 LEU 15 3HD2 LEU 15 0.109 -6.112 7.692 137 HD22 LEU 15 1HD2 LEU 15 -1.046 -5.068 6.842 138 HD23 LEU 15 2HD2 LEU 15 0.703 -4.789 6.706 139 H GLU 16 H GLU 16 -2.735 -8.162 8.104 140 HA GLU 16 HA GLU 16 -4.211 -10.669 7.550 141 HB2 GLU 16 HB2 GLU 16 -2.933 -11.051 9.585 142 HB3 GLU 16 HB3 GLU 16 -3.551 -9.565 10.313 143 HG2 GLU 16 HG2 GLU 16 -5.818 -10.480 10.343 144 HG3 GLU 16 HG3 GLU 16 -5.302 -11.902 9.437 145 H VAL 17 H VAL 17 -6.225 -10.208 6.969 146 HA VAL 17 HA VAL 17 -7.588 -7.664 7.655 147 HB VAL 17 HB VAL 17 -7.905 -7.161 5.243 148 HG11 VAL 17 1HG1 VAL 17 -5.768 -6.165 4.779 149 HG12 VAL 17 2HG1 VAL 17 -6.107 -6.016 6.510 150 HG13 VAL 17 3HG1 VAL 17 -4.938 -7.223 5.931 151 HG21 VAL 17 3HG2 VAL 17 -5.766 -9.290 4.719 152 HG22 VAL 17 1HG2 VAL 17 -7.485 -9.397 4.273 153 HG23 VAL 17 2HG2 VAL 17 -6.460 -8.169 3.536 154 H GLU 18 H GLU 18 -9.769 -7.598 6.460 155 HA GLU 18 HA GLU 18 -10.914 -10.354 6.128 156 HB2 GLU 18 HB2 GLU 18 -12.323 -7.700 6.588 157 HB3 GLU 18 HB3 GLU 18 -13.107 -9.244 6.223 158 HG2 GLU 18 HG2 GLU 18 -12.025 -10.226 8.274 159 HG3 GLU 18 HG3 GLU 18 -11.425 -8.622 8.692 160 HA PRO 19 HA PRO 19 -11.088 -9.475 1.709 161 HB2 PRO 19 HB2 PRO 19 -13.241 -10.984 0.903 162 HB3 PRO 19 HB3 PRO 19 -11.665 -11.690 1.369 163 HG2 PRO 19 HG2 PRO 19 -14.136 -11.358 3.104 164 HG3 PRO 19 HG3 PRO 19 -13.144 -12.836 2.867 165 HD2 PRO 19 HD2 PRO 19 -12.775 -11.225 5.009 166 HD3 PRO 19 HD3 PRO 19 -11.372 -11.957 4.177 167 H SER 20 H SER 20 -13.515 -8.545 3.912 168 HA SER 20 HA SER 20 -15.049 -6.907 1.984 169 HB2 SER 20 HB2 SER 20 -16.049 -8.323 3.915 170 HB3 SER 20 HB3 SER 20 -15.463 -7.034 4.983 171 HG SER 20 HG SER 20 -17.653 -6.773 4.206 172 H ASP 21 H ASP 21 -12.115 -6.529 3.706 173 HA ASP 21 HA ASP 21 -12.400 -3.792 4.462 174 HB2 ASP 21 HB2 ASP 21 -10.011 -5.547 4.054 175 HB3 ASP 21 HB3 ASP 21 -9.814 -3.810 4.072 176 H THR 22 H THR 22 -12.303 -1.954 3.522 177 HA THR 22 HA THR 22 -12.223 -1.696 0.674 178 HB THR 22 HB THR 22 -12.625 0.502 0.808 179 HG1 THR 22 HG1 THR 22 -12.081 1.552 2.976 180 HG21 THR 22 1HG2 THR 22 -13.522 -0.252 3.622 181 HG22 THR 22 2HG2 THR 22 -14.402 -0.686 2.137 182 HG23 THR 22 3HG2 THR 22 -14.182 1.017 2.570 183 H ILE 23 H ILE 23 -10.668 -0.585 -0.670 184 HA ILE 23 HA ILE 23 -7.955 -1.425 -0.231 185 HB ILE 23 HB ILE 23 -9.169 0.699 -2.036 186 HG12 ILE 23 2HG1 ILE 23 -9.934 -1.528 -2.630 187 HG13 ILE 23 3HG1 ILE 23 -8.844 -0.908 -3.849 188 HG21 ILE 23 1HG2 ILE 23 -6.311 -0.320 -1.944 189 HG22 ILE 23 2HG2 ILE 23 -7.028 0.512 -3.347 190 HG23 ILE 23 3HG2 ILE 23 -6.908 1.358 -1.807 191 HD11 ILE 23 3HD1 ILE 23 -8.420 -3.269 -3.487 192 HD12 ILE 23 1HD1 ILE 23 -7.013 -2.360 -2.927 193 HD13 ILE 23 2HD1 ILE 23 -8.176 -3.024 -1.755 194 H GLU 24 H GLU 24 -9.680 1.527 0.705 195 HA GLU 24 HA GLU 24 -7.328 2.985 1.575 196 HB2 GLU 24 HB2 GLU 24 -9.560 3.915 0.823 197 HB3 GLU 24 HB3 GLU 24 -10.221 3.441 2.396 198 HG2 GLU 24 HG2 GLU 24 -8.691 4.946 3.541 199 HG3 GLU 24 HG3 GLU 24 -7.746 5.185 2.075 200 H ASN 25 H ASN 25 -9.762 0.932 3.285 201 HA ASN 25 HA ASN 25 -8.798 1.110 5.931 202 HB2 ASN 25 HB2 ASN 25 -10.130 -1.084 4.338 203 HB3 ASN 25 HB3 ASN 25 -9.548 -1.352 5.960 204 HD21 ASN 25 1HD2 ASN 25 -11.590 -1.839 6.588 205 HD22 ASN 25 2HD2 ASN 25 -12.766 -0.538 6.910 206 H VAL 26 H VAL 26 -7.644 -1.033 3.277 207 HA VAL 26 HA VAL 26 -5.548 -2.229 4.895 208 HB VAL 26 HB VAL 26 -5.814 -2.132 1.889 209 HG11 VAL 26 1HG1 VAL 26 -4.467 -4.239 1.948 210 HG12 VAL 26 2HG1 VAL 26 -3.552 -2.865 2.567 211 HG13 VAL 26 3HG1 VAL 26 -4.252 -4.040 3.700 212 HG21 VAL 26 3HG2 VAL 26 -7.816 -3.182 2.866 213 HG22 VAL 26 1HG2 VAL 26 -6.809 -4.441 2.187 214 HG23 VAL 26 2HG2 VAL 26 -6.825 -4.173 3.941 215 H LYS 27 H LYS 27 -5.554 0.555 2.618 216 HA LYS 27 HA LYS 27 -2.710 1.096 2.855 217 HB2 LYS 27 HB2 LYS 27 -5.131 2.820 2.160 218 HB3 LYS 27 HB3 LYS 27 -3.639 3.595 2.603 219 HG2 LYS 27 HG2 LYS 27 -3.419 3.657 0.380 220 HG3 LYS 27 HG3 LYS 27 -2.501 2.189 0.730 221 HD2 LYS 27 HD2 LYS 27 -4.352 0.805 -0.000 222 HD3 LYS 27 HD3 LYS 27 -5.439 2.201 -0.076 223 HE2 LYS 27 HE2 LYS 27 -2.994 1.968 -1.856 224 HE3 LYS 27 HE3 LYS 27 -4.561 1.287 -2.286 225 HZ1 LYS 27 HZ1 LYS 27 -4.000 4.170 -1.866 226 HZ2 LYS 27 HZ2 LYS 27 -5.512 3.550 -2.035 227 HZ3 LYS 27 HZ3 LYS 27 -4.453 3.384 -3.255 228 H ALA 28 H ALA 28 -5.330 1.654 5.113 229 HA ALA 28 HA ALA 28 -3.623 3.325 6.843 230 HB1 ALA 28 HB1 ALA 28 -5.554 3.302 8.352 231 HB2 ALA 28 HB2 ALA 28 -6.049 3.709 6.699 232 HB3 ALA 28 HB3 ALA 28 -6.363 2.085 7.345 233 H LYS 29 H LYS 29 -5.055 0.030 7.176 234 HA LYS 29 HA LYS 29 -3.850 -0.703 9.612 235 HB2 LYS 29 HB2 LYS 29 -4.625 -2.407 7.209 236 HB3 LYS 29 HB3 LYS 29 -4.158 -3.093 8.766 237 HG2 LYS 29 HG2 LYS 29 -6.077 -2.155 9.888 238 HG3 LYS 29 HG3 LYS 29 -6.491 -1.162 8.488 239 HD2 LYS 29 HD2 LYS 29 -6.800 -3.302 7.159 240 HD3 LYS 29 HD3 LYS 29 -6.625 -4.218 8.647 241 HE2 LYS 29 HE2 LYS 29 -8.759 -2.085 8.063 242 HE3 LYS 29 HE3 LYS 29 -8.995 -3.813 7.848 243 HZ1 LYS 29 HZ1 LYS 29 -8.440 -2.543 10.463 244 HZ2 LYS 29 HZ2 LYS 29 -8.749 -4.145 10.187 245 HZ3 LYS 29 HZ3 LYS 29 -9.917 -3.035 9.939 246 H ILE 30 H ILE 30 -2.229 -0.628 6.483 247 HA ILE 30 HA ILE 30 0.004 -2.267 7.309 248 HB ILE 30 HB ILE 30 -0.750 -1.666 4.934 249 HG12 ILE 30 2HG1 ILE 30 2.191 -1.425 5.651 250 HG13 ILE 30 3HG1 ILE 30 1.295 -2.936 5.538 251 HG21 ILE 30 1HG2 ILE 30 -0.738 0.823 5.331 252 HG22 ILE 30 2HG2 ILE 30 1.033 0.749 5.260 253 HG23 ILE 30 3HG2 ILE 30 0.059 0.283 3.852 254 HD11 ILE 30 3HD1 ILE 30 0.817 -2.452 3.120 255 HD12 ILE 30 1HD1 ILE 30 1.907 -1.048 3.227 256 HD13 ILE 30 2HD1 ILE 30 2.528 -2.687 3.492 257 H GLN 31 H GLN 31 -0.708 1.133 8.040 258 HA GLN 31 HA GLN 31 2.124 1.748 8.566 259 HB2 GLN 31 HB2 GLN 31 -0.452 3.319 8.967 260 HB3 GLN 31 HB3 GLN 31 1.049 3.800 9.742 261 HG2 GLN 31 HG2 GLN 31 1.389 5.035 7.915 262 HG3 GLN 31 HG3 GLN 31 2.014 3.549 7.227 263 HE21 GLN 31 1HE2 GLN 31 1.027 2.921 5.248 264 HE22 GLN 31 2HE2 GLN 31 -0.657 3.374 4.902 265 H ASP 32 H ASP 32 -0.658 0.564 10.288 266 HA ASP 32 HA ASP 32 0.485 0.673 12.925 267 HB2 ASP 32 HB2 ASP 32 -1.950 -0.477 11.633 268 HB3 ASP 32 HB3 ASP 32 -1.446 -1.189 13.126 269 H LYS 33 H LYS 33 0.130 -2.145 10.690 270 HA LYS 33 HA LYS 33 1.422 -3.837 12.637 271 HB2 LYS 33 HB2 LYS 33 -0.230 -4.430 10.695 272 HB3 LYS 33 HB3 LYS 33 1.190 -4.598 9.700 273 HG2 LYS 33 HG2 LYS 33 1.537 -6.017 12.286 274 HG3 LYS 33 HG3 LYS 33 0.031 -6.477 11.507 275 HD2 LYS 33 HD2 LYS 33 1.594 -8.080 10.833 276 HD3 LYS 33 HD3 LYS 33 1.299 -7.072 9.443 277 HE2 LYS 33 HE2 LYS 33 3.613 -7.624 9.467 278 HE3 LYS 33 HE3 LYS 33 3.492 -5.905 9.854 279 HZ1 LYS 33 HZ1 LYS 33 3.885 -6.406 12.148 280 HZ2 LYS 33 HZ2 LYS 33 5.072 -7.084 11.281 281 HZ3 LYS 33 HZ3 LYS 33 3.888 -8.056 11.874 282 H GLU 34 H GLU 34 2.702 -2.291 9.779 283 HA GLU 34 HA GLU 34 5.456 -3.348 10.383 284 HB2 GLU 34 HB2 GLU 34 4.278 -4.487 8.471 285 HB3 GLU 34 HB3 GLU 34 4.177 -2.929 7.667 286 HG2 GLU 34 HG2 GLU 34 5.962 -4.118 6.688 287 HG3 GLU 34 HG3 GLU 34 6.691 -2.815 7.587 288 H GLY 35 H GLY 35 3.571 -0.488 9.709 289 HA2 GLY 35 HA2 GLY 35 4.227 1.741 9.740 290 HA3 GLY 35 HA3 GLY 35 5.862 1.228 10.143 291 H ILE 36 H ILE 36 3.748 0.691 7.245 292 HA ILE 36 HA ILE 36 5.943 1.792 5.520 293 HB ILE 36 HB ILE 36 3.707 -0.128 4.911 294 HG12 ILE 36 2HG1 ILE 36 6.745 -0.460 4.865 295 HG13 ILE 36 3HG1 ILE 36 5.709 -1.018 6.171 296 HG21 ILE 36 1HG2 ILE 36 4.520 -0.285 2.635 297 HG22 ILE 36 2HG2 ILE 36 4.132 1.386 2.951 298 HG23 ILE 36 3HG2 ILE 36 5.832 0.859 2.976 299 HD11 ILE 36 3HD1 ILE 36 5.622 -2.090 3.326 300 HD12 ILE 36 1HD1 ILE 36 6.337 -2.864 4.736 301 HD13 ILE 36 2HD1 ILE 36 4.584 -2.605 4.680 302 HA PRO 37 HA PRO 37 2.752 5.072 5.418 303 HB2 PRO 37 HB2 PRO 37 4.326 7.284 5.370 304 HB3 PRO 37 HB3 PRO 37 4.104 6.306 6.855 305 HG2 PRO 37 HG2 PRO 37 6.384 6.145 4.848 306 HG3 PRO 37 HG3 PRO 37 6.492 6.289 6.633 307 HD2 PRO 37 HD2 PRO 37 6.654 3.876 5.358 308 HD3 PRO 37 HD3 PRO 37 5.859 4.062 6.951 309 HA PRO 38 HA PRO 38 2.612 5.516 1.028 310 HB2 PRO 38 HB2 PRO 38 0.803 7.528 0.654 311 HB3 PRO 38 HB3 PRO 38 0.358 5.949 1.370 312 HG2 PRO 38 HG2 PRO 38 1.058 8.519 2.835 313 HG3 PRO 38 HG3 PRO 38 -0.377 7.469 3.076 314 HD2 PRO 38 HD2 PRO 38 1.823 7.240 4.653 315 HD3 PRO 38 HD3 PRO 38 0.911 5.796 4.130 316 H ASP 39 H ASP 39 3.933 8.176 2.860 317 HA ASP 39 HA ASP 39 4.649 9.791 0.608 318 HB2 ASP 39 HB2 ASP 39 5.410 9.716 3.479 319 HB3 ASP 39 HB3 ASP 39 6.636 10.375 2.410 320 H GLN 40 H GLN 40 6.214 6.910 1.809 321 HA GLN 40 HA GLN 40 8.668 7.557 0.255 322 HB2 GLN 40 HB2 GLN 40 8.552 6.740 2.732 323 HB3 GLN 40 HB3 GLN 40 8.164 5.179 2.053 324 HG2 GLN 40 HG2 GLN 40 10.401 4.904 2.293 325 HG3 GLN 40 HG3 GLN 40 10.429 5.561 0.662 326 HE21 GLN 40 1HE2 GLN 40 9.872 8.435 1.906 327 HE22 GLN 40 2HE2 GLN 40 11.465 8.814 2.535 328 H ASN 41 H ASN 41 5.768 5.708 -0.285 329 HA ASN 41 HA ASN 41 6.945 4.097 -2.451 330 HB2 ASN 41 HB2 ASN 41 6.590 1.969 -1.205 331 HB3 ASN 41 HB3 ASN 41 7.723 2.984 -0.357 332 HD21 ASN 41 1HD2 ASN 41 7.228 3.548 1.755 333 HD22 ASN 41 2HD2 ASN 41 5.612 3.413 2.418 334 H ARG 42 H ARG 42 5.132 2.376 -3.209 335 HA ARG 42 HA ARG 42 2.481 2.841 -2.196 336 HB2 ARG 42 HB2 ARG 42 1.285 3.480 -4.192 337 HB3 ARG 42 HB3 ARG 42 2.442 4.716 -3.725 338 HG2 ARG 42 HG2 ARG 42 3.971 3.971 -5.568 339 HG3 ARG 42 HG3 ARG 42 2.754 2.771 -6.049 340 HD2 ARG 42 HD2 ARG 42 1.085 4.652 -6.315 341 HD3 ARG 42 HD3 ARG 42 2.388 5.805 -5.981 342 HE ARG 42 HE ARG 42 3.398 4.363 -8.093 343 HH11 ARG 42 1HH1 ARG 42 0.317 6.231 -7.857 344 HH12 ARG 42 2HH1 ARG 42 0.245 6.295 -9.590 345 HH21 ARG 42 1HH2 ARG 42 3.153 4.703 -10.246 346 HH22 ARG 42 2HH2 ARG 42 1.746 5.570 -10.841 347 H LEU 43 H LEU 43 1.131 1.156 -2.459 348 HA LEU 43 HA LEU 43 2.290 -1.394 -3.128 349 HB2 LEU 43 HB2 LEU 43 -0.638 -0.725 -2.626 350 HB3 LEU 43 HB3 LEU 43 0.101 -2.317 -2.550 351 HG LEU 43 HG LEU 43 0.668 -0.009 -0.638 352 HD11 LEU 43 1HD1 LEU 43 -0.866 -2.610 -0.231 353 HD12 LEU 43 2HD1 LEU 43 -1.593 -0.996 -0.379 354 HD13 LEU 43 3HD1 LEU 43 -0.548 -1.372 1.001 355 HD21 LEU 43 3HD2 LEU 43 2.619 -1.490 -0.860 356 HD22 LEU 43 1HD2 LEU 43 1.592 -2.914 -0.581 357 HD23 LEU 43 2HD2 LEU 43 1.849 -1.715 0.710 358 H ILE 44 H ILE 44 2.398 -2.437 -4.988 359 HA ILE 44 HA ILE 44 0.360 -1.838 -7.150 360 HB ILE 44 HB ILE 44 3.102 -3.094 -7.434 361 HG12 ILE 44 2HG1 ILE 44 3.415 -0.788 -6.870 362 HG13 ILE 44 3HG1 ILE 44 3.805 -1.060 -8.560 363 HG21 ILE 44 1HG2 ILE 44 2.764 -2.700 -9.888 364 HG22 ILE 44 2HG2 ILE 44 1.679 -3.908 -9.218 365 HG23 ILE 44 3HG2 ILE 44 1.075 -2.274 -9.561 366 HD11 ILE 44 3HD1 ILE 44 1.671 -0.019 -9.255 367 HD12 ILE 44 1HD1 ILE 44 1.253 0.264 -7.551 368 HD13 ILE 44 2HD1 ILE 44 2.653 1.074 -8.265 369 H PHE 45 H PHE 45 -0.834 -3.510 -8.128 370 HA PHE 45 HA PHE 45 -0.025 -6.249 -7.555 371 HB2 PHE 45 HB2 PHE 45 -1.405 -6.135 -5.728 372 HB3 PHE 45 HB3 PHE 45 -2.648 -5.249 -6.589 373 HD1 PHE 45 HD2 PHE 45 -4.221 -6.364 -8.145 374 HD2 PHE 45 HD1 PHE 45 -1.280 -8.592 -5.902 375 HE1 PHE 45 HE2 PHE 45 -5.471 -8.463 -8.582 376 HE2 PHE 45 HE1 PHE 45 -2.530 -10.688 -6.360 377 HZ PHE 45 HZ PHE 45 -4.634 -10.624 -7.682 378 H ALA 46 H ALA 46 -0.066 -7.578 -9.203 379 HA ALA 46 HA ALA 46 0.006 -8.051 -11.436 380 HB1 ALA 46 HB1 ALA 46 -2.078 -9.077 -10.636 381 HB2 ALA 46 HB2 ALA 46 -2.980 -7.617 -11.101 382 HB3 ALA 46 HB3 ALA 46 -2.186 -8.608 -12.344 383 H GLY 47 H GLY 47 1.003 -5.630 -11.312 384 HA2 GLY 47 HA2 GLY 47 1.589 -3.841 -12.651 385 HA3 GLY 47 HA3 GLY 47 0.370 -4.343 -13.820 386 H LYS 48 H LYS 48 -1.852 -4.132 -11.737 387 HA LYS 48 HA LYS 48 -2.418 -1.311 -12.149 388 HB2 LYS 48 HB2 LYS 48 -3.953 -3.560 -10.810 389 HB3 LYS 48 HB3 LYS 48 -4.427 -1.874 -10.600 390 HG2 LYS 48 HG2 LYS 48 -4.302 -1.750 -13.227 391 HG3 LYS 48 HG3 LYS 48 -4.455 -3.506 -13.145 392 HD2 LYS 48 HD2 LYS 48 -6.364 -1.488 -11.859 393 HD3 LYS 48 HD3 LYS 48 -6.619 -2.223 -13.436 394 HE2 LYS 48 HE2 LYS 48 -6.871 -4.416 -12.523 395 HE3 LYS 48 HE3 LYS 48 -6.314 -3.908 -10.922 396 HZ1 LYS 48 HZ1 LYS 48 -8.805 -4.097 -11.168 397 HZ2 LYS 48 HZ2 LYS 48 -8.777 -2.814 -12.187 398 HZ3 LYS 48 HZ3 LYS 48 -8.316 -2.620 -10.642 399 H GLN 49 H GLN 49 -2.553 0.313 -10.869 400 HA GLN 49 HA GLN 49 -1.338 0.304 -8.154 401 HB2 GLN 49 HB2 GLN 49 -2.691 2.558 -9.737 402 HB3 GLN 49 HB3 GLN 49 -1.804 2.718 -8.235 403 HG2 GLN 49 HG2 GLN 49 -0.389 3.507 -10.000 404 HG3 GLN 49 HG3 GLN 49 0.285 2.000 -9.404 405 HE21 GLN 49 1HE2 GLN 49 1.393 1.317 -11.336 406 HE22 GLN 49 2HE2 GLN 49 0.467 0.909 -12.763 407 H LEU 50 H LEU 50 -2.657 0.659 -6.298 408 HA LEU 50 HA LEU 50 -5.472 -0.242 -6.640 409 HB2 LEU 50 HB2 LEU 50 -3.672 -0.296 -4.189 410 HB3 LEU 50 HB3 LEU 50 -5.319 -0.926 -4.295 411 HG LEU 50 HG LEU 50 -2.899 -1.999 -5.814 412 HD11 LEU 50 1HD1 LEU 50 -3.250 -3.981 -4.399 413 HD12 LEU 50 2HD1 LEU 50 -4.570 -3.162 -3.548 414 HD13 LEU 50 3HD1 LEU 50 -2.903 -2.549 -3.416 415 HD21 LEU 50 3HD2 LEU 50 -4.874 -2.336 -7.192 416 HD22 LEU 50 1HD2 LEU 50 -5.808 -2.912 -5.789 417 HD23 LEU 50 2HD2 LEU 50 -4.464 -3.871 -6.434 418 H GLU 51 H GLU 51 -7.045 1.139 -6.458 419 HA GLU 51 HA GLU 51 -6.546 3.823 -5.308 420 HB2 GLU 51 HB2 GLU 51 -6.840 3.366 -7.761 421 HB3 GLU 51 HB3 GLU 51 -8.541 2.967 -7.412 422 HG2 GLU 51 HG2 GLU 51 -8.960 5.227 -6.592 423 HG3 GLU 51 HG3 GLU 51 -7.250 5.642 -6.775 424 H ASP 52 H ASP 52 -8.075 4.894 -4.120 425 HA ASP 52 HA ASP 52 -9.574 3.378 -2.264 426 HB2 ASP 52 HB2 ASP 52 -10.378 5.861 -1.669 427 HB3 ASP 52 HB3 ASP 52 -8.856 5.144 -1.183 428 H GLY 53 H GLY 53 -11.792 3.923 -1.515 429 HA2 GLY 53 HA2 GLY 53 -14.067 3.820 -1.858 430 HA3 GLY 53 HA3 GLY 53 -13.818 4.392 -3.506 431 H ARG 54 H ARG 54 -11.967 1.627 -3.328 432 HA ARG 54 HA ARG 54 -14.213 -0.268 -3.974 433 HB2 ARG 54 HB2 ARG 54 -11.309 -0.436 -4.859 434 HB3 ARG 54 HB3 ARG 54 -12.624 -1.489 -5.357 435 HG2 ARG 54 HG2 ARG 54 -12.183 1.397 -6.147 436 HG3 ARG 54 HG3 ARG 54 -12.114 -0.038 -7.159 437 HD2 ARG 54 HD2 ARG 54 -14.251 0.274 -7.731 438 HD3 ARG 54 HD3 ARG 54 -14.726 -0.126 -6.098 439 HE ARG 54 HE ARG 54 -15.130 2.120 -5.645 440 HH11 ARG 54 1HH1 ARG 54 -13.307 1.973 -8.654 441 HH12 ARG 54 2HH1 ARG 54 -13.289 3.731 -8.788 442 HH21 ARG 54 1HH2 ARG 54 -15.191 4.384 -6.105 443 HH22 ARG 54 2HH2 ARG 54 -14.287 4.949 -7.508 444 H THR 55 H THR 55 -13.368 -2.641 -3.677 445 HA THR 55 HA THR 55 -12.001 -2.933 -1.058 446 HB THR 55 HB THR 55 -13.234 -4.664 -0.330 447 HG1 THR 55 HG1 THR 55 -14.608 -5.850 -1.689 448 HG21 THR 55 1HG2 THR 55 -15.376 -3.263 -1.977 449 HG22 THR 55 2HG2 THR 55 -14.715 -2.641 -0.443 450 HG23 THR 55 3HG2 THR 55 -15.582 -4.182 -0.469 451 H LEU 56 H LEU 56 -10.934 -5.079 -0.675 452 HA LEU 56 HA LEU 56 -8.853 -5.627 -2.529 453 HB2 LEU 56 HB2 LEU 56 -10.257 -7.356 -0.464 454 HB3 LEU 56 HB3 LEU 56 -8.796 -7.879 -1.286 455 HG LEU 56 HG LEU 56 -8.904 -5.370 0.448 456 HD11 LEU 56 1HD1 LEU 56 -7.851 -8.155 1.116 457 HD12 LEU 56 2HD1 LEU 56 -9.331 -7.420 1.772 458 HD13 LEU 56 3HD1 LEU 56 -7.766 -6.707 2.149 459 HD21 LEU 56 3HD2 LEU 56 -6.394 -5.708 0.406 460 HD22 LEU 56 1HD2 LEU 56 -7.079 -5.287 -1.164 461 HD23 LEU 56 2HD2 LEU 56 -6.626 -6.972 -0.808 462 H SER 57 H SER 57 -11.941 -7.412 -2.087 463 HA SER 57 HA SER 57 -11.451 -9.299 -4.178 464 HB2 SER 57 HB2 SER 57 -13.092 -9.587 -2.320 465 HB3 SER 57 HB3 SER 57 -14.123 -8.355 -3.075 466 HG SER 57 HG SER 57 -13.850 -9.851 -5.027 467 H ASP 58 H ASP 58 -12.747 -6.005 -4.318 468 HA ASP 58 HA ASP 58 -13.994 -6.252 -6.962 469 HB2 ASP 58 HB2 ASP 58 -14.294 -4.455 -5.030 470 HB3 ASP 58 HB3 ASP 58 -12.882 -3.693 -5.748 471 H TYR 59 H TYR 59 -10.726 -5.637 -5.712 472 HA TYR 59 HA TYR 59 -9.630 -5.233 -8.388 473 HB2 TYR 59 HB2 TYR 59 -8.469 -4.991 -5.670 474 HB3 TYR 59 HB3 TYR 59 -7.390 -5.362 -6.993 475 HD1 TYR 59 HD1 TYR 59 -9.730 -2.814 -5.673 476 HD2 TYR 59 HD2 TYR 59 -6.832 -3.821 -8.696 477 HE1 TYR 59 HE1 TYR 59 -9.502 -0.388 -6.279 478 HE2 TYR 59 HE2 TYR 59 -6.643 -1.386 -9.321 479 HH TYR 59 HH TYR 59 -8.193 0.805 -9.053 480 H ASN 60 H ASN 60 -10.884 -7.896 -7.359 481 HA ASN 60 HA ASN 60 -10.633 -10.089 -7.734 482 HB2 ASN 60 HB2 ASN 60 -9.947 -8.982 -10.057 483 HB3 ASN 60 HB3 ASN 60 -8.364 -9.659 -9.679 484 HD21 ASN 60 1HD2 ASN 60 -8.997 -12.143 -8.625 485 HD22 ASN 60 2HD2 ASN 60 -9.940 -13.061 -9.810 486 H ILE 61 H ILE 61 -8.866 -8.667 -5.656 487 HA ILE 61 HA ILE 61 -6.491 -10.379 -5.439 488 HB ILE 61 HB ILE 61 -7.607 -8.479 -3.356 489 HG12 ILE 61 2HG1 ILE 61 -5.642 -7.855 -5.594 490 HG13 ILE 61 3HG1 ILE 61 -7.273 -7.222 -5.447 491 HG21 ILE 61 1HG2 ILE 61 -5.905 -10.131 -2.565 492 HG22 ILE 61 2HG2 ILE 61 -4.781 -9.527 -3.799 493 HG23 ILE 61 3HG2 ILE 61 -5.320 -8.482 -2.466 494 HD11 ILE 61 3HD1 ILE 61 -5.743 -5.510 -4.791 495 HD12 ILE 61 1HD1 ILE 61 -6.642 -6.045 -3.356 496 HD13 ILE 61 2HD1 ILE 61 -4.948 -6.563 -3.609 497 H GLN 62 H GLN 62 -6.304 -12.191 -4.166 498 HA GLN 62 HA GLN 62 -8.741 -13.131 -2.751 499 HB2 GLN 62 HB2 GLN 62 -8.283 -15.373 -3.470 500 HB3 GLN 62 HB3 GLN 62 -8.553 -14.313 -4.832 501 HG2 GLN 62 HG2 GLN 62 -5.715 -15.000 -3.949 502 HG3 GLN 62 HG3 GLN 62 -6.672 -16.129 -4.899 503 HE21 GLN 62 1HE2 GLN 62 -7.770 -15.030 -7.027 504 HE22 GLN 62 2HE2 GLN 62 -6.680 -13.903 -7.815 505 H LYS 63 H LYS 63 -7.971 -15.261 -1.452 506 HA LYS 63 HA LYS 63 -6.416 -14.291 0.794 507 HB2 LYS 63 HB2 LYS 63 -6.826 -16.493 1.751 508 HB3 LYS 63 HB3 LYS 63 -8.277 -15.923 0.963 509 HG2 LYS 63 HG2 LYS 63 -7.372 -17.235 -1.155 510 HG3 LYS 63 HG3 LYS 63 -6.388 -18.111 0.010 511 HD2 LYS 63 HD2 LYS 63 -8.237 -19.246 0.877 512 HD3 LYS 63 HD3 LYS 63 -9.346 -17.906 0.551 513 HE2 LYS 63 HE2 LYS 63 -9.931 -19.686 -0.954 514 HE3 LYS 63 HE3 LYS 63 -9.252 -18.343 -1.867 515 HZ1 LYS 63 HZ1 LYS 63 -7.055 -19.732 -1.680 516 HZ2 LYS 63 HZ2 LYS 63 -8.183 -20.143 -2.781 517 HZ3 LYS 63 HZ3 LYS 63 -8.057 -20.990 -1.379 518 H GLU 64 H GLU 64 -4.344 -14.514 1.288 519 HA GLU 64 HA GLU 64 -2.141 -14.828 1.120 520 HB2 GLU 64 HB2 GLU 64 -3.008 -17.471 -0.068 521 HB3 GLU 64 HB3 GLU 64 -1.295 -17.075 0.258 522 HG2 GLU 64 HG2 GLU 64 -1.640 -16.831 2.598 523 HG3 GLU 64 HG3 GLU 64 -3.336 -16.749 2.455 524 H SER 65 H SER 65 -3.625 -13.514 -1.299 525 HA SER 65 HA SER 65 -1.929 -13.738 -3.547 526 HB2 SER 65 HB2 SER 65 -3.405 -11.300 -2.482 527 HB3 SER 65 HB3 SER 65 -2.705 -11.422 -4.098 528 HG SER 65 HG SER 65 -4.233 -12.960 -4.650 529 H THR 66 H THR 66 0.053 -13.053 -4.062 530 HA THR 66 HA THR 66 1.543 -11.200 -2.413 531 HB THR 66 HB THR 66 2.558 -12.097 -5.077 532 HG1 THR 66 HG1 THR 66 3.214 -13.994 -4.188 533 HG21 THR 66 1HG2 THR 66 3.926 -10.535 -3.718 534 HG22 THR 66 2HG2 THR 66 4.703 -12.120 -3.882 535 HG23 THR 66 3HG2 THR 66 3.886 -11.688 -2.363 536 H LEU 67 H LEU 67 1.177 -9.138 -2.380 537 HA LEU 67 HA LEU 67 0.779 -7.555 -4.853 538 HB2 LEU 67 HB2 LEU 67 1.115 -6.697 -1.938 539 HB3 LEU 67 HB3 LEU 67 0.824 -5.649 -3.310 540 HG LEU 67 HG LEU 67 -1.320 -7.221 -3.650 541 HD11 LEU 67 1HD1 LEU 67 -0.864 -7.357 -0.639 542 HD12 LEU 67 2HD1 LEU 67 -0.929 -8.739 -1.747 543 HD13 LEU 67 3HD1 LEU 67 -2.377 -7.769 -1.486 544 HD21 LEU 67 3HD2 LEU 67 -1.139 -5.035 -1.535 545 HD22 LEU 67 1HD2 LEU 67 -2.614 -5.554 -2.386 546 HD23 LEU 67 2HD2 LEU 67 -1.303 -4.772 -3.288 547 H HIS 68 H HIS 68 2.303 -6.004 -5.515 548 HA HIS 68 HA HIS 68 5.148 -6.263 -4.633 549 HB2 HIS 68 HB2 HIS 68 3.972 -5.181 -7.201 550 HB3 HIS 68 HB3 HIS 68 5.583 -4.858 -6.672 551 HD1 HIS 68 HD1 HIS 68 3.704 -8.206 -7.401 552 HD2 HIS 68 HD2 HIS 68 7.467 -6.345 -7.440 553 HE1 HIS 68 HE1 HIS 68 5.351 -9.916 -8.318 554 H LEU 69 H LEU 69 6.303 -4.584 -4.437 555 HA LEU 69 HA LEU 69 4.735 -2.154 -3.786 556 HB2 LEU 69 HB2 LEU 69 6.132 -3.208 -1.990 557 HB3 LEU 69 HB3 LEU 69 7.532 -2.847 -2.958 558 HG LEU 69 HG LEU 69 7.177 -0.452 -2.623 559 HD11 LEU 69 1HD1 LEU 69 5.416 0.207 -0.912 560 HD12 LEU 69 2HD1 LEU 69 4.828 -1.441 -0.963 561 HD13 LEU 69 3HD1 LEU 69 4.719 -0.414 -2.403 562 HD21 LEU 69 3HD2 LEU 69 8.557 -1.674 -1.053 563 HD22 LEU 69 1HD2 LEU 69 7.129 -2.079 -0.070 564 HD23 LEU 69 2HD2 LEU 69 7.666 -0.397 -0.230 565 H VAL 70 H VAL 70 5.442 -0.183 -4.493 566 HA VAL 70 HA VAL 70 8.199 -0.224 -5.472 567 HB VAL 70 HB VAL 70 6.447 1.972 -6.564 568 HG11 VAL 70 1HG1 VAL 70 8.659 2.702 -6.953 569 HG12 VAL 70 2HG1 VAL 70 9.250 1.009 -7.144 570 HG13 VAL 70 3HG1 VAL 70 8.340 1.815 -8.366 571 HG21 VAL 70 3HG2 VAL 70 5.473 0.025 -7.462 572 HG22 VAL 70 1HG2 VAL 70 6.375 0.839 -8.721 573 HG23 VAL 70 2HG2 VAL 70 7.041 -0.603 -7.948 574 H LEU 71 H LEU 71 9.366 1.666 -5.183 575 HA LEU 71 HA LEU 71 8.888 3.597 -3.162 576 HB2 LEU 71 HB2 LEU 71 10.563 3.316 -5.588 577 HB3 LEU 71 HB3 LEU 71 10.198 4.941 -5.217 578 HG LEU 71 HG LEU 71 12.356 3.799 -4.367 579 HD11 LEU 71 1HD1 LEU 71 12.507 5.343 -2.467 580 HD12 LEU 71 2HD1 LEU 71 10.759 5.623 -2.565 581 HD13 LEU 71 3HD1 LEU 71 11.805 6.106 -3.906 582 HD21 LEU 71 3HD2 LEU 71 12.374 2.903 -2.152 583 HD22 LEU 71 1HD2 LEU 71 11.261 1.932 -3.127 584 HD23 LEU 71 2HD2 LEU 71 10.629 3.135 -1.964 585 H ARG 72 H ARG 72 8.510 5.733 -3.374 586 HA ARG 72 HA ARG 72 6.657 6.628 -5.491 587 HB2 ARG 72 HB2 ARG 72 6.911 7.360 -2.779 588 HB3 ARG 72 HB3 ARG 72 7.685 8.698 -3.619 589 HG2 ARG 72 HG2 ARG 72 5.670 9.324 -4.708 590 HG3 ARG 72 HG3 ARG 72 5.011 7.694 -4.608 591 HD2 ARG 72 HD2 ARG 72 3.682 8.739 -3.083 592 HD3 ARG 72 HD3 ARG 72 4.902 7.995 -2.084 593 HE ARG 72 HE ARG 72 5.699 10.070 -1.422 594 HH11 ARG 72 1HH1 ARG 72 3.469 10.698 -4.051 595 HH12 ARG 72 2HH1 ARG 72 2.904 12.198 -3.362 596 HH21 ARG 72 1HH2 ARG 72 4.649 11.960 -0.445 597 HH22 ARG 72 2HH2 ARG 72 3.697 12.916 -1.513 598 H LEU 73 H LEU 73 7.287 8.086 -7.069 599 HA LEU 73 HA LEU 73 10.213 8.531 -7.381 600 HB2 LEU 73 HB2 LEU 73 8.859 6.402 -8.594 601 HB3 LEU 73 HB3 LEU 73 8.872 7.609 -9.855 602 HG LEU 73 HG LEU 73 10.736 6.147 -10.116 603 HD11 LEU 73 1HD1 LEU 73 11.840 8.767 -9.024 604 HD12 LEU 73 2HD1 LEU 73 11.157 8.533 -10.648 605 HD13 LEU 73 3HD1 LEU 73 12.623 7.665 -10.168 606 HD21 LEU 73 3HD2 LEU 73 10.936 5.350 -7.787 607 HD22 LEU 73 1HD2 LEU 73 11.695 6.889 -7.323 608 HD23 LEU 73 2HD2 LEU 73 12.496 5.815 -8.485 609 H ARG 74 H ARG 74 7.096 9.257 -9.094 610 HA ARG 74 HA ARG 74 8.172 11.891 -9.866 611 HB2 ARG 74 HB2 ARG 74 6.029 12.356 -10.862 612 HB3 ARG 74 HB3 ARG 74 6.639 10.813 -11.424 613 HG2 ARG 74 HG2 ARG 74 4.795 9.719 -10.728 614 HG3 ARG 74 HG3 ARG 74 4.918 10.379 -9.105 615 HD2 ARG 74 HD2 ARG 74 2.812 11.020 -9.947 616 HD3 ARG 74 HD3 ARG 74 3.800 12.487 -9.889 617 HE ARG 74 HE ARG 74 4.172 12.031 -12.420 618 HH11 ARG 74 1HH1 ARG 74 1.054 11.352 -10.846 619 HH12 ARG 74 2HH1 ARG 74 0.240 11.427 -12.393 620 HH21 ARG 74 1HH2 ARG 74 3.062 12.146 -14.232 621 HH22 ARG 74 2HH2 ARG 74 1.346 11.764 -14.266 622 H GLY 75 H GLY 75 7.388 13.893 -9.158 623 HA2 GLY 75 HA2 GLY 75 5.755 14.211 -6.772 624 HA3 GLY 75 HA3 GLY 75 7.488 14.392 -6.467 625 H GLY 76 H GLY 76 7.626 16.593 -6.124 626 HA2 GLY 76 HA2 GLY 76 7.736 18.364 -8.357 627 HA3 GLY 76 HA3 GLY 76 6.337 18.739 -7.344 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -6.981 -10.334 8.664 2 H2 MET 1 H2 MET 1 -8.437 -10.188 7.890 3 H3 MET 1 H3 MET 1 -7.466 -8.901 7.985 4 HA MET 1 HA MET 1 -6.734 -11.332 6.488 5 HB2 MET 1 HB2 MET 1 -8.432 -10.568 5.178 6 HB3 MET 1 HB3 MET 1 -8.350 -8.951 5.788 7 HG2 MET 1 HG2 MET 1 -6.162 -8.727 4.342 8 HG3 MET 1 HG3 MET 1 -6.831 -10.140 3.517 9 HE1 MET 1 HE1 MET 1 -7.739 -9.150 1.071 10 HE2 MET 1 HE2 MET 1 -7.800 -7.378 0.978 11 HE3 MET 1 HE3 MET 1 -6.354 -8.183 1.628 12 H GLN 2 H GLN 2 -4.605 -11.440 5.940 13 HA GLN 2 HA GLN 2 -2.839 -9.126 6.520 14 HB2 GLN 2 HB2 GLN 2 -2.417 -12.000 5.820 15 HB3 GLN 2 HB3 GLN 2 -1.168 -10.883 5.355 16 HG2 GLN 2 HG2 GLN 2 -0.714 -10.153 7.536 17 HG3 GLN 2 HG3 GLN 2 -2.230 -10.792 8.175 18 HE21 GLN 2 1HE2 GLN 2 0.801 -11.323 8.833 19 HE22 GLN 2 2HE2 GLN 2 0.805 -13.067 8.902 20 H ILE 3 H ILE 3 -1.703 -7.936 5.081 21 HA ILE 3 HA ILE 3 -1.659 -8.611 2.230 22 HB ILE 3 HB ILE 3 -2.092 -6.356 1.432 23 HG12 ILE 3 2HG1 ILE 3 -2.972 -5.652 4.263 24 HG13 ILE 3 3HG1 ILE 3 -1.519 -5.063 3.435 25 HG21 ILE 3 1HG2 ILE 3 -3.908 -8.072 1.508 26 HG22 ILE 3 2HG2 ILE 3 -4.505 -7.307 2.999 27 HG23 ILE 3 3HG2 ILE 3 -4.486 -6.405 1.469 28 HD11 ILE 3 3HD1 ILE 3 -4.387 -4.428 2.653 29 HD12 ILE 3 1HD1 ILE 3 -3.190 -3.340 3.372 30 HD13 ILE 3 2HD1 ILE 3 -2.943 -3.952 1.724 31 H PHE 4 H PHE 4 0.055 -7.465 1.100 32 HA PHE 4 HA PHE 4 2.284 -6.681 2.894 33 HB2 PHE 4 HB2 PHE 4 2.386 -8.374 0.380 34 HB3 PHE 4 HB3 PHE 4 3.781 -7.852 1.307 35 HD1 PHE 4 HD1 PHE 4 4.019 -8.683 3.750 36 HD2 PHE 4 HD2 PHE 4 1.203 -10.349 0.939 37 HE1 PHE 4 HE1 PHE 4 3.865 -10.738 5.124 38 HE2 PHE 4 HE2 PHE 4 1.046 -12.403 2.322 39 HZ PHE 4 HZ PHE 4 2.362 -12.597 4.424 40 H VAL 5 H VAL 5 3.962 -5.338 1.986 41 HA VAL 5 HA VAL 5 3.319 -4.014 -0.583 42 HB VAL 5 HB VAL 5 4.449 -2.309 1.601 43 HG11 VAL 5 1HG1 VAL 5 4.798 -1.499 -0.676 44 HG12 VAL 5 2HG1 VAL 5 3.060 -1.669 -1.023 45 HG13 VAL 5 3HG1 VAL 5 3.640 -0.484 0.173 46 HG21 VAL 5 3HG2 VAL 5 2.256 -2.973 2.452 47 HG22 VAL 5 1HG2 VAL 5 2.212 -1.300 1.893 48 HG23 VAL 5 2HG2 VAL 5 1.511 -2.586 0.883 49 H LYS 6 H LYS 6 4.942 -3.558 -1.961 50 HA LYS 6 HA LYS 6 7.669 -4.625 -1.336 51 HB2 LYS 6 HB2 LYS 6 6.691 -5.747 -3.205 52 HB3 LYS 6 HB3 LYS 6 5.953 -4.274 -3.807 53 HG2 LYS 6 HG2 LYS 6 7.627 -4.873 -5.325 54 HG3 LYS 6 HG3 LYS 6 8.131 -3.397 -4.537 55 HD2 LYS 6 HD2 LYS 6 9.693 -4.766 -3.082 56 HD3 LYS 6 HD3 LYS 6 9.080 -6.249 -3.877 57 HE2 LYS 6 HE2 LYS 6 9.842 -5.227 -6.100 58 HE3 LYS 6 HE3 LYS 6 10.622 -3.959 -5.164 59 HZ1 LYS 6 HZ1 LYS 6 11.360 -6.835 -5.240 60 HZ2 LYS 6 HZ2 LYS 6 11.888 -5.840 -4.045 61 HZ3 LYS 6 HZ3 LYS 6 12.258 -5.561 -5.613 62 H THR 7 H THR 7 8.950 -2.973 -0.562 63 HA THR 7 HA THR 7 8.625 -0.309 -1.744 64 HB THR 7 HB THR 7 9.781 0.678 -0.113 65 HG1 THR 7 HG1 THR 7 11.325 -0.322 1.156 66 HG21 THR 7 1HG2 THR 7 9.177 -0.167 2.056 67 HG22 THR 7 2HG2 THR 7 8.969 -1.815 1.425 68 HG23 THR 7 3HG2 THR 7 7.844 -0.525 0.943 69 H LEU 8 H LEU 8 10.396 1.006 -2.424 70 HA LEU 8 HA LEU 8 12.054 -0.133 -4.494 71 HB2 LEU 8 HB2 LEU 8 11.934 2.550 -3.061 72 HB3 LEU 8 HB3 LEU 8 13.119 2.233 -4.329 73 HG LEU 8 HG LEU 8 10.162 1.798 -4.875 74 HD11 LEU 8 1HD1 LEU 8 11.711 4.400 -5.118 75 HD12 LEU 8 2HD1 LEU 8 10.322 4.076 -4.051 76 HD13 LEU 8 3HD1 LEU 8 10.109 4.085 -5.817 77 HD21 LEU 8 3HD2 LEU 8 11.828 0.926 -6.522 78 HD22 LEU 8 1HD2 LEU 8 12.517 2.556 -6.665 79 HD23 LEU 8 2HD2 LEU 8 10.852 2.237 -7.194 80 H THR 9 H THR 9 12.525 0.110 -1.060 81 HA THR 9 HA THR 9 15.383 -0.478 -1.230 82 HB THR 9 HB THR 9 14.091 -0.800 1.401 83 HG1 THR 9 HG1 THR 9 14.258 1.588 1.545 84 HG21 THR 9 1HG2 THR 9 16.037 0.501 2.131 85 HG22 THR 9 2HG2 THR 9 16.479 0.838 0.443 86 HG23 THR 9 3HG2 THR 9 16.561 -0.817 1.077 87 H GLY 10 H GLY 10 12.939 -2.347 -2.037 88 HA2 GLY 10 HA2 GLY 10 12.838 -4.621 -2.391 89 HA3 GLY 10 HA3 GLY 10 14.368 -4.833 -1.527 90 H LYS 11 H LYS 11 12.634 -3.225 0.731 91 HA LYS 11 HA LYS 11 12.163 -5.559 2.326 92 HB2 LYS 11 HB2 LYS 11 11.158 -2.711 2.688 93 HB3 LYS 11 HB3 LYS 11 10.980 -3.955 3.888 94 HG2 LYS 11 HG2 LYS 11 13.673 -3.043 2.814 95 HG3 LYS 11 HG3 LYS 11 12.897 -2.302 4.219 96 HD2 LYS 11 HD2 LYS 11 13.458 -5.300 4.219 97 HD3 LYS 11 HD3 LYS 11 14.728 -4.138 4.502 98 HE2 LYS 11 HE2 LYS 11 14.082 -4.676 6.636 99 HE3 LYS 11 HE3 LYS 11 13.320 -3.118 6.365 100 HZ1 LYS 11 HZ1 LYS 11 11.198 -4.294 6.049 101 HZ2 LYS 11 HZ2 LYS 11 11.881 -4.811 7.443 102 HZ3 LYS 11 HZ3 LYS 11 11.977 -5.765 6.163 103 H THR 12 H THR 12 10.584 -6.920 2.434 104 HA THR 12 HA THR 12 7.887 -6.429 1.431 105 HB THR 12 HB THR 12 8.805 -8.753 3.150 106 HG1 THR 12 HG1 THR 12 9.633 -9.651 1.442 107 HG21 THR 12 1HG2 THR 12 6.361 -8.574 2.841 108 HG22 THR 12 2HG2 THR 12 7.010 -9.944 1.932 109 HG23 THR 12 3HG2 THR 12 6.575 -8.446 1.079 110 H ILE 13 H ILE 13 6.704 -4.987 2.495 111 HA ILE 13 HA ILE 13 6.754 -4.746 5.453 112 HB ILE 13 HB ILE 13 4.944 -3.332 3.466 113 HG12 ILE 13 2HG1 ILE 13 7.145 -2.803 2.683 114 HG13 ILE 13 3HG1 ILE 13 6.487 -1.405 3.502 115 HG21 ILE 13 1HG2 ILE 13 4.120 -3.085 5.696 116 HG22 ILE 13 2HG2 ILE 13 5.733 -2.720 6.332 117 HG23 ILE 13 3HG2 ILE 13 4.900 -1.565 5.272 118 HD11 ILE 13 3HD1 ILE 13 8.559 -3.327 4.667 119 HD12 ILE 13 1HD1 ILE 13 8.860 -1.697 4.048 120 HD13 ILE 13 2HD1 ILE 13 7.883 -1.915 5.503 121 H THR 14 H THR 14 4.975 -5.317 6.785 122 HA THR 14 HA THR 14 2.809 -6.925 5.516 123 HB THR 14 HB THR 14 4.033 -7.694 8.156 124 HG1 THR 14 HG1 THR 14 5.572 -7.986 6.594 125 HG21 THR 14 1HG2 THR 14 1.795 -8.581 7.895 126 HG22 THR 14 2HG2 THR 14 2.949 -9.889 7.592 127 HG23 THR 14 3HG2 THR 14 2.132 -9.092 6.227 128 H LEU 15 H LEU 15 0.766 -6.628 6.090 129 HA LEU 15 HA LEU 15 0.144 -4.854 8.411 130 HB2 LEU 15 HB2 LEU 15 -0.994 -4.688 5.605 131 HB3 LEU 15 HB3 LEU 15 -1.547 -3.726 6.966 132 HG LEU 15 HG LEU 15 1.271 -3.593 5.841 133 HD11 LEU 15 1HD1 LEU 15 0.580 -1.535 4.719 134 HD12 LEU 15 2HD1 LEU 15 -1.085 -1.733 5.321 135 HD13 LEU 15 3HD1 LEU 15 -0.400 -2.891 4.157 136 HD21 LEU 15 3HD2 LEU 15 -0.242 -1.715 7.706 137 HD22 LEU 15 1HD2 LEU 15 1.392 -1.450 7.051 138 HD23 LEU 15 2HD2 LEU 15 1.108 -2.790 8.157 139 H GLU 16 H GLU 16 -2.006 -4.956 9.118 140 HA GLU 16 HA GLU 16 -3.583 -7.367 8.405 141 HB2 GLU 16 HB2 GLU 16 -2.979 -6.448 11.244 142 HB3 GLU 16 HB3 GLU 16 -4.161 -7.680 10.774 143 HG2 GLU 16 HG2 GLU 16 -2.281 -8.975 9.699 144 HG3 GLU 16 HG3 GLU 16 -1.134 -7.818 10.343 145 H VAL 17 H VAL 17 -5.483 -6.767 7.698 146 HA VAL 17 HA VAL 17 -7.053 -4.512 8.743 147 HB VAL 17 HB VAL 17 -7.398 -3.507 6.535 148 HG11 VAL 17 1HG1 VAL 17 -5.382 -2.261 6.263 149 HG12 VAL 17 2HG1 VAL 17 -5.589 -2.594 7.994 150 HG13 VAL 17 3HG1 VAL 17 -4.411 -3.524 7.050 151 HG21 VAL 17 3HG2 VAL 17 -5.206 -5.342 5.490 152 HG22 VAL 17 1HG2 VAL 17 -6.919 -5.391 5.033 153 HG23 VAL 17 2HG2 VAL 17 -5.936 -3.985 4.608 154 H GLU 18 H GLU 18 -9.290 -4.551 7.484 155 HA GLU 18 HA GLU 18 -9.903 -7.409 6.827 156 HB2 GLU 18 HB2 GLU 18 -11.612 -5.221 8.082 157 HB3 GLU 18 HB3 GLU 18 -12.308 -6.711 7.355 158 HG2 GLU 18 HG2 GLU 18 -11.253 -6.354 9.987 159 HG3 GLU 18 HG3 GLU 18 -12.151 -7.661 9.344 160 HA PRO 19 HA PRO 19 -10.725 -6.499 2.685 161 HB2 PRO 19 HB2 PRO 19 -12.738 -8.254 1.984 162 HB3 PRO 19 HB3 PRO 19 -11.053 -8.764 2.350 163 HG2 PRO 19 HG2 PRO 19 -13.435 -8.724 4.245 164 HG3 PRO 19 HG3 PRO 19 -12.298 -10.090 3.919 165 HD2 PRO 19 HD2 PRO 19 -11.944 -8.483 6.060 166 HD3 PRO 19 HD3 PRO 19 -10.538 -8.988 5.075 167 H SER 20 H SER 20 -13.221 -6.025 4.991 168 HA SER 20 HA SER 20 -15.086 -4.615 3.238 169 HB2 SER 20 HB2 SER 20 -15.840 -6.008 5.170 170 HB3 SER 20 HB3 SER 20 -15.013 -4.870 6.265 171 HG SER 20 HG SER 20 -16.372 -3.227 5.139 172 H ASP 21 H ASP 21 -12.096 -3.675 4.645 173 HA ASP 21 HA ASP 21 -12.877 -0.990 5.322 174 HB2 ASP 21 HB2 ASP 21 -10.210 -2.342 5.161 175 HB3 ASP 21 HB3 ASP 21 -10.315 -0.600 5.188 176 H THR 22 H THR 22 -12.620 0.922 4.398 177 HA THR 22 HA THR 22 -12.496 1.036 1.503 178 HB THR 22 HB THR 22 -12.995 3.324 1.623 179 HG1 THR 22 HG1 THR 22 -12.911 4.476 3.386 180 HG21 THR 22 1HG2 THR 22 -14.613 2.021 3.858 181 HG22 THR 22 2HG2 THR 22 -14.917 1.802 2.115 182 HG23 THR 22 3HG2 THR 22 -15.073 3.409 2.851 183 H ILE 23 H ILE 23 -11.099 2.389 0.299 184 HA ILE 23 HA ILE 23 -8.381 1.698 0.756 185 HB ILE 23 HB ILE 23 -9.706 3.662 -1.147 186 HG12 ILE 23 2HG1 ILE 23 -10.332 1.360 -1.601 187 HG13 ILE 23 3HG1 ILE 23 -9.311 1.984 -2.869 188 HG21 ILE 23 1HG2 ILE 23 -7.557 3.496 -2.485 189 HG22 ILE 23 2HG2 ILE 23 -7.498 4.470 -1.018 190 HG23 ILE 23 3HG2 ILE 23 -6.788 2.828 -1.023 191 HD11 ILE 23 3HD1 ILE 23 -8.749 -0.330 -2.388 192 HD12 ILE 23 1HD1 ILE 23 -7.378 0.691 -1.934 193 HD13 ILE 23 2HD1 ILE 23 -8.463 0.033 -0.682 194 H GLU 24 H GLU 24 -10.030 4.850 1.423 195 HA GLU 24 HA GLU 24 -7.685 6.197 2.328 196 HB2 GLU 24 HB2 GLU 24 -9.133 7.732 3.474 197 HB3 GLU 24 HB3 GLU 24 -9.621 7.509 1.825 198 HG2 GLU 24 HG2 GLU 24 -11.011 6.176 4.182 199 HG3 GLU 24 HG3 GLU 24 -11.435 7.757 3.558 200 H ASN 25 H ASN 25 -9.836 3.929 4.028 201 HA ASN 25 HA ASN 25 -8.843 4.524 6.672 202 HB2 ASN 25 HB2 ASN 25 -11.014 3.282 5.779 203 HB3 ASN 25 HB3 ASN 25 -10.006 1.835 5.819 204 HD21 ASN 25 1HD2 ASN 25 -12.365 3.265 7.582 205 HD22 ASN 25 2HD2 ASN 25 -11.752 2.846 9.170 206 H VAL 26 H VAL 26 -7.906 2.109 4.177 207 HA VAL 26 HA VAL 26 -5.669 1.044 5.666 208 HB VAL 26 HB VAL 26 -6.000 1.109 2.670 209 HG11 VAL 26 1HG1 VAL 26 -4.431 -0.778 4.495 210 HG12 VAL 26 2HG1 VAL 26 -4.634 -0.982 2.744 211 HG13 VAL 26 3HG1 VAL 26 -3.738 0.404 3.366 212 HG21 VAL 26 3HG2 VAL 26 -8.007 0.059 3.623 213 HG22 VAL 26 1HG2 VAL 26 -6.983 -1.194 2.952 214 HG23 VAL 26 2HG2 VAL 26 -7.018 -0.939 4.706 215 H LYS 27 H LYS 27 -5.872 3.754 3.301 216 HA LYS 27 HA LYS 27 -3.090 4.428 3.339 217 HB2 LYS 27 HB2 LYS 27 -5.629 5.984 2.754 218 HB3 LYS 27 HB3 LYS 27 -4.162 6.890 3.092 219 HG2 LYS 27 HG2 LYS 27 -4.084 6.895 0.851 220 HG3 LYS 27 HG3 LYS 27 -3.013 5.510 1.199 221 HD2 LYS 27 HD2 LYS 27 -4.813 3.991 0.628 222 HD3 LYS 27 HD3 LYS 27 -5.967 5.244 0.536 223 HE2 LYS 27 HE2 LYS 27 -3.504 5.193 -1.286 224 HE3 LYS 27 HE3 LYS 27 -5.018 4.338 -1.668 225 HZ1 LYS 27 HZ1 LYS 27 -5.084 6.406 -2.765 226 HZ2 LYS 27 HZ2 LYS 27 -4.901 7.171 -1.416 227 HZ3 LYS 27 HZ3 LYS 27 -6.346 6.436 -1.527 228 H ALA 28 H ALA 28 -5.497 4.938 5.800 229 HA ALA 28 HA ALA 28 -3.725 6.778 7.313 230 HB1 ALA 28 HB1 ALA 28 -6.182 7.070 7.343 231 HB2 ALA 28 HB2 ALA 28 -6.388 5.466 8.068 232 HB3 ALA 28 HB3 ALA 28 -5.546 6.747 8.965 233 H LYS 29 H LYS 29 -5.013 3.432 7.877 234 HA LYS 29 HA LYS 29 -3.513 2.878 10.239 235 HB2 LYS 29 HB2 LYS 29 -4.423 1.012 7.984 236 HB3 LYS 29 HB3 LYS 29 -3.719 0.457 9.486 237 HG2 LYS 29 HG2 LYS 29 -5.571 1.525 10.762 238 HG3 LYS 29 HG3 LYS 29 -6.341 1.979 9.227 239 HD2 LYS 29 HD2 LYS 29 -6.525 -0.411 8.590 240 HD3 LYS 29 HD3 LYS 29 -5.616 -0.879 10.034 241 HE2 LYS 29 HE2 LYS 29 -7.703 -1.303 10.817 242 HE3 LYS 29 HE3 LYS 29 -7.558 0.383 11.323 243 HZ1 LYS 29 HZ1 LYS 29 -9.673 0.003 10.238 244 HZ2 LYS 29 HZ2 LYS 29 -9.001 -0.599 8.892 245 HZ3 LYS 29 HZ3 LYS 29 -8.803 0.982 9.286 246 H ILE 30 H ILE 30 -2.290 2.705 6.883 247 HA ILE 30 HA ILE 30 0.030 1.203 7.536 248 HB ILE 30 HB ILE 30 -0.921 1.733 5.248 249 HG12 ILE 30 2HG1 ILE 30 2.072 2.052 5.622 250 HG13 ILE 30 3HG1 ILE 30 1.194 0.531 5.666 251 HG21 ILE 30 1HG2 ILE 30 0.791 4.219 5.359 252 HG22 ILE 30 2HG2 ILE 30 -0.261 3.681 4.037 253 HG23 ILE 30 3HG2 ILE 30 -0.972 4.227 5.555 254 HD11 ILE 30 3HD1 ILE 30 2.184 0.736 3.480 255 HD12 ILE 30 1HD1 ILE 30 0.430 0.922 3.299 256 HD13 ILE 30 2HD1 ILE 30 1.495 2.350 3.245 257 H GLN 31 H GLN 31 -0.548 4.641 8.230 258 HA GLN 31 HA GLN 31 2.324 5.285 8.380 259 HB2 GLN 31 HB2 GLN 31 -0.240 6.763 9.128 260 HB3 GLN 31 HB3 GLN 31 1.326 7.284 9.746 261 HG2 GLN 31 HG2 GLN 31 1.436 8.562 7.924 262 HG3 GLN 31 HG3 GLN 31 1.979 7.102 7.114 263 HE21 GLN 31 1HE2 GLN 31 0.689 6.400 5.332 264 HE22 GLN 31 2HE2 GLN 31 -0.996 6.917 5.164 265 H ASP 32 H ASP 32 -0.321 4.511 10.576 266 HA ASP 32 HA ASP 32 1.389 4.501 12.911 267 HB2 ASP 32 HB2 ASP 32 -1.510 4.393 12.301 268 HB3 ASP 32 HB3 ASP 32 -1.048 3.669 13.780 269 H LYS 33 H LYS 33 1.199 2.237 10.627 270 HA LYS 33 HA LYS 33 1.880 0.015 12.529 271 HB2 LYS 33 HB2 LYS 33 0.017 0.008 10.495 272 HB3 LYS 33 HB3 LYS 33 1.404 -0.651 9.662 273 HG2 LYS 33 HG2 LYS 33 0.158 -1.681 12.253 274 HG3 LYS 33 HG3 LYS 33 -0.138 -2.333 10.645 275 HD2 LYS 33 HD2 LYS 33 2.267 -3.001 10.480 276 HD3 LYS 33 HD3 LYS 33 2.511 -2.428 12.150 277 HE2 LYS 33 HE2 LYS 33 0.820 -3.992 12.990 278 HE3 LYS 33 HE3 LYS 33 0.440 -4.526 11.351 279 HZ1 LYS 33 HZ1 LYS 33 1.934 -6.051 12.490 280 HZ2 LYS 33 HZ2 LYS 33 3.053 -4.880 12.707 281 HZ3 LYS 33 HZ3 LYS 33 2.711 -5.387 11.185 282 H GLU 34 H GLU 34 3.062 1.572 9.471 283 HA GLU 34 HA GLU 34 5.802 0.757 10.265 284 HB2 GLU 34 HB2 GLU 34 4.656 -0.981 8.726 285 HB3 GLU 34 HB3 GLU 34 4.744 0.237 7.485 286 HG2 GLU 34 HG2 GLU 34 6.750 -0.489 6.960 287 HG3 GLU 34 HG3 GLU 34 7.383 0.194 8.441 288 H GLY 35 H GLY 35 4.117 3.400 9.850 289 HA2 GLY 35 HA2 GLY 35 4.766 5.555 9.479 290 HA3 GLY 35 HA3 GLY 35 6.416 4.936 9.418 291 H ILE 36 H ILE 36 3.857 4.199 6.968 292 HA ILE 36 HA ILE 36 5.585 5.531 4.922 293 HB ILE 36 HB ILE 36 3.407 3.456 4.712 294 HG12 ILE 36 2HG1 ILE 36 6.424 3.191 4.289 295 HG13 ILE 36 3HG1 ILE 36 5.604 2.726 5.759 296 HG21 ILE 36 1HG2 ILE 36 3.540 4.857 2.631 297 HG22 ILE 36 2HG2 ILE 36 5.253 4.392 2.483 298 HG23 ILE 36 3HG2 ILE 36 3.963 3.180 2.371 299 HD11 ILE 36 3HD1 ILE 36 5.185 1.413 3.069 300 HD12 ILE 36 1HD1 ILE 36 6.023 0.762 4.485 301 HD13 ILE 36 2HD1 ILE 36 4.274 1.040 4.558 302 HA PRO 37 HA PRO 37 2.090 8.533 5.081 303 HB2 PRO 37 HB2 PRO 37 3.413 10.888 5.009 304 HB3 PRO 37 HB3 PRO 37 3.451 9.845 6.465 305 HG2 PRO 37 HG2 PRO 37 5.509 9.985 4.229 306 HG3 PRO 37 HG3 PRO 37 5.793 10.124 5.994 307 HD2 PRO 37 HD2 PRO 37 6.088 7.741 4.682 308 HD3 PRO 37 HD3 PRO 37 5.411 7.865 6.343 309 HA PRO 38 HA PRO 38 1.490 9.171 0.758 310 HB2 PRO 38 HB2 PRO 38 -0.186 11.346 0.630 311 HB3 PRO 38 HB3 PRO 38 -0.701 9.734 1.209 312 HG2 PRO 38 HG2 PRO 38 0.212 12.126 2.869 313 HG3 PRO 38 HG3 PRO 38 -1.246 11.110 3.093 314 HD2 PRO 38 HD2 PRO 38 0.985 10.636 4.528 315 HD3 PRO 38 HD3 PRO 38 0.024 9.269 3.895 316 H ASP 39 H ASP 39 2.498 12.131 2.527 317 HA ASP 39 HA ASP 39 3.479 13.384 0.209 318 HB2 ASP 39 HB2 ASP 39 3.628 14.069 3.066 319 HB3 ASP 39 HB3 ASP 39 4.751 14.869 1.986 320 H GLN 40 H GLN 40 4.733 10.652 1.098 321 HA GLN 40 HA GLN 40 7.505 11.387 0.174 322 HB2 GLN 40 HB2 GLN 40 7.223 10.903 2.593 323 HB3 GLN 40 HB3 GLN 40 6.737 9.275 2.205 324 HG2 GLN 40 HG2 GLN 40 9.384 10.433 1.219 325 HG3 GLN 40 HG3 GLN 40 9.210 9.860 2.880 326 HE21 GLN 40 1HE2 GLN 40 11.119 8.655 1.340 327 HE22 GLN 40 2HE2 GLN 40 10.545 7.033 0.948 328 H ASN 41 H ASN 41 4.715 9.337 -0.463 329 HA ASN 41 HA ASN 41 6.134 7.872 -2.595 330 HB2 ASN 41 HB2 ASN 41 5.680 5.685 -1.375 331 HB3 ASN 41 HB3 ASN 41 6.848 6.691 -0.585 332 HD21 ASN 41 1HD2 ASN 41 6.500 7.081 1.539 333 HD22 ASN 41 2HD2 ASN 41 4.879 7.124 2.257 334 H ARG 42 H ARG 42 4.486 5.936 -3.335 335 HA ARG 42 HA ARG 42 1.641 6.553 -2.925 336 HB2 ARG 42 HB2 ARG 42 2.919 6.854 -5.669 337 HB3 ARG 42 HB3 ARG 42 1.236 6.407 -5.459 338 HG2 ARG 42 HG2 ARG 42 0.919 8.522 -4.059 339 HG3 ARG 42 HG3 ARG 42 2.533 9.031 -4.645 340 HD2 ARG 42 HD2 ARG 42 1.749 8.780 -6.978 341 HD3 ARG 42 HD3 ARG 42 0.169 8.228 -6.404 342 HE ARG 42 HE ARG 42 0.380 10.700 -5.231 343 HH11 ARG 42 1HH1 ARG 42 0.350 9.578 -8.536 344 HH12 ARG 42 2HH1 ARG 42 0.098 11.182 -9.180 345 HH21 ARG 42 1HH2 ARG 42 -0.314 12.604 -6.079 346 HH22 ARG 42 2HH2 ARG 42 -0.317 12.860 -7.799 347 H LEU 43 H LEU 43 0.558 4.719 -2.708 348 HA LEU 43 HA LEU 43 1.774 2.122 -3.170 349 HB2 LEU 43 HB2 LEU 43 -0.919 3.135 -2.197 350 HB3 LEU 43 HB3 LEU 43 -0.754 1.463 -2.655 351 HG LEU 43 HG LEU 43 -0.572 1.756 -0.262 352 HD11 LEU 43 1HD1 LEU 43 2.079 0.820 -1.431 353 HD12 LEU 43 2HD1 LEU 43 0.583 -0.126 -1.403 354 HD13 LEU 43 3HD1 LEU 43 1.346 0.355 0.116 355 HD21 LEU 43 3HD2 LEU 43 2.019 3.278 -0.762 356 HD22 LEU 43 1HD2 LEU 43 1.385 2.755 0.801 357 HD23 LEU 43 2HD2 LEU 43 0.508 3.966 -0.137 358 H ILE 44 H ILE 44 1.837 0.977 -4.953 359 HA ILE 44 HA ILE 44 -0.321 1.363 -7.048 360 HB ILE 44 HB ILE 44 2.473 0.247 -7.452 361 HG12 ILE 44 2HG1 ILE 44 2.707 2.568 -6.942 362 HG13 ILE 44 3HG1 ILE 44 3.029 2.296 -8.641 363 HG21 ILE 44 1HG2 ILE 44 0.994 -0.667 -9.130 364 HG22 ILE 44 2HG2 ILE 44 0.268 0.923 -9.453 365 HG23 ILE 44 3HG2 ILE 44 1.954 0.590 -9.892 366 HD11 ILE 44 3HD1 ILE 44 0.796 3.219 -9.240 367 HD12 ILE 44 1HD1 ILE 44 0.466 3.518 -7.520 368 HD13 ILE 44 2HD1 ILE 44 1.781 4.377 -8.332 369 H PHE 45 H PHE 45 -1.421 -0.429 -7.915 370 HA PHE 45 HA PHE 45 -0.492 -3.096 -7.099 371 HB2 PHE 45 HB2 PHE 45 -1.958 -2.772 -5.353 372 HB3 PHE 45 HB3 PHE 45 -3.184 -2.061 -6.387 373 HD1 PHE 45 HD2 PHE 45 -4.665 -3.428 -7.802 374 HD2 PHE 45 HD1 PHE 45 -1.760 -5.215 -5.162 375 HE1 PHE 45 HE2 PHE 45 -5.883 -5.589 -7.909 376 HE2 PHE 45 HE1 PHE 45 -2.990 -7.370 -5.272 377 HZ PHE 45 HZ PHE 45 -5.061 -7.556 -6.637 378 H ALA 46 H ALA 46 -0.138 -4.322 -8.729 379 HA ALA 46 HA ALA 46 0.036 -4.970 -10.899 380 HB1 ALA 46 HB1 ALA 46 -1.853 -6.288 -10.039 381 HB2 ALA 46 HB2 ALA 46 -2.989 -5.049 -10.627 382 HB3 ALA 46 HB3 ALA 46 -2.004 -5.975 -11.782 383 H GLY 47 H GLY 47 0.607 -2.405 -10.987 384 HA2 GLY 47 HA2 GLY 47 0.894 -0.699 -12.489 385 HA3 GLY 47 HA3 GLY 47 -0.259 -1.466 -13.572 386 H LYS 48 H LYS 48 -2.470 -1.354 -11.429 387 HA LYS 48 HA LYS 48 -3.277 1.414 -12.010 388 HB2 LYS 48 HB2 LYS 48 -4.718 -1.010 -10.953 389 HB3 LYS 48 HB3 LYS 48 -5.318 0.592 -10.464 390 HG2 LYS 48 HG2 LYS 48 -5.320 1.291 -12.871 391 HG3 LYS 48 HG3 LYS 48 -4.928 -0.352 -13.331 392 HD2 LYS 48 HD2 LYS 48 -7.076 -1.164 -12.535 393 HD3 LYS 48 HD3 LYS 48 -7.423 0.396 -11.743 394 HE2 LYS 48 HE2 LYS 48 -7.344 1.543 -13.949 395 HE3 LYS 48 HE3 LYS 48 -7.041 -0.003 -14.749 396 HZ1 LYS 48 HZ1 LYS 48 -9.358 0.709 -14.870 397 HZ2 LYS 48 HZ2 LYS 48 -9.550 0.657 -13.270 398 HZ3 LYS 48 HZ3 LYS 48 -9.259 -0.730 -14.113 399 H GLN 49 H GLN 49 -3.587 3.058 -10.740 400 HA GLN 49 HA GLN 49 -2.195 3.194 -8.136 401 HB2 GLN 49 HB2 GLN 49 -1.984 4.976 -9.849 402 HB3 GLN 49 HB3 GLN 49 -3.706 5.285 -9.774 403 HG2 GLN 49 HG2 GLN 49 -3.530 6.157 -7.512 404 HG3 GLN 49 HG3 GLN 49 -1.842 5.596 -7.387 405 HE21 GLN 49 1HE2 GLN 49 -3.902 7.855 -9.407 406 HE22 GLN 49 2HE2 GLN 49 -2.574 8.927 -9.730 407 H LEU 50 H LEU 50 -3.305 3.761 -6.170 408 HA LEU 50 HA LEU 50 -6.061 2.671 -6.050 409 HB2 LEU 50 HB2 LEU 50 -3.900 2.704 -3.942 410 HB3 LEU 50 HB3 LEU 50 -5.553 2.092 -3.724 411 HG LEU 50 HG LEU 50 -3.423 0.951 -5.623 412 HD11 LEU 50 1HD1 LEU 50 -3.554 -0.982 -4.117 413 HD12 LEU 50 2HD1 LEU 50 -4.755 -0.158 -3.102 414 HD13 LEU 50 3HD1 LEU 50 -3.093 0.474 -3.223 415 HD21 LEU 50 3HD2 LEU 50 -6.330 0.104 -5.137 416 HD22 LEU 50 1HD2 LEU 50 -5.112 -0.918 -5.919 417 HD23 LEU 50 2HD2 LEU 50 -5.578 0.591 -6.673 418 H GLU 51 H GLU 51 -7.629 4.091 -5.806 419 HA GLU 51 HA GLU 51 -7.076 6.669 -4.427 420 HB2 GLU 51 HB2 GLU 51 -7.858 6.030 -7.080 421 HB3 GLU 51 HB3 GLU 51 -9.284 6.754 -6.279 422 HG2 GLU 51 HG2 GLU 51 -7.871 8.655 -5.549 423 HG3 GLU 51 HG3 GLU 51 -6.450 7.910 -6.283 424 H ASP 52 H ASP 52 -8.707 7.679 -3.220 425 HA ASP 52 HA ASP 52 -10.054 5.801 -1.554 426 HB2 ASP 52 HB2 ASP 52 -10.610 8.034 -0.312 427 HB3 ASP 52 HB3 ASP 52 -9.059 7.229 -0.268 428 H GLY 53 H GLY 53 -12.076 6.090 -0.506 429 HA2 GLY 53 HA2 GLY 53 -14.358 6.416 -0.520 430 HA3 GLY 53 HA3 GLY 53 -14.329 6.921 -2.207 431 H ARG 54 H ARG 54 -12.645 4.245 -2.631 432 HA ARG 54 HA ARG 54 -14.977 2.350 -2.638 433 HB2 ARG 54 HB2 ARG 54 -12.405 2.233 -4.273 434 HB3 ARG 54 HB3 ARG 54 -13.755 1.091 -4.345 435 HG2 ARG 54 HG2 ARG 54 -15.209 3.238 -4.887 436 HG3 ARG 54 HG3 ARG 54 -13.642 3.952 -5.322 437 HD2 ARG 54 HD2 ARG 54 -13.239 1.957 -6.808 438 HD3 ARG 54 HD3 ARG 54 -14.871 1.393 -6.418 439 HE ARG 54 HE ARG 54 -15.627 3.685 -7.410 440 HH11 ARG 54 1HH1 ARG 54 -13.147 1.646 -8.783 441 HH12 ARG 54 2HH1 ARG 54 -13.288 2.393 -10.344 442 HH21 ARG 54 1HH2 ARG 54 -15.864 4.436 -9.344 443 HH22 ARG 54 2HH2 ARG 54 -14.882 3.907 -10.693 444 H THR 55 H THR 55 -14.048 -0.058 -2.616 445 HA THR 55 HA THR 55 -12.493 -0.352 -0.107 446 HB THR 55 HB THR 55 -13.619 -2.189 0.558 447 HG1 THR 55 HG1 THR 55 -15.070 -3.273 -0.948 448 HG21 THR 55 1HG2 THR 55 -15.989 -1.808 0.475 449 HG22 THR 55 2HG2 THR 55 -15.852 -0.813 -0.989 450 HG23 THR 55 3HG2 THR 55 -15.189 -0.232 0.558 451 H LEU 56 H LEU 56 -11.252 -2.299 0.252 452 HA LEU 56 HA LEU 56 -9.218 -2.866 -1.662 453 HB2 LEU 56 HB2 LEU 56 -10.448 -4.463 0.607 454 HB3 LEU 56 HB3 LEU 56 -8.992 -4.996 -0.224 455 HG LEU 56 HG LEU 56 -9.184 -2.377 1.342 456 HD11 LEU 56 1HD1 LEU 56 -9.345 -4.384 2.780 457 HD12 LEU 56 2HD1 LEU 56 -7.819 -3.541 3.019 458 HD13 LEU 56 3HD1 LEU 56 -7.862 -5.040 2.058 459 HD21 LEU 56 3HD2 LEU 56 -6.853 -3.855 0.026 460 HD22 LEU 56 1HD2 LEU 56 -6.664 -2.501 1.150 461 HD23 LEU 56 2HD2 LEU 56 -7.472 -2.240 -0.395 462 H SER 57 H SER 57 -12.262 -4.649 -0.981 463 HA SER 57 HA SER 57 -11.708 -6.810 -2.781 464 HB2 SER 57 HB2 SER 57 -13.359 -6.868 -0.901 465 HB3 SER 57 HB3 SER 57 -14.423 -5.811 -1.851 466 HG SER 57 HG SER 57 -14.253 -7.483 -3.536 467 H ASP 58 H ASP 58 -13.060 -3.595 -3.372 468 HA ASP 58 HA ASP 58 -14.358 -4.363 -5.873 469 HB2 ASP 58 HB2 ASP 58 -14.693 -2.248 -4.373 470 HB3 ASP 58 HB3 ASP 58 -13.325 -1.575 -5.198 471 H TYR 59 H TYR 59 -11.130 -3.176 -4.983 472 HA TYR 59 HA TYR 59 -10.096 -3.199 -7.697 473 HB2 TYR 59 HB2 TYR 59 -8.907 -2.713 -4.995 474 HB3 TYR 59 HB3 TYR 59 -7.857 -3.078 -6.344 475 HD1 TYR 59 HD2 TYR 59 -7.729 -1.616 -8.340 476 HD2 TYR 59 HD1 TYR 59 -9.876 -0.491 -4.775 477 HE1 TYR 59 HE2 TYR 59 -7.415 0.785 -8.911 478 HE2 TYR 59 HE1 TYR 59 -9.565 1.923 -5.360 479 HH TYR 59 HH TYR 59 -7.450 2.919 -8.033 480 H ASN 60 H ASN 60 -11.047 -5.781 -5.957 481 HA ASN 60 HA ASN 60 -10.607 -7.950 -5.787 482 HB2 ASN 60 HB2 ASN 60 -10.630 -7.661 -8.314 483 HB3 ASN 60 HB3 ASN 60 -8.874 -7.781 -8.260 484 HD21 ASN 60 1HD2 ASN 60 -9.855 -9.575 -9.812 485 HD22 ASN 60 2HD2 ASN 60 -10.077 -11.135 -9.043 486 H ILE 61 H ILE 61 -8.957 -6.179 -4.257 487 HA ILE 61 HA ILE 61 -6.297 -7.410 -4.065 488 HB ILE 61 HB ILE 61 -7.620 -5.462 -2.146 489 HG12 ILE 61 2HG1 ILE 61 -5.889 -4.957 -4.601 490 HG13 ILE 61 3HG1 ILE 61 -7.554 -4.487 -4.384 491 HG21 ILE 61 1HG2 ILE 61 -5.327 -5.031 -1.392 492 HG22 ILE 61 2HG2 ILE 61 -5.654 -6.753 -1.257 493 HG23 ILE 61 3HG2 ILE 61 -4.687 -6.140 -2.621 494 HD11 ILE 61 3HD1 ILE 61 -6.891 -2.932 -2.567 495 HD12 ILE 61 1HD1 ILE 61 -5.183 -3.316 -2.902 496 HD13 ILE 61 2HD1 ILE 61 -6.180 -2.547 -4.140 497 H GLN 62 H GLN 62 -6.794 -9.553 -3.815 498 HA GLN 62 HA GLN 62 -8.428 -10.689 -1.731 499 HB2 GLN 62 HB2 GLN 62 -7.497 -12.814 -2.455 500 HB3 GLN 62 HB3 GLN 62 -7.869 -11.811 -3.843 501 HG2 GLN 62 HG2 GLN 62 -5.255 -11.146 -3.578 502 HG3 GLN 62 HG3 GLN 62 -5.188 -12.703 -2.769 503 HE21 GLN 62 1HE2 GLN 62 -6.768 -11.346 -5.795 504 HE22 GLN 62 2HE2 GLN 62 -6.192 -12.687 -6.777 505 H LYS 63 H LYS 63 -7.605 -12.162 0.063 506 HA LYS 63 HA LYS 63 -5.694 -10.809 1.749 507 HB2 LYS 63 HB2 LYS 63 -6.106 -12.539 3.353 508 HB3 LYS 63 HB3 LYS 63 -7.626 -12.174 2.560 509 HG2 LYS 63 HG2 LYS 63 -7.809 -14.403 2.377 510 HG3 LYS 63 HG3 LYS 63 -6.826 -14.209 0.950 511 HD2 LYS 63 HD2 LYS 63 -4.816 -14.536 2.749 512 HD3 LYS 63 HD3 LYS 63 -6.126 -15.273 3.696 513 HE2 LYS 63 HE2 LYS 63 -5.244 -17.102 2.535 514 HE3 LYS 63 HE3 LYS 63 -6.634 -16.648 1.543 515 HZ1 LYS 63 HZ1 LYS 63 -4.770 -16.948 0.100 516 HZ2 LYS 63 HZ2 LYS 63 -3.773 -16.095 1.067 517 HZ3 LYS 63 HZ3 LYS 63 -4.913 -15.288 0.225 518 H GLU 64 H GLU 64 -3.651 -11.194 2.228 519 HA GLU 64 HA GLU 64 -1.487 -11.529 1.846 520 HB2 GLU 64 HB2 GLU 64 -2.275 -14.178 0.633 521 HB3 GLU 64 HB3 GLU 64 -0.602 -13.668 0.883 522 HG2 GLU 64 HG2 GLU 64 -0.718 -13.723 3.195 523 HG3 GLU 64 HG3 GLU 64 -2.445 -13.485 3.258 524 H SER 65 H SER 65 -3.333 -10.239 -0.277 525 HA SER 65 HA SER 65 -1.889 -10.136 -2.714 526 HB2 SER 65 HB2 SER 65 -3.352 -7.960 -1.188 527 HB3 SER 65 HB3 SER 65 -2.579 -7.681 -2.753 528 HG SER 65 HG SER 65 -4.692 -9.397 -2.114 529 H THR 66 H THR 66 -0.009 -9.294 -3.371 530 HA THR 66 HA THR 66 1.554 -7.565 -1.508 531 HB THR 66 HB THR 66 2.620 -8.989 -3.952 532 HG1 THR 66 HG1 THR 66 1.859 -10.277 -2.066 533 HG21 THR 66 1HG2 THR 66 4.016 -7.625 -1.595 534 HG22 THR 66 2HG2 THR 66 3.978 -7.041 -3.277 535 HG23 THR 66 3HG2 THR 66 4.813 -8.550 -2.887 536 H LEU 67 H LEU 67 1.056 -5.567 -1.712 537 HA LEU 67 HA LEU 67 0.480 -4.281 -4.301 538 HB2 LEU 67 HB2 LEU 67 0.921 -3.163 -1.483 539 HB3 LEU 67 HB3 LEU 67 0.518 -2.228 -2.924 540 HG LEU 67 HG LEU 67 -1.550 -3.884 -3.091 541 HD11 LEU 67 1HD1 LEU 67 -0.965 -3.949 -0.101 542 HD12 LEU 67 2HD1 LEU 67 -1.045 -5.353 -1.177 543 HD13 LEU 67 3HD1 LEU 67 -2.504 -4.416 -0.862 544 HD21 LEU 67 3HD2 LEU 67 -2.879 -2.255 -1.839 545 HD22 LEU 67 1HD2 LEU 67 -1.613 -1.424 -2.756 546 HD23 LEU 67 2HD2 LEU 67 -1.422 -1.665 -1.006 547 H HIS 68 H HIS 68 1.846 -2.649 -5.190 548 HA HIS 68 HA HIS 68 4.764 -2.730 -4.521 549 HB2 HIS 68 HB2 HIS 68 3.358 -1.832 -7.052 550 HB3 HIS 68 HB3 HIS 68 5.017 -1.534 -6.690 551 HD1 HIS 68 HD1 HIS 68 3.292 -5.024 -6.465 552 HD2 HIS 68 HD2 HIS 68 6.510 -2.921 -8.195 553 HE1 HIS 68 HE1 HIS 68 4.693 -6.751 -7.738 554 H LEU 69 H LEU 69 5.821 -0.929 -4.654 555 HA LEU 69 HA LEU 69 4.169 1.415 -3.938 556 HB2 LEU 69 HB2 LEU 69 5.453 0.389 -2.059 557 HB3 LEU 69 HB3 LEU 69 6.914 0.712 -2.967 558 HG LEU 69 HG LEU 69 6.623 3.111 -2.671 559 HD11 LEU 69 1HD1 LEU 69 4.107 2.189 -1.226 560 HD12 LEU 69 2HD1 LEU 69 4.229 3.374 -2.540 561 HD13 LEU 69 3HD1 LEU 69 4.818 3.765 -0.924 562 HD21 LEU 69 3HD2 LEU 69 7.893 1.855 -1.036 563 HD22 LEU 69 1HD2 LEU 69 6.411 1.507 -0.111 564 HD23 LEU 69 2HD2 LEU 69 7.013 3.170 -0.256 565 H VAL 70 H VAL 70 4.808 3.389 -4.634 566 HA VAL 70 HA VAL 70 7.553 3.508 -5.694 567 HB VAL 70 HB VAL 70 5.788 5.761 -6.538 568 HG11 VAL 70 1HG1 VAL 70 8.016 4.228 -7.964 569 HG12 VAL 70 2HG1 VAL 70 7.229 5.702 -8.537 570 HG13 VAL 70 3HG1 VAL 70 8.275 5.793 -7.152 571 HG21 VAL 70 3HG2 VAL 70 5.602 3.097 -7.955 572 HG22 VAL 70 1HG2 VAL 70 4.313 4.102 -7.223 573 HG23 VAL 70 2HG2 VAL 70 5.150 4.677 -8.651 574 H LEU 71 H LEU 71 8.586 5.526 -5.517 575 HA LEU 71 HA LEU 71 8.088 7.277 -3.308 576 HB2 LEU 71 HB2 LEU 71 9.871 7.070 -5.571 577 HB3 LEU 71 HB3 LEU 71 9.282 8.666 -5.561 578 HG LEU 71 HG LEU 71 11.485 8.030 -4.411 579 HD11 LEU 71 1HD1 LEU 71 9.566 9.824 -2.906 580 HD12 LEU 71 2HD1 LEU 71 10.606 10.263 -4.289 581 HD13 LEU 71 3HD1 LEU 71 11.325 9.800 -2.748 582 HD21 LEU 71 3HD2 LEU 71 11.531 7.417 -2.125 583 HD22 LEU 71 1HD2 LEU 71 10.563 6.196 -2.967 584 HD23 LEU 71 2HD2 LEU 71 9.771 7.451 -1.976 585 H ARG 72 H ARG 72 7.724 9.513 -3.469 586 HA ARG 72 HA ARG 72 5.864 10.415 -5.564 587 HB2 ARG 72 HB2 ARG 72 7.307 12.020 -3.419 588 HB3 ARG 72 HB3 ARG 72 6.395 12.729 -4.764 589 HG2 ARG 72 HG2 ARG 72 4.499 11.022 -3.870 590 HG3 ARG 72 HG3 ARG 72 5.359 11.264 -2.368 591 HD2 ARG 72 HD2 ARG 72 4.207 13.487 -4.123 592 HD3 ARG 72 HD3 ARG 72 3.407 12.765 -2.716 593 HE ARG 72 HE ARG 72 5.966 13.764 -1.919 594 HH11 ARG 72 1HH1 ARG 72 2.641 14.914 -2.468 595 HH12 ARG 72 2HH1 ARG 72 2.839 16.028 -1.129 596 HH21 ARG 72 1HH2 ARG 72 5.932 15.210 -0.305 597 HH22 ARG 72 2HH2 ARG 72 4.569 16.263 -0.112 598 H LEU 73 H LEU 73 9.118 11.819 -4.980 599 HA LEU 73 HA LEU 73 9.954 11.092 -7.678 600 HB2 LEU 73 HB2 LEU 73 8.374 13.040 -8.072 601 HB3 LEU 73 HB3 LEU 73 9.453 14.044 -7.116 602 HG LEU 73 HG LEU 73 11.289 13.495 -8.823 603 HD11 LEU 73 1HD1 LEU 73 10.258 11.484 -9.860 604 HD12 LEU 73 2HD1 LEU 73 10.516 12.756 -11.060 605 HD13 LEU 73 3HD1 LEU 73 8.894 12.473 -10.410 606 HD21 LEU 73 3HD2 LEU 73 8.796 14.925 -9.819 607 HD22 LEU 73 1HD2 LEU 73 10.429 15.093 -10.478 608 HD23 LEU 73 2HD2 LEU 73 10.090 15.638 -8.832 609 H ARG 74 H ARG 74 10.631 13.327 -4.970 610 HA ARG 74 HA ARG 74 13.420 12.416 -4.763 611 HB2 ARG 74 HB2 ARG 74 12.562 15.283 -5.313 612 HB3 ARG 74 HB3 ARG 74 14.044 14.945 -4.459 613 HG2 ARG 74 HG2 ARG 74 13.480 14.023 -7.308 614 HG3 ARG 74 HG3 ARG 74 14.368 15.458 -6.833 615 HD2 ARG 74 HD2 ARG 74 16.086 13.988 -7.269 616 HD3 ARG 74 HD3 ARG 74 15.945 13.904 -5.509 617 HE ARG 74 HE ARG 74 14.574 11.901 -7.283 618 HH11 ARG 74 1HH1 ARG 74 16.903 12.356 -4.625 619 HH12 ARG 74 2HH1 ARG 74 16.951 10.609 -4.382 620 HH21 ARG 74 1HH2 ARG 74 15.064 9.732 -7.012 621 HH22 ARG 74 2HH2 ARG 74 16.022 9.278 -5.587 622 H GLY 75 H GLY 75 14.407 13.010 -2.745 623 HA2 GLY 75 HA2 GLY 75 14.161 14.154 -0.544 624 HA3 GLY 75 HA3 GLY 75 12.503 13.577 -0.511 625 H GLY 76 H GLY 76 13.785 12.964 1.629 626 HA2 GLY 76 HA2 GLY 76 13.724 10.966 2.927 627 HA3 GLY 76 HA3 GLY 76 14.219 10.026 1.517 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -7.813 -13.473 7.631 2 H2 MET 1 H2 MET 1 -9.169 -13.154 6.792 3 H3 MET 1 H3 MET 1 -8.254 -11.907 7.339 4 HA MET 1 HA MET 1 -7.370 -13.895 5.338 5 HB2 MET 1 HB2 MET 1 -8.103 -10.975 4.848 6 HB3 MET 1 HB3 MET 1 -7.453 -12.129 3.678 7 HG2 MET 1 HG2 MET 1 -10.128 -12.238 5.087 8 HG3 MET 1 HG3 MET 1 -9.844 -11.983 3.367 9 HE1 MET 1 HE1 MET 1 -11.679 -14.183 5.231 10 HE2 MET 1 HE2 MET 1 -11.961 -14.022 3.479 11 HE3 MET 1 HE3 MET 1 -11.621 -15.614 4.182 12 H GLN 2 H GLN 2 -5.323 -14.310 5.884 13 HA GLN 2 HA GLN 2 -3.455 -12.178 6.645 14 HB2 GLN 2 HB2 GLN 2 -3.335 -14.487 7.505 15 HB3 GLN 2 HB3 GLN 2 -3.037 -15.096 5.876 16 HG2 GLN 2 HG2 GLN 2 -0.873 -14.023 5.794 17 HG3 GLN 2 HG3 GLN 2 -1.228 -13.064 7.232 18 HE21 GLN 2 1HE2 GLN 2 0.820 -13.989 8.166 19 HE22 GLN 2 2HE2 GLN 2 0.704 -15.577 8.898 20 H ILE 3 H ILE 3 -2.082 -11.111 5.235 21 HA ILE 3 HA ILE 3 -1.865 -11.894 2.388 22 HB ILE 3 HB ILE 3 -2.379 -9.693 1.547 23 HG12 ILE 3 2HG1 ILE 3 -3.159 -8.891 4.383 24 HG13 ILE 3 3HG1 ILE 3 -1.745 -8.331 3.482 25 HG21 ILE 3 1HG2 ILE 3 -4.772 -9.743 1.658 26 HG22 ILE 3 2HG2 ILE 3 -4.196 -11.405 1.737 27 HG23 ILE 3 3HG2 ILE 3 -4.753 -10.590 3.221 28 HD11 ILE 3 3HD1 ILE 3 -4.637 -7.726 2.780 29 HD12 ILE 3 1HD1 ILE 3 -3.420 -6.612 3.423 30 HD13 ILE 3 2HD1 ILE 3 -3.225 -7.278 1.788 31 H PHE 4 H PHE 4 -0.163 -10.553 1.268 32 HA PHE 4 HA PHE 4 2.027 -9.957 3.193 33 HB2 PHE 4 HB2 PHE 4 2.135 -11.670 0.707 34 HB3 PHE 4 HB3 PHE 4 3.536 -11.168 1.639 35 HD1 PHE 4 HD1 PHE 4 3.441 -11.734 4.262 36 HD2 PHE 4 HD2 PHE 4 1.160 -13.751 1.208 37 HE1 PHE 4 HE1 PHE 4 3.113 -13.664 5.783 38 HE2 PHE 4 HE2 PHE 4 0.838 -15.685 2.726 39 HZ PHE 4 HZ PHE 4 1.784 -15.638 5.026 40 H VAL 5 H VAL 5 3.694 -8.503 2.634 41 HA VAL 5 HA VAL 5 3.348 -7.080 0.037 42 HB VAL 5 HB VAL 5 4.333 -5.612 2.463 43 HG11 VAL 5 1HG1 VAL 5 3.760 -3.627 1.099 44 HG12 VAL 5 2HG1 VAL 5 4.989 -4.623 0.321 45 HG13 VAL 5 3HG1 VAL 5 3.303 -4.689 -0.253 46 HG21 VAL 5 3HG2 VAL 5 2.114 -4.511 2.556 47 HG22 VAL 5 1HG2 VAL 5 1.499 -5.678 1.364 48 HG23 VAL 5 2HG2 VAL 5 2.026 -6.224 2.970 49 H LYS 6 H LYS 6 5.042 -6.725 -1.231 50 HA LYS 6 HA LYS 6 7.674 -7.937 -0.506 51 HB2 LYS 6 HB2 LYS 6 6.830 -8.846 -2.543 52 HB3 LYS 6 HB3 LYS 6 6.103 -7.338 -3.007 53 HG2 LYS 6 HG2 LYS 6 7.668 -7.422 -4.569 54 HG3 LYS 6 HG3 LYS 6 8.523 -6.440 -3.417 55 HD2 LYS 6 HD2 LYS 6 8.813 -9.414 -4.051 56 HD3 LYS 6 HD3 LYS 6 9.997 -8.144 -4.366 57 HE2 LYS 6 HE2 LYS 6 10.445 -7.906 -1.965 58 HE3 LYS 6 HE3 LYS 6 9.164 -9.070 -1.581 59 HZ1 LYS 6 HZ1 LYS 6 11.633 -9.691 -3.110 60 HZ2 LYS 6 HZ2 LYS 6 10.424 -10.763 -2.792 61 HZ3 LYS 6 HZ3 LYS 6 11.309 -10.142 -1.558 62 H THR 7 H THR 7 9.086 -6.486 0.395 63 HA THR 7 HA THR 7 8.961 -3.691 -0.522 64 HB THR 7 HB THR 7 10.067 -2.939 1.267 65 HG1 THR 7 HG1 THR 7 11.452 -4.238 2.534 66 HG21 THR 7 1HG2 THR 7 9.332 -3.971 3.309 67 HG22 THR 7 2HG2 THR 7 9.078 -5.535 2.503 68 HG23 THR 7 3HG2 THR 7 8.036 -4.144 2.114 69 H LEU 8 H LEU 8 10.935 -2.460 -0.902 70 HA LEU 8 HA LEU 8 12.306 -3.281 -3.229 71 HB2 LEU 8 HB2 LEU 8 12.959 -1.175 -1.108 72 HB3 LEU 8 HB3 LEU 8 13.866 -1.353 -2.592 73 HG LEU 8 HG LEU 8 12.370 0.501 -2.742 74 HD11 LEU 8 1HD1 LEU 8 11.371 -1.706 -4.584 75 HD12 LEU 8 2HD1 LEU 8 12.872 -0.778 -4.802 76 HD13 LEU 8 3HD1 LEU 8 11.309 0.042 -4.868 77 HD21 LEU 8 3HD2 LEU 8 9.976 -1.358 -2.568 78 HD22 LEU 8 1HD2 LEU 8 10.001 0.395 -2.741 79 HD23 LEU 8 2HD2 LEU 8 10.558 -0.316 -1.227 80 H THR 9 H THR 9 13.326 -3.486 0.178 81 HA THR 9 HA THR 9 15.907 -4.571 -0.402 82 HB THR 9 HB THR 9 14.831 -4.927 2.333 83 HG1 THR 9 HG1 THR 9 15.418 -2.568 2.521 84 HG21 THR 9 1HG2 THR 9 17.230 -5.303 1.812 85 HG22 THR 9 2HG2 THR 9 17.007 -3.970 2.951 86 HG23 THR 9 3HG2 THR 9 17.367 -3.629 1.242 87 H GLY 10 H GLY 10 13.260 -6.102 -1.102 88 HA2 GLY 10 HA2 GLY 10 13.032 -8.310 -1.740 89 HA3 GLY 10 HA3 GLY 10 14.440 -8.770 -0.779 90 H LYS 11 H LYS 11 12.886 -7.200 1.527 91 HA LYS 11 HA LYS 11 12.036 -9.496 2.930 92 HB2 LYS 11 HB2 LYS 11 11.324 -6.572 3.393 93 HB3 LYS 11 HB3 LYS 11 11.014 -7.844 4.556 94 HG2 LYS 11 HG2 LYS 11 13.824 -7.243 3.546 95 HG3 LYS 11 HG3 LYS 11 13.112 -6.368 4.889 96 HD2 LYS 11 HD2 LYS 11 13.299 -9.401 4.888 97 HD3 LYS 11 HD3 LYS 11 14.631 -8.394 5.431 98 HE2 LYS 11 HE2 LYS 11 11.834 -8.084 6.605 99 HE3 LYS 11 HE3 LYS 11 12.956 -9.307 7.197 100 HZ1 LYS 11 HZ1 LYS 11 14.521 -7.539 7.761 101 HZ2 LYS 11 HZ2 LYS 11 13.081 -7.297 8.499 102 HZ3 LYS 11 HZ3 LYS 11 13.521 -6.375 7.235 103 H THR 12 H THR 12 10.209 -10.524 3.325 104 HA THR 12 HA THR 12 7.669 -9.685 2.095 105 HB THR 12 HB THR 12 7.989 -12.243 3.620 106 HG1 THR 12 HG1 THR 12 8.631 -13.267 1.829 107 HG21 THR 12 1HG2 THR 12 6.253 -11.433 1.251 108 HG22 THR 12 2HG2 THR 12 5.715 -11.568 2.943 109 HG23 THR 12 3HG2 THR 12 6.243 -13.010 2.067 110 H ILE 13 H ILE 13 6.337 -8.411 3.240 111 HA ILE 13 HA ILE 13 6.439 -8.450 6.217 112 HB ILE 13 HB ILE 13 4.799 -6.638 4.451 113 HG12 ILE 13 2HG1 ILE 13 7.054 -6.282 3.681 114 HG13 ILE 13 3HG1 ILE 13 6.517 -4.919 4.624 115 HG21 ILE 13 1HG2 ILE 13 4.074 -6.634 6.763 116 HG22 ILE 13 2HG2 ILE 13 5.731 -6.346 7.329 117 HG23 ILE 13 3HG2 ILE 13 4.870 -5.107 6.394 118 HD11 ILE 13 3HD1 ILE 13 7.842 -5.789 6.590 119 HD12 ILE 13 1HD1 ILE 13 8.425 -7.118 5.566 120 HD13 ILE 13 2HD1 ILE 13 8.846 -5.443 5.178 121 H THR 14 H THR 14 4.874 -9.305 7.424 122 HA THR 14 HA THR 14 2.507 -10.555 6.204 123 HB THR 14 HB THR 14 3.307 -10.650 9.114 124 HG1 THR 14 HG1 THR 14 4.480 -12.399 8.657 125 HG21 THR 14 1HG2 THR 14 1.039 -11.468 8.700 126 HG22 THR 14 2HG2 THR 14 2.120 -12.827 9.040 127 HG23 THR 14 3HG2 THR 14 1.625 -12.477 7.354 128 H LEU 15 H LEU 15 0.475 -9.799 6.241 129 HA LEU 15 HA LEU 15 -0.349 -7.958 8.433 130 HB2 LEU 15 HB2 LEU 15 -0.965 -7.651 5.480 131 HB3 LEU 15 HB3 LEU 15 -1.765 -6.727 6.748 132 HG LEU 15 HG LEU 15 1.230 -6.644 6.225 133 HD11 LEU 15 1HD1 LEU 15 -0.907 -4.653 5.371 134 HD12 LEU 15 2HD1 LEU 15 -0.087 -5.804 4.293 135 HD13 LEU 15 3HD1 LEU 15 0.850 -4.536 5.091 136 HD21 LEU 15 3HD2 LEU 15 -0.575 -4.795 7.849 137 HD22 LEU 15 1HD2 LEU 15 1.166 -4.566 7.544 138 HD23 LEU 15 2HD2 LEU 15 0.624 -5.937 8.505 139 H GLU 16 H GLU 16 -2.589 -7.927 8.850 140 HA GLU 16 HA GLU 16 -4.161 -10.298 8.051 141 HB2 GLU 16 HB2 GLU 16 -4.582 -10.817 10.445 142 HB3 GLU 16 HB3 GLU 16 -2.953 -11.128 9.867 143 HG2 GLU 16 HG2 GLU 16 -2.469 -8.709 10.925 144 HG3 GLU 16 HG3 GLU 16 -3.895 -9.091 11.870 145 H VAL 17 H VAL 17 -6.133 -9.766 7.540 146 HA VAL 17 HA VAL 17 -7.595 -7.411 8.624 147 HB VAL 17 HB VAL 17 -7.964 -6.642 6.246 148 HG11 VAL 17 1HG1 VAL 17 -5.952 -5.355 6.043 149 HG12 VAL 17 2HG1 VAL 17 -6.373 -5.500 7.755 150 HG13 VAL 17 3HG1 VAL 17 -5.051 -6.479 7.082 151 HG21 VAL 17 3HG2 VAL 17 -5.599 -8.430 5.553 152 HG22 VAL 17 1HG2 VAL 17 -7.279 -8.648 5.008 153 HG23 VAL 17 2HG2 VAL 17 -6.360 -7.225 4.504 154 H GLU 18 H GLU 18 -9.803 -7.260 7.570 155 HA GLU 18 HA GLU 18 -11.028 -9.960 7.334 156 HB2 GLU 18 HB2 GLU 18 -11.816 -7.387 8.468 157 HB3 GLU 18 HB3 GLU 18 -12.986 -7.876 7.262 158 HG2 GLU 18 HG2 GLU 18 -13.521 -8.582 9.601 159 HG3 GLU 18 HG3 GLU 18 -13.541 -9.865 8.412 160 HA PRO 19 HA PRO 19 -11.442 -9.538 2.910 161 HB2 PRO 19 HB2 PRO 19 -13.630 -11.049 2.301 162 HB3 PRO 19 HB3 PRO 19 -12.128 -11.767 2.944 163 HG2 PRO 19 HG2 PRO 19 -14.632 -10.997 4.480 164 HG3 PRO 19 HG3 PRO 19 -13.748 -12.553 4.535 165 HD2 PRO 19 HD2 PRO 19 -13.361 -10.586 6.380 166 HD3 PRO 19 HD3 PRO 19 -12.014 -11.620 5.844 167 H SER 20 H SER 20 -13.737 -8.112 4.961 168 HA SER 20 HA SER 20 -15.182 -6.725 2.744 169 HB2 SER 20 HB2 SER 20 -15.653 -6.699 5.748 170 HB3 SER 20 HB3 SER 20 -16.581 -5.776 4.552 171 HG SER 20 HG SER 20 -16.307 -8.602 4.582 172 H ASP 21 H ASP 21 -12.270 -6.284 4.464 173 HA ASP 21 HA ASP 21 -12.587 -3.609 5.259 174 HB2 ASP 21 HB2 ASP 21 -10.132 -5.289 4.826 175 HB3 ASP 21 HB3 ASP 21 -10.023 -3.581 5.210 176 H THR 22 H THR 22 -12.521 -1.715 4.458 177 HA THR 22 HA THR 22 -12.245 -1.271 1.654 178 HB THR 22 HB THR 22 -12.755 0.897 1.860 179 HG1 THR 22 HG1 THR 22 -12.417 2.115 3.787 180 HG21 THR 22 1HG2 THR 22 -13.887 -0.104 4.506 181 HG22 THR 22 2HG2 THR 22 -14.575 -0.465 2.906 182 HG23 THR 22 3HG2 THR 22 -14.509 1.210 3.486 183 H ILE 23 H ILE 23 -10.688 -0.193 0.418 184 HA ILE 23 HA ILE 23 -8.029 -0.968 1.030 185 HB ILE 23 HB ILE 23 -9.196 0.925 -1.036 186 HG12 ILE 23 2HG1 ILE 23 -9.805 -1.380 -1.437 187 HG13 ILE 23 3HG1 ILE 23 -8.637 -0.876 -2.631 188 HG21 ILE 23 1HG2 ILE 23 -7.004 0.698 -2.247 189 HG22 ILE 23 2HG2 ILE 23 -6.971 1.706 -0.809 190 HG23 ILE 23 3HG2 ILE 23 -6.309 0.038 -0.748 191 HD11 ILE 23 3HD1 ILE 23 -8.168 -3.143 -1.984 192 HD12 ILE 23 1HD1 ILE 23 -6.852 -2.138 -1.367 193 HD13 ILE 23 2HD1 ILE 23 -8.126 -2.733 -0.269 194 H GLU 24 H GLU 24 -9.709 1.924 2.058 195 HA GLU 24 HA GLU 24 -7.309 3.366 2.906 196 HB2 GLU 24 HB2 GLU 24 -9.392 4.591 2.549 197 HB3 GLU 24 HB3 GLU 24 -10.201 3.623 3.794 198 HG2 GLU 24 HG2 GLU 24 -8.565 4.476 5.494 199 HG3 GLU 24 HG3 GLU 24 -7.814 5.471 4.249 200 H ASN 25 H ASN 25 -9.613 1.099 4.555 201 HA ASN 25 HA ASN 25 -8.393 1.335 7.125 202 HB2 ASN 25 HB2 ASN 25 -10.560 -0.109 5.954 203 HB3 ASN 25 HB3 ASN 25 -9.524 -1.327 6.677 204 HD21 ASN 25 1HD2 ASN 25 -12.217 0.117 7.407 205 HD22 ASN 25 2HD2 ASN 25 -11.956 0.443 9.118 206 H VAL 26 H VAL 26 -7.722 -0.916 4.433 207 HA VAL 26 HA VAL 26 -5.527 -2.270 5.708 208 HB VAL 26 HB VAL 26 -5.802 -1.769 2.744 209 HG11 VAL 26 1HG1 VAL 26 -4.630 -3.956 2.552 210 HG12 VAL 26 2HG1 VAL 26 -3.642 -2.777 3.425 211 HG13 VAL 26 3HG1 VAL 26 -4.508 -4.042 4.322 212 HG21 VAL 26 3HG2 VAL 26 -7.019 -3.929 2.615 213 HG22 VAL 26 1HG2 VAL 26 -7.069 -4.007 4.389 214 HG23 VAL 26 2HG2 VAL 26 -7.939 -2.741 3.513 215 H LYS 27 H LYS 27 -5.572 0.711 3.683 216 HA LYS 27 HA LYS 27 -2.729 1.175 3.831 217 HB2 LYS 27 HB2 LYS 27 -5.076 2.573 2.732 218 HB3 LYS 27 HB3 LYS 27 -4.098 3.690 3.639 219 HG2 LYS 27 HG2 LYS 27 -3.181 3.823 1.495 220 HG3 LYS 27 HG3 LYS 27 -2.064 2.820 2.407 221 HD2 LYS 27 HD2 LYS 27 -2.243 1.717 0.337 222 HD3 LYS 27 HD3 LYS 27 -3.270 0.781 1.419 223 HE2 LYS 27 HE2 LYS 27 -4.426 1.009 -0.652 224 HE3 LYS 27 HE3 LYS 27 -5.269 2.000 0.537 225 HZ1 LYS 27 HZ1 LYS 27 -4.891 3.028 -1.721 226 HZ2 LYS 27 HZ2 LYS 27 -3.319 3.137 -1.381 227 HZ3 LYS 27 HZ3 LYS 27 -4.384 3.971 -0.463 228 H ALA 28 H ALA 28 -5.219 1.728 6.185 229 HA ALA 28 HA ALA 28 -3.491 3.457 7.839 230 HB1 ALA 28 HB1 ALA 28 -6.156 2.104 8.476 231 HB2 ALA 28 HB2 ALA 28 -5.354 3.370 9.425 232 HB3 ALA 28 HB3 ALA 28 -5.952 3.729 7.790 233 H LYS 29 H LYS 29 -4.837 0.124 8.219 234 HA LYS 29 HA LYS 29 -3.478 -0.570 10.574 235 HB2 LYS 29 HB2 LYS 29 -4.516 -2.227 8.247 236 HB3 LYS 29 HB3 LYS 29 -3.718 -2.987 9.632 237 HG2 LYS 29 HG2 LYS 29 -5.315 -2.032 11.188 238 HG3 LYS 29 HG3 LYS 29 -6.118 -1.140 9.883 239 HD2 LYS 29 HD2 LYS 29 -6.963 -3.124 8.877 240 HD3 LYS 29 HD3 LYS 29 -5.878 -4.176 9.788 241 HE2 LYS 29 HE2 LYS 29 -8.113 -2.534 11.056 242 HE3 LYS 29 HE3 LYS 29 -8.292 -4.212 10.526 243 HZ1 LYS 29 HZ1 LYS 29 -6.406 -3.266 12.617 244 HZ2 LYS 29 HZ2 LYS 29 -6.482 -4.813 12.067 245 HZ3 LYS 29 HZ3 LYS 29 -7.722 -4.186 12.887 246 H ILE 30 H ILE 30 -2.109 -0.640 7.331 247 HA ILE 30 HA ILE 30 0.226 -2.146 7.973 248 HB ILE 30 HB ILE 30 -0.621 -1.496 5.685 249 HG12 ILE 30 2HG1 ILE 30 2.336 -0.968 6.165 250 HG13 ILE 30 3HG1 ILE 30 1.597 -2.565 6.179 251 HG21 ILE 30 1HG2 ILE 30 0.968 1.058 6.022 252 HG22 ILE 30 2HG2 ILE 30 -0.041 0.562 4.649 253 HG23 ILE 30 3HG2 ILE 30 -0.798 0.978 6.186 254 HD11 ILE 30 3HD1 ILE 30 1.750 -0.692 3.787 255 HD12 ILE 30 1HD1 ILE 30 2.551 -2.259 3.996 256 HD13 ILE 30 2HD1 ILE 30 0.791 -2.194 3.820 257 H GLN 31 H GLN 31 -0.462 1.296 8.707 258 HA GLN 31 HA GLN 31 2.335 1.799 9.401 259 HB2 GLN 31 HB2 GLN 31 -0.185 3.446 9.801 260 HB3 GLN 31 HB3 GLN 31 1.385 3.891 10.448 261 HG2 GLN 31 HG2 GLN 31 1.756 4.982 8.540 262 HG3 GLN 31 HG3 GLN 31 2.099 3.410 7.840 263 HE21 GLN 31 1HE2 GLN 31 1.038 3.188 5.847 264 HE22 GLN 31 2HE2 GLN 31 -0.629 3.751 5.631 265 H ASP 32 H ASP 32 -0.597 0.829 11.166 266 HA ASP 32 HA ASP 32 0.516 1.054 13.827 267 HB2 ASP 32 HB2 ASP 32 -1.971 0.692 12.795 268 HB3 ASP 32 HB3 ASP 32 -1.594 -0.993 13.105 269 H LYS 33 H LYS 33 0.228 -1.680 11.468 270 HA LYS 33 HA LYS 33 1.523 -3.573 13.219 271 HB2 LYS 33 HB2 LYS 33 -0.167 -3.726 11.041 272 HB3 LYS 33 HB3 LYS 33 1.340 -4.242 10.309 273 HG2 LYS 33 HG2 LYS 33 -0.000 -5.451 12.775 274 HG3 LYS 33 HG3 LYS 33 -0.081 -6.088 11.134 275 HD2 LYS 33 HD2 LYS 33 2.461 -6.345 11.211 276 HD3 LYS 33 HD3 LYS 33 2.364 -6.014 12.951 277 HE2 LYS 33 HE2 LYS 33 0.860 -8.222 11.478 278 HE3 LYS 33 HE3 LYS 33 2.372 -8.473 12.351 279 HZ1 LYS 33 HZ1 LYS 33 0.114 -8.932 13.486 280 HZ2 LYS 33 HZ2 LYS 33 0.024 -7.346 13.741 281 HZ3 LYS 33 HZ3 LYS 33 1.290 -8.198 14.390 282 H GLU 34 H GLU 34 2.843 -1.753 10.433 283 HA GLU 34 HA GLU 34 5.571 -2.770 11.178 284 HB2 GLU 34 HB2 GLU 34 4.609 -4.072 9.275 285 HB3 GLU 34 HB3 GLU 34 4.412 -2.574 8.385 286 HG2 GLU 34 HG2 GLU 34 6.313 -3.613 7.518 287 HG3 GLU 34 HG3 GLU 34 6.912 -2.249 8.426 288 H GLY 35 H GLY 35 3.681 -0.098 9.798 289 HA2 GLY 35 HA2 GLY 35 4.260 2.174 10.233 290 HA3 GLY 35 HA3 GLY 35 5.915 1.705 10.553 291 H ILE 36 H ILE 36 3.990 0.964 7.611 292 HA ILE 36 HA ILE 36 5.989 2.393 5.911 293 HB ILE 36 HB ILE 36 3.834 0.375 5.228 294 HG12 ILE 36 2HG1 ILE 36 6.866 0.053 5.318 295 HG13 ILE 36 3HG1 ILE 36 5.750 -0.574 6.528 296 HG21 ILE 36 1HG2 ILE 36 4.671 0.292 2.982 297 HG22 ILE 36 2HG2 ILE 36 4.365 1.984 3.328 298 HG23 ILE 36 3HG2 ILE 36 6.029 1.360 3.383 299 HD11 ILE 36 3HD1 ILE 36 6.415 -2.370 5.085 300 HD12 ILE 36 1HD1 ILE 36 4.696 -2.036 4.826 301 HD13 ILE 36 2HD1 ILE 36 5.907 -1.495 3.635 302 HA PRO 37 HA PRO 37 2.452 5.322 5.842 303 HB2 PRO 37 HB2 PRO 37 3.727 7.707 5.877 304 HB3 PRO 37 HB3 PRO 37 3.661 6.645 7.317 305 HG2 PRO 37 HG2 PRO 37 5.883 6.850 5.257 306 HG3 PRO 37 HG3 PRO 37 6.030 6.962 7.040 307 HD2 PRO 37 HD2 PRO 37 6.470 4.611 5.728 308 HD3 PRO 37 HD3 PRO 37 5.655 4.687 7.320 309 HA PRO 38 HA PRO 38 2.149 6.256 1.492 310 HB2 PRO 38 HB2 PRO 38 0.310 8.280 1.422 311 HB3 PRO 38 HB3 PRO 38 -0.104 6.605 1.903 312 HG2 PRO 38 HG2 PRO 38 0.582 8.946 3.722 313 HG3 PRO 38 HG3 PRO 38 -0.841 7.854 3.817 314 HD2 PRO 38 HD2 PRO 38 1.373 7.433 5.322 315 HD3 PRO 38 HD3 PRO 38 0.476 6.058 4.611 316 H ASP 39 H ASP 39 3.206 8.782 3.719 317 HA ASP 39 HA ASP 39 3.979 10.855 2.022 318 HB2 ASP 39 HB2 ASP 39 5.545 9.854 4.434 319 HB3 ASP 39 HB3 ASP 39 5.502 11.491 3.799 320 H GLN 40 H GLN 40 5.483 7.731 2.476 321 HA GLN 40 HA GLN 40 8.045 8.587 1.173 322 HB2 GLN 40 HB2 GLN 40 8.164 8.674 3.546 323 HB3 GLN 40 HB3 GLN 40 7.460 7.082 3.724 324 HG2 GLN 40 HG2 GLN 40 10.080 7.334 2.235 325 HG3 GLN 40 HG3 GLN 40 10.072 7.530 3.984 326 HE21 GLN 40 1HE2 GLN 40 10.722 5.210 1.811 327 HE22 GLN 40 2HE2 GLN 40 9.955 3.830 2.610 328 H ASN 41 H ASN 41 5.566 6.155 1.133 329 HA ASN 41 HA ASN 41 6.825 4.882 -1.143 330 HB2 ASN 41 HB2 ASN 41 6.365 2.552 0.182 331 HB3 ASN 41 HB3 ASN 41 7.900 3.292 -0.091 332 HD21 ASN 41 1HD2 ASN 41 5.783 4.512 2.618 333 HD22 ASN 41 2HD2 ASN 41 7.091 4.051 3.710 334 H ARG 42 H ARG 42 5.223 2.916 -1.914 335 HA ARG 42 HA ARG 42 2.389 3.456 -1.257 336 HB2 ARG 42 HB2 ARG 42 3.660 4.194 -3.915 337 HB3 ARG 42 HB3 ARG 42 1.969 3.699 -3.827 338 HG2 ARG 42 HG2 ARG 42 1.518 5.495 -2.175 339 HG3 ARG 42 HG3 ARG 42 3.187 6.071 -2.353 340 HD2 ARG 42 HD2 ARG 42 2.847 6.625 -4.666 341 HD3 ARG 42 HD3 ARG 42 1.274 5.813 -4.702 342 HE ARG 42 HE ARG 42 0.581 7.536 -2.937 343 HH11 ARG 42 1HH1 ARG 42 2.372 8.314 -5.840 344 HH12 ARG 42 2HH1 ARG 42 1.895 9.993 -5.743 345 HH21 ARG 42 1HH2 ARG 42 -0.002 9.677 -2.964 346 HH22 ARG 42 2HH2 ARG 42 0.742 10.730 -4.138 347 H LEU 43 H LEU 43 1.094 1.718 -1.505 348 HA LEU 43 HA LEU 43 2.251 -0.861 -2.204 349 HB2 LEU 43 HB2 LEU 43 -0.314 0.179 -1.062 350 HB3 LEU 43 HB3 LEU 43 -0.460 -1.288 -2.016 351 HG LEU 43 HG LEU 43 1.139 -2.473 -0.641 352 HD11 LEU 43 1HD1 LEU 43 2.596 -0.573 0.065 353 HD12 LEU 43 2HD1 LEU 43 2.046 -1.549 1.423 354 HD13 LEU 43 3HD1 LEU 43 1.292 0.030 1.105 355 HD21 LEU 43 3HD2 LEU 43 -1.291 -2.352 0.010 356 HD22 LEU 43 1HD2 LEU 43 -0.896 -1.022 1.115 357 HD23 LEU 43 2HD2 LEU 43 -0.205 -2.637 1.379 358 H ILE 44 H ILE 44 2.305 -1.893 -4.039 359 HA ILE 44 HA ILE 44 0.327 -1.212 -6.234 360 HB ILE 44 HB ILE 44 3.098 -2.418 -6.479 361 HG12 ILE 44 2HG1 ILE 44 3.315 -0.103 -5.856 362 HG13 ILE 44 3HG1 ILE 44 3.846 -0.371 -7.507 363 HG21 ILE 44 1HG2 ILE 44 1.750 -3.245 -8.305 364 HG22 ILE 44 2HG2 ILE 44 1.112 -1.620 -8.645 365 HG23 ILE 44 3HG2 ILE 44 2.820 -1.996 -8.935 366 HD11 ILE 44 3HD1 ILE 44 2.609 1.740 -7.279 367 HD12 ILE 44 1HD1 ILE 44 1.751 0.638 -8.368 368 HD13 ILE 44 2HD1 ILE 44 1.185 0.865 -6.696 369 H PHE 45 H PHE 45 -0.839 -2.907 -7.261 370 HA PHE 45 HA PHE 45 0.045 -5.640 -6.667 371 HB2 PHE 45 HB2 PHE 45 -1.447 -5.470 -4.902 372 HB3 PHE 45 HB3 PHE 45 -2.674 -4.718 -5.904 373 HD1 PHE 45 HD2 PHE 45 -4.123 -6.016 -7.408 374 HD2 PHE 45 HD1 PHE 45 -1.104 -7.922 -4.982 375 HE1 PHE 45 HE2 PHE 45 -5.190 -8.222 -7.793 376 HE2 PHE 45 HE1 PHE 45 -2.177 -10.116 -5.367 377 HZ PHE 45 HZ PHE 45 -4.244 -10.267 -6.762 378 H ALA 46 H ALA 46 0.072 -7.040 -8.263 379 HA ALA 46 HA ALA 46 0.155 -7.695 -10.435 380 HB1 ALA 46 HB1 ALA 46 -2.824 -7.172 -10.196 381 HB2 ALA 46 HB2 ALA 46 -2.029 -8.329 -11.285 382 HB3 ALA 46 HB3 ALA 46 -1.959 -8.577 -9.531 383 H GLY 47 H GLY 47 0.847 -4.925 -10.341 384 HA2 GLY 47 HA2 GLY 47 1.508 -3.376 -11.954 385 HA3 GLY 47 HA3 GLY 47 0.487 -4.171 -13.152 386 H LYS 48 H LYS 48 -1.609 -3.670 -10.644 387 HA LYS 48 HA LYS 48 -2.405 -0.934 -11.519 388 HB2 LYS 48 HB2 LYS 48 -3.943 -3.209 -10.239 389 HB3 LYS 48 HB3 LYS 48 -4.522 -1.546 -10.173 390 HG2 LYS 48 HG2 LYS 48 -4.520 -1.385 -12.625 391 HG3 LYS 48 HG3 LYS 48 -3.919 -3.046 -12.763 392 HD2 LYS 48 HD2 LYS 48 -5.961 -3.958 -11.861 393 HD3 LYS 48 HD3 LYS 48 -6.488 -2.376 -11.287 394 HE2 LYS 48 HE2 LYS 48 -7.832 -2.881 -13.174 395 HE3 LYS 48 HE3 LYS 48 -6.740 -1.581 -13.629 396 HZ1 LYS 48 HZ1 LYS 48 -6.416 -4.446 -14.382 397 HZ2 LYS 48 HZ2 LYS 48 -5.380 -3.221 -14.831 398 HZ3 LYS 48 HZ3 LYS 48 -6.937 -3.266 -15.345 399 H GLN 49 H GLN 49 -2.731 0.694 -10.096 400 HA GLN 49 HA GLN 49 -1.511 0.559 -7.389 401 HB2 GLN 49 HB2 GLN 49 -1.697 2.570 -9.311 402 HB3 GLN 49 HB3 GLN 49 -3.050 2.982 -8.276 403 HG2 GLN 49 HG2 GLN 49 -0.197 2.528 -7.267 404 HG3 GLN 49 HG3 GLN 49 -0.790 4.083 -7.821 405 HE21 GLN 49 1HE2 GLN 49 -0.857 1.819 -5.042 406 HE22 GLN 49 2HE2 GLN 49 -1.954 2.876 -4.142 407 H LEU 50 H LEU 50 -3.023 1.448 -5.609 408 HA LEU 50 HA LEU 50 -5.779 0.300 -5.841 409 HB2 LEU 50 HB2 LEU 50 -3.869 0.024 -3.494 410 HB3 LEU 50 HB3 LEU 50 -5.512 -0.610 -3.589 411 HG LEU 50 HG LEU 50 -3.182 -1.531 -5.343 412 HD11 LEU 50 1HD1 LEU 50 -2.860 -2.119 -2.983 413 HD12 LEU 50 2HD1 LEU 50 -3.258 -3.552 -3.934 414 HD13 LEU 50 3HD1 LEU 50 -4.497 -2.811 -2.915 415 HD21 LEU 50 3HD2 LEU 50 -5.960 -2.716 -4.934 416 HD22 LEU 50 1HD2 LEU 50 -4.666 -3.412 -5.924 417 HD23 LEU 50 2HD2 LEU 50 -5.413 -1.893 -6.407 418 H GLU 51 H GLU 51 -6.946 2.139 -5.938 419 HA GLU 51 HA GLU 51 -6.385 4.450 -4.212 420 HB2 GLU 51 HB2 GLU 51 -7.047 4.414 -6.725 421 HB3 GLU 51 HB3 GLU 51 -8.698 4.146 -6.139 422 HG2 GLU 51 HG2 GLU 51 -8.463 6.272 -4.783 423 HG3 GLU 51 HG3 GLU 51 -6.867 6.508 -5.481 424 H ASP 52 H ASP 52 -8.266 5.498 -3.087 425 HA ASP 52 HA ASP 52 -9.449 3.792 -1.118 426 HB2 ASP 52 HB2 ASP 52 -10.630 5.983 -0.472 427 HB3 ASP 52 HB3 ASP 52 -8.878 5.908 -0.399 428 H GLY 53 H GLY 53 -11.827 4.102 -0.468 429 HA2 GLY 53 HA2 GLY 53 -14.052 3.646 -0.839 430 HA3 GLY 53 HA3 GLY 53 -13.834 4.320 -2.452 431 H ARG 54 H ARG 54 -11.715 1.820 -2.429 432 HA ARG 54 HA ARG 54 -13.621 -0.218 -3.489 433 HB2 ARG 54 HB2 ARG 54 -10.589 0.004 -3.624 434 HB3 ARG 54 HB3 ARG 54 -11.556 -1.168 -4.516 435 HG2 ARG 54 HG2 ARG 54 -11.923 1.839 -4.989 436 HG3 ARG 54 HG3 ARG 54 -10.577 0.985 -5.692 437 HD2 ARG 54 HD2 ARG 54 -12.415 1.179 -7.270 438 HD3 ARG 54 HD3 ARG 54 -12.023 -0.502 -6.905 439 HE ARG 54 HE ARG 54 -14.263 0.877 -5.466 440 HH11 ARG 54 1HH1 ARG 54 -13.391 -1.685 -7.724 441 HH12 ARG 54 2HH1 ARG 54 -14.704 -2.694 -7.119 442 HH21 ARG 54 1HH2 ARG 54 -15.978 -0.523 -4.926 443 HH22 ARG 54 2HH2 ARG 54 -15.977 -2.106 -5.653 444 H THR 55 H THR 55 -13.172 -2.507 -2.917 445 HA THR 55 HA THR 55 -12.042 -2.870 -0.175 446 HB THR 55 HB THR 55 -13.354 -4.773 0.130 447 HG1 THR 55 HG1 THR 55 -14.382 -4.499 -2.466 448 HG21 THR 55 1HG2 THR 55 -14.625 -2.609 0.346 449 HG22 THR 55 2HG2 THR 55 -15.617 -4.032 0.006 450 HG23 THR 55 3HG2 THR 55 -15.271 -2.872 -1.288 451 H LEU 56 H LEU 56 -11.167 -5.159 0.201 452 HA LEU 56 HA LEU 56 -8.920 -5.784 -1.496 453 HB2 LEU 56 HB2 LEU 56 -10.490 -7.290 0.611 454 HB3 LEU 56 HB3 LEU 56 -9.047 -7.981 -0.126 455 HG LEU 56 HG LEU 56 -8.943 -5.271 1.264 456 HD11 LEU 56 1HD1 LEU 56 -8.396 -8.002 2.500 457 HD12 LEU 56 2HD1 LEU 56 -9.790 -6.953 2.859 458 HD13 LEU 56 3HD1 LEU 56 -8.167 -6.407 3.268 459 HD21 LEU 56 3HD2 LEU 56 -6.536 -5.890 1.502 460 HD22 LEU 56 1HD2 LEU 56 -7.030 -5.825 -0.197 461 HD23 LEU 56 2HD2 LEU 56 -6.844 -7.394 0.621 462 H SER 57 H SER 57 -12.033 -7.540 -1.053 463 HA SER 57 HA SER 57 -11.752 -9.458 -3.082 464 HB2 SER 57 HB2 SER 57 -13.552 -9.495 -1.417 465 HB3 SER 57 HB3 SER 57 -14.278 -8.045 -2.138 466 HG SER 57 HG SER 57 -15.322 -9.905 -2.915 467 H ASP 58 H ASP 58 -12.853 -6.089 -3.406 468 HA ASP 58 HA ASP 58 -13.673 -6.132 -6.120 469 HB2 ASP 58 HB2 ASP 58 -12.490 -3.992 -4.351 470 HB3 ASP 58 HB3 ASP 58 -12.781 -3.678 -6.034 471 H TYR 59 H TYR 59 -10.418 -5.786 -4.867 472 HA TYR 59 HA TYR 59 -9.333 -5.671 -7.587 473 HB2 TYR 59 HB2 TYR 59 -8.128 -5.083 -4.917 474 HB3 TYR 59 HB3 TYR 59 -7.117 -5.360 -6.325 475 HD1 TYR 59 HD2 TYR 59 -7.728 -4.015 -8.510 476 HD2 TYR 59 HD1 TYR 59 -8.810 -2.865 -4.496 477 HE1 TYR 59 HE2 TYR 59 -7.928 -1.634 -9.242 478 HE2 TYR 59 HE1 TYR 59 -8.885 -0.470 -5.216 479 HH TYR 59 HH TYR 59 -8.569 0.440 -8.662 480 H ASN 60 H ASN 60 -10.507 -8.161 -6.181 481 HA ASN 60 HA ASN 60 -10.152 -10.372 -6.053 482 HB2 ASN 60 HB2 ASN 60 -9.686 -9.946 -8.546 483 HB3 ASN 60 HB3 ASN 60 -7.974 -10.116 -8.159 484 HD21 ASN 60 1HD2 ASN 60 -11.123 -11.842 -7.945 485 HD22 ASN 60 2HD2 ASN 60 -10.374 -13.419 -8.187 486 H ILE 61 H ILE 61 -8.531 -8.560 -4.281 487 HA ILE 61 HA ILE 61 -6.014 -9.998 -3.822 488 HB ILE 61 HB ILE 61 -7.318 -7.862 -2.105 489 HG12 ILE 61 2HG1 ILE 61 -5.241 -7.618 -4.333 490 HG13 ILE 61 3HG1 ILE 61 -6.898 -7.038 -4.399 491 HG21 ILE 61 1HG2 ILE 61 -4.429 -8.843 -2.242 492 HG22 ILE 61 2HG2 ILE 61 -5.079 -7.627 -1.125 493 HG23 ILE 61 3HG2 ILE 61 -5.588 -9.303 -0.973 494 HD11 ILE 61 3HD1 ILE 61 -6.423 -5.443 -2.549 495 HD12 ILE 61 1HD1 ILE 61 -4.709 -5.936 -2.615 496 HD13 ILE 61 2HD1 ILE 61 -5.465 -5.169 -4.017 497 H GLN 62 H GLN 62 -6.254 -12.006 -3.215 498 HA GLN 62 HA GLN 62 -8.444 -12.828 -1.381 499 HB2 GLN 62 HB2 GLN 62 -8.221 -15.034 -2.351 500 HB3 GLN 62 HB3 GLN 62 -8.434 -13.819 -3.590 501 HG2 GLN 62 HG2 GLN 62 -5.666 -14.014 -3.503 502 HG3 GLN 62 HG3 GLN 62 -6.141 -15.648 -3.086 503 HE21 GLN 62 1HE2 GLN 62 -7.015 -13.042 -5.530 504 HE22 GLN 62 2HE2 GLN 62 -7.271 -14.183 -6.806 505 H LYS 63 H LYS 63 -7.651 -15.081 -0.259 506 HA LYS 63 HA LYS 63 -5.892 -14.225 1.847 507 HB2 LYS 63 HB2 LYS 63 -6.429 -16.219 2.912 508 HB3 LYS 63 HB3 LYS 63 -7.823 -15.925 1.905 509 HG2 LYS 63 HG2 LYS 63 -6.391 -17.470 0.156 510 HG3 LYS 63 HG3 LYS 63 -5.730 -18.058 1.676 511 HD2 LYS 63 HD2 LYS 63 -7.461 -19.539 1.212 512 HD3 LYS 63 HD3 LYS 63 -8.255 -18.426 2.343 513 HE2 LYS 63 HE2 LYS 63 -9.282 -17.211 0.450 514 HE3 LYS 63 HE3 LYS 63 -8.323 -18.153 -0.701 515 HZ1 LYS 63 HZ1 LYS 63 -10.470 -19.051 -0.663 516 HZ2 LYS 63 HZ2 LYS 63 -10.519 -19.210 0.985 517 HZ3 LYS 63 HZ3 LYS 63 -9.526 -20.154 0.067 518 H GLU 64 H GLU 64 -3.816 -14.646 2.295 519 HA GLU 64 HA GLU 64 -1.636 -14.661 1.875 520 HB2 GLU 64 HB2 GLU 64 -2.119 -17.186 0.269 521 HB3 GLU 64 HB3 GLU 64 -0.556 -16.532 0.738 522 HG2 GLU 64 HG2 GLU 64 -1.515 -16.614 3.183 523 HG3 GLU 64 HG3 GLU 64 -2.684 -17.745 2.506 524 H SER 65 H SER 65 -3.485 -13.246 -0.282 525 HA SER 65 HA SER 65 -1.916 -13.137 -2.630 526 HB2 SER 65 HB2 SER 65 -3.872 -11.241 -1.373 527 HB3 SER 65 HB3 SER 65 -2.809 -10.614 -2.631 528 HG SER 65 HG SER 65 -3.518 -12.225 -4.033 529 H THR 66 H THR 66 0.080 -12.543 -3.020 530 HA THR 66 HA THR 66 1.501 -10.660 -1.376 531 HB THR 66 HB THR 66 2.677 -11.624 -3.934 532 HG1 THR 66 HG1 THR 66 3.302 -13.391 -2.204 533 HG21 THR 66 1HG2 THR 66 3.798 -11.315 -1.119 534 HG22 THR 66 2HG2 THR 66 3.969 -10.126 -2.430 535 HG23 THR 66 3HG2 THR 66 4.708 -11.728 -2.590 536 H LEU 67 H LEU 67 1.113 -8.603 -1.399 537 HA LEU 67 HA LEU 67 0.745 -7.071 -3.895 538 HB2 LEU 67 HB2 LEU 67 1.047 -6.189 -0.987 539 HB3 LEU 67 HB3 LEU 67 0.777 -5.135 -2.369 540 HG LEU 67 HG LEU 67 -1.346 -6.723 -2.768 541 HD11 LEU 67 1HD1 LEU 67 -0.978 -8.246 -0.856 542 HD12 LEU 67 2HD1 LEU 67 -2.439 -7.294 -0.617 543 HD13 LEU 67 3HD1 LEU 67 -0.947 -6.871 0.257 544 HD21 LEU 67 3HD2 LEU 67 -1.368 -4.275 -2.385 545 HD22 LEU 67 1HD2 LEU 67 -1.238 -4.563 -0.631 546 HD23 LEU 67 2HD2 LEU 67 -2.687 -5.082 -1.519 547 H HIS 68 H HIS 68 2.224 -5.415 -4.525 548 HA HIS 68 HA HIS 68 5.095 -5.695 -3.730 549 HB2 HIS 68 HB2 HIS 68 3.858 -4.452 -6.192 550 HB3 HIS 68 HB3 HIS 68 5.535 -4.342 -5.741 551 HD1 HIS 68 HD1 HIS 68 3.455 -7.634 -6.077 552 HD2 HIS 68 HD2 HIS 68 6.845 -5.603 -7.513 553 HE1 HIS 68 HE1 HIS 68 4.583 -9.196 -7.763 554 H LEU 69 H LEU 69 6.224 -4.000 -3.459 555 HA LEU 69 HA LEU 69 4.662 -1.605 -2.675 556 HB2 LEU 69 HB2 LEU 69 6.043 -2.775 -0.960 557 HB3 LEU 69 HB3 LEU 69 7.450 -2.429 -1.940 558 HG LEU 69 HG LEU 69 7.267 -0.065 -1.447 559 HD11 LEU 69 1HD1 LEU 69 4.826 -0.984 0.124 560 HD12 LEU 69 2HD1 LEU 69 4.848 0.207 -1.193 561 HD13 LEU 69 3HD1 LEU 69 5.580 0.584 0.369 562 HD21 LEU 69 3HD2 LEU 69 7.097 -1.822 1.013 563 HD22 LEU 69 1HD2 LEU 69 7.752 -0.176 0.946 564 HD23 LEU 69 2HD2 LEU 69 8.551 -1.463 0.050 565 H VAL 70 H VAL 70 5.423 0.421 -3.291 566 HA VAL 70 HA VAL 70 8.176 0.373 -4.356 567 HB VAL 70 HB VAL 70 7.423 2.878 -5.312 568 HG11 VAL 70 1HG1 VAL 70 8.870 1.287 -6.337 569 HG12 VAL 70 2HG1 VAL 70 7.449 0.327 -6.814 570 HG13 VAL 70 3HG1 VAL 70 7.666 1.965 -7.451 571 HG21 VAL 70 3HG2 VAL 70 5.100 1.156 -6.084 572 HG22 VAL 70 1HG2 VAL 70 5.019 2.520 -4.940 573 HG23 VAL 70 2HG2 VAL 70 5.482 2.803 -6.622 574 H LEU 71 H LEU 71 9.249 2.299 -4.093 575 HA LEU 71 HA LEU 71 8.845 4.004 -1.847 576 HB2 LEU 71 HB2 LEU 71 10.616 3.711 -4.101 577 HB3 LEU 71 HB3 LEU 71 10.174 5.350 -4.035 578 HG LEU 71 HG LEU 71 12.299 4.501 -2.896 579 HD11 LEU 71 1HD1 LEU 71 10.505 6.316 -1.266 580 HD12 LEU 71 2HD1 LEU 71 11.529 6.787 -2.646 581 HD13 LEU 71 3HD1 LEU 71 12.262 6.188 -1.156 582 HD21 LEU 71 3HD2 LEU 71 10.517 3.888 -0.515 583 HD22 LEU 71 1HD2 LEU 71 12.273 3.740 -0.645 584 HD23 LEU 71 2HD2 LEU 71 11.236 2.649 -1.575 585 H ARG 72 H ARG 72 8.829 6.269 -2.106 586 HA ARG 72 HA ARG 72 6.987 7.411 -4.097 587 HB2 ARG 72 HB2 ARG 72 8.792 8.672 -2.003 588 HB3 ARG 72 HB3 ARG 72 7.992 9.609 -3.260 589 HG2 ARG 72 HG2 ARG 72 6.572 7.967 -1.147 590 HG3 ARG 72 HG3 ARG 72 6.794 9.719 -1.184 591 HD2 ARG 72 HD2 ARG 72 5.555 9.608 -3.466 592 HD3 ARG 72 HD3 ARG 72 5.074 7.985 -2.969 593 HE ARG 72 HE ARG 72 3.939 8.928 -1.013 594 HH11 ARG 72 1HH1 ARG 72 4.926 11.390 -3.304 595 HH12 ARG 72 2HH1 ARG 72 3.750 12.529 -2.775 596 HH21 ARG 72 1HH2 ARG 72 2.604 10.380 -0.250 597 HH22 ARG 72 2HH2 ARG 72 2.434 11.972 -0.974 598 H LEU 73 H LEU 73 10.249 8.537 -3.549 599 HA LEU 73 HA LEU 73 11.646 9.650 -4.900 600 HB2 LEU 73 HB2 LEU 73 10.658 7.838 -7.120 601 HB3 LEU 73 HB3 LEU 73 11.831 9.102 -7.377 602 HG LEU 73 HG LEU 73 12.337 7.019 -5.225 603 HD11 LEU 73 1HD1 LEU 73 13.570 5.681 -6.893 604 HD12 LEU 73 2HD1 LEU 73 12.975 6.738 -8.190 605 HD13 LEU 73 3HD1 LEU 73 11.840 5.743 -7.259 606 HD21 LEU 73 3HD2 LEU 73 14.687 7.532 -5.759 607 HD22 LEU 73 1HD2 LEU 73 13.822 9.023 -5.350 608 HD23 LEU 73 2HD2 LEU 73 14.177 8.639 -7.048 609 H ARG 74 H ARG 74 11.679 11.449 -6.424 610 HA ARG 74 HA ARG 74 9.131 12.437 -7.476 611 HB2 ARG 74 HB2 ARG 74 9.031 13.149 -5.132 612 HB3 ARG 74 HB3 ARG 74 10.589 13.955 -5.258 613 HG2 ARG 74 HG2 ARG 74 8.333 14.750 -7.121 614 HG3 ARG 74 HG3 ARG 74 8.282 15.262 -5.439 615 HD2 ARG 74 HD2 ARG 74 10.380 16.466 -5.632 616 HD3 ARG 74 HD3 ARG 74 10.614 15.895 -7.290 617 HE ARG 74 HE ARG 74 8.098 17.175 -7.193 618 HH11 ARG 74 1HH1 ARG 74 11.445 18.320 -6.759 619 HH12 ARG 74 2HH1 ARG 74 11.160 19.666 -7.808 620 HH21 ARG 74 1HH2 ARG 74 7.824 19.110 -8.289 621 HH22 ARG 74 2HH2 ARG 74 9.165 20.208 -8.401 622 H GLY 75 H GLY 75 9.483 13.377 -9.352 623 HA2 GLY 75 HA2 GLY 75 10.490 14.781 -10.962 624 HA3 GLY 75 HA3 GLY 75 11.957 14.883 -9.988 625 H GLY 76 H GLY 76 11.043 13.892 -12.870 626 HA2 GLY 76 HA2 GLY 76 13.176 12.486 -13.787 627 HA3 GLY 76 HA3 GLY 76 12.210 11.214 -13.035 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -7.816 -9.439 6.496 2 H2 MET 1 H2 MET 1 -6.847 -10.636 6.993 3 H3 MET 1 H3 MET 1 -8.389 -10.981 6.437 4 HA MET 1 HA MET 1 -6.872 -11.558 4.697 5 HB2 MET 1 HB2 MET 1 -8.800 -10.739 3.775 6 HB3 MET 1 HB3 MET 1 -8.450 -9.045 4.167 7 HG2 MET 1 HG2 MET 1 -6.788 -8.874 2.505 8 HG3 MET 1 HG3 MET 1 -6.633 -10.624 2.355 9 HE1 MET 1 HE1 MET 1 -8.651 -8.133 -0.602 10 HE2 MET 1 HE2 MET 1 -8.127 -7.445 0.948 11 HE3 MET 1 HE3 MET 1 -6.971 -8.357 -0.057 12 H GLN 2 H GLN 2 -4.817 -11.686 5.140 13 HA GLN 2 HA GLN 2 -3.148 -9.381 5.559 14 HB2 GLN 2 HB2 GLN 2 -2.728 -11.605 6.471 15 HB3 GLN 2 HB3 GLN 2 -2.503 -12.271 4.849 16 HG2 GLN 2 HG2 GLN 2 -0.455 -11.059 4.525 17 HG3 GLN 2 HG3 GLN 2 -0.774 -10.007 5.916 18 HE21 GLN 2 1HE2 GLN 2 -0.890 -11.083 8.100 19 HE22 GLN 2 2HE2 GLN 2 0.054 -12.554 8.326 20 H ILE 3 H ILE 3 -1.917 -8.212 4.117 21 HA ILE 3 HA ILE 3 -1.660 -9.072 1.287 22 HB ILE 3 HB ILE 3 -2.269 -6.922 0.391 23 HG12 ILE 3 2HG1 ILE 3 -3.119 -6.074 3.193 24 HG13 ILE 3 3HG1 ILE 3 -1.690 -5.498 2.330 25 HG21 ILE 3 1HG2 ILE 3 -4.006 -8.713 0.646 26 HG22 ILE 3 2HG2 ILE 3 -4.582 -7.887 2.114 27 HG23 ILE 3 3HG2 ILE 3 -4.665 -7.084 0.532 28 HD11 ILE 3 3HD1 ILE 3 -3.118 -4.514 0.569 29 HD12 ILE 3 1HD1 ILE 3 -4.564 -4.999 1.483 30 HD13 ILE 3 2HD1 ILE 3 -3.425 -3.836 2.179 31 H PHE 4 H PHE 4 0.018 -7.836 0.120 32 HA PHE 4 HA PHE 4 2.191 -7.066 2.007 33 HB2 PHE 4 HB2 PHE 4 2.337 -8.795 -0.469 34 HB3 PHE 4 HB3 PHE 4 3.722 -8.245 0.462 35 HD1 PHE 4 HD1 PHE 4 3.899 -8.945 2.963 36 HD2 PHE 4 HD2 PHE 4 1.102 -10.709 0.203 37 HE1 PHE 4 HE1 PHE 4 3.634 -10.891 4.473 38 HE2 PHE 4 HE2 PHE 4 0.825 -12.654 1.730 39 HZ PHE 4 HZ PHE 4 2.078 -12.739 3.875 40 H VAL 5 H VAL 5 3.815 -5.634 1.381 41 HA VAL 5 HA VAL 5 3.415 -4.250 -1.216 42 HB VAL 5 HB VAL 5 4.436 -2.670 1.114 43 HG11 VAL 5 1HG1 VAL 5 4.915 -1.772 -1.119 44 HG12 VAL 5 2HG1 VAL 5 3.192 -1.886 -1.551 45 HG13 VAL 5 3HG1 VAL 5 3.743 -0.772 -0.277 46 HG21 VAL 5 3HG2 VAL 5 2.195 -3.335 1.808 47 HG22 VAL 5 1HG2 VAL 5 2.189 -1.642 1.308 48 HG23 VAL 5 2HG2 VAL 5 1.539 -2.887 0.216 49 H LYS 6 H LYS 6 5.112 -3.790 -2.466 50 HA LYS 6 HA LYS 6 7.785 -4.930 -1.732 51 HB2 LYS 6 HB2 LYS 6 6.908 -5.946 -3.709 52 HB3 LYS 6 HB3 LYS 6 6.215 -4.442 -4.273 53 HG2 LYS 6 HG2 LYS 6 7.938 -4.913 -5.735 54 HG3 LYS 6 HG3 LYS 6 8.468 -3.534 -4.785 55 HD2 LYS 6 HD2 LYS 6 9.882 -5.169 -3.401 56 HD3 LYS 6 HD3 LYS 6 9.258 -6.487 -4.422 57 HE2 LYS 6 HE2 LYS 6 10.118 -4.746 -6.345 58 HE3 LYS 6 HE3 LYS 6 11.252 -4.330 -5.064 59 HZ1 LYS 6 HZ1 LYS 6 11.881 -6.765 -5.045 60 HZ2 LYS 6 HZ2 LYS 6 12.099 -6.031 -6.504 61 HZ3 LYS 6 HZ3 LYS 6 10.810 -7.004 -6.294 62 H THR 7 H THR 7 9.102 -3.367 -0.876 63 HA THR 7 HA THR 7 8.783 -0.605 -1.780 64 HB THR 7 HB THR 7 10.116 0.174 -0.152 65 HG1 THR 7 HG1 THR 7 11.662 -1.082 0.929 66 HG21 THR 7 1HG2 THR 7 8.202 -1.056 0.907 67 HG22 THR 7 2HG2 THR 7 9.618 -0.857 1.952 68 HG23 THR 7 3HG2 THR 7 9.300 -2.427 1.188 69 H LEU 8 H LEU 8 10.662 0.733 -2.321 70 HA LEU 8 HA LEU 8 11.925 -0.008 -4.776 71 HB2 LEU 8 HB2 LEU 8 12.670 2.077 -2.675 72 HB3 LEU 8 HB3 LEU 8 13.327 2.029 -4.305 73 HG LEU 8 HG LEU 8 10.345 2.371 -3.737 74 HD11 LEU 8 1HD1 LEU 8 12.467 4.493 -4.230 75 HD12 LEU 8 2HD1 LEU 8 11.582 4.218 -2.715 76 HD13 LEU 8 3HD1 LEU 8 10.714 4.766 -4.154 77 HD21 LEU 8 3HD2 LEU 8 10.309 3.276 -6.038 78 HD22 LEU 8 1HD2 LEU 8 10.885 1.607 -6.032 79 HD23 LEU 8 2HD2 LEU 8 12.044 2.944 -6.207 80 H THR 9 H THR 9 13.096 -0.085 -1.402 81 HA THR 9 HA THR 9 15.618 -1.252 -2.012 82 HB THR 9 HB THR 9 14.570 -1.628 0.730 83 HG1 THR 9 HG1 THR 9 15.155 0.713 0.971 84 HG21 THR 9 1HG2 THR 9 16.965 -1.989 0.156 85 HG22 THR 9 2HG2 THR 9 16.753 -0.686 1.333 86 HG23 THR 9 3HG2 THR 9 17.084 -0.297 -0.372 87 H GLY 10 H GLY 10 13.031 -2.741 -2.834 88 HA2 GLY 10 HA2 GLY 10 12.603 -4.915 -3.378 89 HA3 GLY 10 HA3 GLY 10 14.147 -5.388 -2.665 90 H LYS 11 H LYS 11 12.827 -3.958 -0.087 91 HA LYS 11 HA LYS 11 12.275 -6.421 1.223 92 HB2 LYS 11 HB2 LYS 11 11.577 -3.598 2.153 93 HB3 LYS 11 HB3 LYS 11 11.546 -5.054 3.147 94 HG2 LYS 11 HG2 LYS 11 14.044 -5.337 2.585 95 HG3 LYS 11 HG3 LYS 11 13.979 -3.682 1.950 96 HD2 LYS 11 HD2 LYS 11 13.122 -2.909 4.196 97 HD3 LYS 11 HD3 LYS 11 13.276 -4.577 4.785 98 HE2 LYS 11 HE2 LYS 11 15.741 -4.469 4.146 99 HE3 LYS 11 HE3 LYS 11 15.526 -2.744 3.833 100 HZ1 LYS 11 HZ1 LYS 11 16.347 -3.147 6.065 101 HZ2 LYS 11 HZ2 LYS 11 15.073 -4.098 6.450 102 HZ3 LYS 11 HZ3 LYS 11 14.885 -2.488 6.192 103 H THR 12 H THR 12 10.534 -7.533 1.748 104 HA THR 12 HA THR 12 7.877 -6.709 0.917 105 HB THR 12 HB THR 12 8.274 -9.115 2.632 106 HG1 THR 12 HG1 THR 12 8.733 -10.273 0.740 107 HG21 THR 12 1HG2 THR 12 6.482 -10.006 1.220 108 HG22 THR 12 2HG2 THR 12 6.523 -8.544 0.203 109 HG23 THR 12 3HG2 THR 12 5.997 -8.445 1.898 110 H ILE 13 H ILE 13 6.522 -5.538 2.001 111 HA ILE 13 HA ILE 13 6.621 -5.325 4.977 112 HB ILE 13 HB ILE 13 4.993 -3.722 2.989 113 HG12 ILE 13 2HG1 ILE 13 7.269 -3.326 2.314 114 HG13 ILE 13 3HG1 ILE 13 6.605 -1.914 3.086 115 HG21 ILE 13 1HG2 ILE 13 4.105 -3.527 5.216 116 HG22 ILE 13 2HG2 ILE 13 5.715 -3.201 5.889 117 HG23 ILE 13 3HG2 ILE 13 4.928 -2.023 4.817 118 HD11 ILE 13 3HD1 ILE 13 7.860 -2.457 5.175 119 HD12 ILE 13 1HD1 ILE 13 8.532 -3.901 4.391 120 HD13 ILE 13 2HD1 ILE 13 8.938 -2.286 3.789 121 H THR 14 H THR 14 4.844 -5.949 6.202 122 HA THR 14 HA THR 14 2.611 -7.333 4.812 123 HB THR 14 HB THR 14 3.429 -7.886 7.645 124 HG1 THR 14 HG1 THR 14 4.665 -9.521 6.895 125 HG21 THR 14 1HG2 THR 14 1.834 -9.436 5.567 126 HG22 THR 14 2HG2 THR 14 1.233 -8.751 7.091 127 HG23 THR 14 3HG2 THR 14 2.373 -10.106 7.126 128 H LEU 15 H LEU 15 0.545 -6.799 5.064 129 HA LEU 15 HA LEU 15 -0.277 -5.048 7.341 130 HB2 LEU 15 HB2 LEU 15 -1.084 -4.809 4.425 131 HB3 LEU 15 HB3 LEU 15 -1.816 -3.886 5.729 132 HG LEU 15 HG LEU 15 1.132 -3.713 5.002 133 HD11 LEU 15 1HD1 LEU 15 0.583 -1.628 3.849 134 HD12 LEU 15 2HD1 LEU 15 -1.148 -1.869 4.188 135 HD13 LEU 15 3HD1 LEU 15 -0.277 -2.985 3.113 136 HD21 LEU 15 3HD2 LEU 15 1.068 -1.595 6.256 137 HD22 LEU 15 1HD2 LEU 15 0.624 -2.952 7.292 138 HD23 LEU 15 2HD2 LEU 15 -0.644 -1.869 6.662 139 H GLU 16 H GLU 16 -2.579 -5.090 7.730 140 HA GLU 16 HA GLU 16 -4.075 -7.510 6.882 141 HB2 GLU 16 HB2 GLU 16 -3.292 -6.785 9.678 142 HB3 GLU 16 HB3 GLU 16 -4.950 -7.300 9.448 143 HG2 GLU 16 HG2 GLU 16 -2.625 -8.963 8.418 144 HG3 GLU 16 HG3 GLU 16 -3.211 -9.068 10.074 145 H VAL 17 H VAL 17 -6.143 -7.231 6.550 146 HA VAL 17 HA VAL 17 -7.684 -4.778 7.132 147 HB VAL 17 HB VAL 17 -8.076 -4.462 4.634 148 HG11 VAL 17 1HG1 VAL 17 -6.673 -2.898 5.940 149 HG12 VAL 17 2HG1 VAL 17 -5.232 -3.834 5.474 150 HG13 VAL 17 3HG1 VAL 17 -6.199 -3.030 4.235 151 HG21 VAL 17 3HG2 VAL 17 -5.495 -6.058 4.322 152 HG22 VAL 17 1HG2 VAL 17 -7.112 -6.569 3.778 153 HG23 VAL 17 2HG2 VAL 17 -6.321 -5.159 3.060 154 H GLU 18 H GLU 18 -9.880 -5.021 6.032 155 HA GLU 18 HA GLU 18 -10.805 -7.854 5.863 156 HB2 GLU 18 HB2 GLU 18 -11.969 -5.427 6.760 157 HB3 GLU 18 HB3 GLU 18 -12.777 -5.732 5.263 158 HG2 GLU 18 HG2 GLU 18 -12.459 -7.838 7.461 159 HG3 GLU 18 HG3 GLU 18 -13.769 -6.655 7.463 160 HA PRO 19 HA PRO 19 -10.638 -7.679 1.289 161 HB2 PRO 19 HB2 PRO 19 -12.945 -9.149 0.696 162 HB3 PRO 19 HB3 PRO 19 -11.339 -9.846 1.024 163 HG2 PRO 19 HG2 PRO 19 -13.645 -9.464 2.951 164 HG3 PRO 19 HG3 PRO 19 -12.606 -10.913 2.729 165 HD2 PRO 19 HD2 PRO 19 -12.082 -9.242 4.747 166 HD3 PRO 19 HD3 PRO 19 -10.756 -9.846 3.768 167 H SER 20 H SER 20 -13.521 -6.750 3.181 168 HA SER 20 HA SER 20 -14.508 -5.097 0.932 169 HB2 SER 20 HB2 SER 20 -16.061 -6.411 2.384 170 HB3 SER 20 HB3 SER 20 -15.634 -5.345 3.733 171 HG SER 20 HG SER 20 -16.223 -3.589 2.305 172 H ASP 21 H ASP 21 -11.944 -4.493 2.965 173 HA ASP 21 HA ASP 21 -12.661 -1.865 3.830 174 HB2 ASP 21 HB2 ASP 21 -10.067 -3.336 3.791 175 HB3 ASP 21 HB3 ASP 21 -10.042 -1.593 3.926 176 H THR 22 H THR 22 -12.227 0.109 3.250 177 HA THR 22 HA THR 22 -12.057 0.589 0.411 178 HB THR 22 HB THR 22 -12.742 2.693 0.628 179 HG1 THR 22 HG1 THR 22 -12.530 3.828 2.664 180 HG21 THR 22 1HG2 THR 22 -14.516 2.877 2.257 181 HG22 THR 22 2HG2 THR 22 -13.790 1.620 3.284 182 HG23 THR 22 3HG2 THR 22 -14.459 1.200 1.692 183 H ILE 23 H ILE 23 -10.609 1.744 -0.797 184 HA ILE 23 HA ILE 23 -7.867 1.331 -0.274 185 HB ILE 23 HB ILE 23 -9.349 3.178 -2.176 186 HG12 ILE 23 2HG1 ILE 23 -9.724 0.812 -2.628 187 HG13 ILE 23 3HG1 ILE 23 -8.779 1.551 -3.891 188 HG21 ILE 23 1HG2 ILE 23 -6.360 2.648 -2.067 189 HG22 ILE 23 2HG2 ILE 23 -7.217 3.268 -3.500 190 HG23 ILE 23 3HG2 ILE 23 -7.228 4.210 -2.017 191 HD11 ILE 23 3HD1 ILE 23 -7.959 -0.681 -3.438 192 HD12 ILE 23 1HD1 ILE 23 -6.713 0.477 -2.949 193 HD13 ILE 23 2HD1 ILE 23 -7.732 -0.319 -1.723 194 H GLU 24 H GLU 24 -9.871 4.024 0.772 195 HA GLU 24 HA GLU 24 -7.699 5.763 1.685 196 HB2 GLU 24 HB2 GLU 24 -9.876 6.735 1.293 197 HB3 GLU 24 HB3 GLU 24 -10.656 5.544 2.310 198 HG2 GLU 24 HG2 GLU 24 -10.632 7.624 3.468 199 HG3 GLU 24 HG3 GLU 24 -9.610 6.499 4.332 200 H ASN 25 H ASN 25 -9.700 3.177 3.197 201 HA ASN 25 HA ASN 25 -8.703 3.524 5.853 202 HB2 ASN 25 HB2 ASN 25 -10.728 2.127 4.790 203 HB3 ASN 25 HB3 ASN 25 -9.556 0.812 4.778 204 HD21 ASN 25 1HD2 ASN 25 -12.064 1.795 6.504 205 HD22 ASN 25 2HD2 ASN 25 -11.496 1.503 8.143 206 H VAL 26 H VAL 26 -7.572 1.466 3.144 207 HA VAL 26 HA VAL 26 -5.240 0.498 4.528 208 HB VAL 26 HB VAL 26 -5.285 0.810 1.553 209 HG11 VAL 26 1HG1 VAL 26 -3.232 -0.084 2.644 210 HG12 VAL 26 2HG1 VAL 26 -4.201 -1.362 3.410 211 HG13 VAL 26 3HG1 VAL 26 -4.018 -1.312 1.645 212 HG21 VAL 26 3HG2 VAL 26 -7.413 -0.178 1.806 213 HG22 VAL 26 1HG2 VAL 26 -6.346 -1.543 1.549 214 HG23 VAL 26 2HG2 VAL 26 -6.908 -1.169 3.187 215 H LYS 27 H LYS 27 -5.634 3.340 2.335 216 HA LYS 27 HA LYS 27 -2.907 4.153 2.410 217 HB2 LYS 27 HB2 LYS 27 -5.394 5.217 1.341 218 HB3 LYS 27 HB3 LYS 27 -4.749 6.443 2.385 219 HG2 LYS 27 HG2 LYS 27 -3.752 7.009 0.379 220 HG3 LYS 27 HG3 LYS 27 -2.498 6.050 1.166 221 HD2 LYS 27 HD2 LYS 27 -2.542 5.312 -1.088 222 HD3 LYS 27 HD3 LYS 27 -3.319 4.043 -0.151 223 HE2 LYS 27 HE2 LYS 27 -4.539 4.352 -2.185 224 HE3 LYS 27 HE3 LYS 27 -5.552 4.892 -0.847 225 HZ1 LYS 27 HZ1 LYS 27 -5.369 7.111 -1.591 226 HZ2 LYS 27 HZ2 LYS 27 -5.312 6.279 -3.012 227 HZ3 LYS 27 HZ3 LYS 27 -3.961 6.879 -2.402 228 H ALA 28 H ALA 28 -5.426 4.562 4.810 229 HA ALA 28 HA ALA 28 -3.780 6.346 6.470 230 HB1 ALA 28 HB1 ALA 28 -6.364 4.828 7.064 231 HB2 ALA 28 HB2 ALA 28 -5.635 6.100 8.075 232 HB3 ALA 28 HB3 ALA 28 -6.240 6.490 6.453 233 H LYS 29 H LYS 29 -4.883 2.910 6.818 234 HA LYS 29 HA LYS 29 -3.482 2.308 9.189 235 HB2 LYS 29 HB2 LYS 29 -4.394 0.597 6.853 236 HB3 LYS 29 HB3 LYS 29 -3.515 -0.112 8.210 237 HG2 LYS 29 HG2 LYS 29 -5.186 0.608 9.803 238 HG3 LYS 29 HG3 LYS 29 -6.068 1.498 8.541 239 HD2 LYS 29 HD2 LYS 29 -6.748 -0.508 7.443 240 HD3 LYS 29 HD3 LYS 29 -5.529 -1.481 8.264 241 HE2 LYS 29 HE2 LYS 29 -7.726 -2.022 9.089 242 HE3 LYS 29 HE3 LYS 29 -6.722 -1.355 10.382 243 HZ1 LYS 29 HZ1 LYS 29 -9.107 -0.511 10.170 244 HZ2 LYS 29 HZ2 LYS 29 -8.608 0.357 8.874 245 HZ3 LYS 29 HZ3 LYS 29 -7.986 0.639 10.373 246 H ILE 30 H ILE 30 -2.137 2.339 5.920 247 HA ILE 30 HA ILE 30 0.248 0.932 6.590 248 HB ILE 30 HB ILE 30 -0.649 1.498 4.272 249 HG12 ILE 30 2HG1 ILE 30 2.329 2.018 4.766 250 HG13 ILE 30 3HG1 ILE 30 1.556 0.401 4.843 251 HG21 ILE 30 1HG2 ILE 30 0.015 3.493 3.146 252 HG22 ILE 30 2HG2 ILE 30 -0.819 3.968 4.629 253 HG23 ILE 30 3HG2 ILE 30 0.950 4.050 4.543 254 HD11 ILE 30 3HD1 ILE 30 1.853 2.154 2.380 255 HD12 ILE 30 1HD1 ILE 30 2.526 0.553 2.685 256 HD13 ILE 30 2HD1 ILE 30 0.791 0.730 2.442 257 H GLN 31 H GLN 31 -0.546 4.372 7.185 258 HA GLN 31 HA GLN 31 2.236 5.029 7.769 259 HB2 GLN 31 HB2 GLN 31 -0.362 6.539 8.242 260 HB3 GLN 31 HB3 GLN 31 1.193 7.086 8.846 261 HG2 GLN 31 HG2 GLN 31 1.430 8.189 6.931 262 HG3 GLN 31 HG3 GLN 31 1.892 6.642 6.243 263 HE21 GLN 31 1HE2 GLN 31 0.789 6.247 4.293 264 HE22 GLN 31 2HE2 GLN 31 -0.917 6.699 4.110 265 H ASP 32 H ASP 32 -0.535 3.922 9.721 266 HA ASP 32 HA ASP 32 0.827 4.224 12.258 267 HB2 ASP 32 HB2 ASP 32 -1.586 4.052 12.196 268 HB3 ASP 32 HB3 ASP 32 -1.501 2.468 11.421 269 H LYS 33 H LYS 33 0.476 1.425 10.053 270 HA LYS 33 HA LYS 33 1.869 -0.317 11.866 271 HB2 LYS 33 HB2 LYS 33 0.142 -0.718 9.828 272 HB3 LYS 33 HB3 LYS 33 1.627 -1.068 8.950 273 HG2 LYS 33 HG2 LYS 33 0.870 -2.349 11.620 274 HG3 LYS 33 HG3 LYS 33 0.356 -3.006 10.072 275 HD2 LYS 33 HD2 LYS 33 2.592 -3.490 9.376 276 HD3 LYS 33 HD3 LYS 33 3.304 -2.639 10.738 277 HE2 LYS 33 HE2 LYS 33 1.531 -5.090 11.042 278 HE3 LYS 33 HE3 LYS 33 3.293 -5.141 10.915 279 HZ1 LYS 33 HZ1 LYS 33 1.745 -3.866 13.118 280 HZ2 LYS 33 HZ2 LYS 33 3.352 -3.650 12.891 281 HZ3 LYS 33 HZ3 LYS 33 2.787 -5.152 13.202 282 H GLU 34 H GLU 34 3.006 1.306 8.894 283 HA GLU 34 HA GLU 34 5.809 0.488 9.599 284 HB2 GLU 34 HB2 GLU 34 4.467 -0.873 7.783 285 HB3 GLU 34 HB3 GLU 34 4.719 0.547 6.784 286 HG2 GLU 34 HG2 GLU 34 6.461 -0.837 6.202 287 HG3 GLU 34 HG3 GLU 34 7.247 0.278 7.290 288 H GLY 35 H GLY 35 3.762 3.091 8.389 289 HA2 GLY 35 HA2 GLY 35 4.354 5.346 8.484 290 HA3 GLY 35 HA3 GLY 35 6.034 4.907 8.738 291 H ILE 36 H ILE 36 3.914 4.089 5.943 292 HA ILE 36 HA ILE 36 5.750 5.588 4.112 293 HB ILE 36 HB ILE 36 3.655 3.474 3.577 294 HG12 ILE 36 2HG1 ILE 36 6.708 3.430 3.420 295 HG13 ILE 36 3HG1 ILE 36 5.729 2.638 4.658 296 HG21 ILE 36 1HG2 ILE 36 5.579 4.635 1.535 297 HG22 ILE 36 2HG2 ILE 36 4.261 3.483 1.258 298 HG23 ILE 36 3HG2 ILE 36 3.882 5.146 1.655 299 HD11 ILE 36 3HD1 ILE 36 4.725 1.166 2.917 300 HD12 ILE 36 1HD1 ILE 36 5.831 1.879 1.714 301 HD13 ILE 36 2HD1 ILE 36 6.479 0.979 3.094 302 HA PRO 37 HA PRO 37 2.168 8.457 4.192 303 HB2 PRO 37 HB2 PRO 37 3.424 10.860 4.262 304 HB3 PRO 37 HB3 PRO 37 3.349 9.773 5.683 305 HG2 PRO 37 HG2 PRO 37 5.601 10.061 3.679 306 HG3 PRO 37 HG3 PRO 37 5.712 10.095 5.462 307 HD2 PRO 37 HD2 PRO 37 6.190 7.813 4.025 308 HD3 PRO 37 HD3 PRO 37 5.417 7.801 5.635 309 HA PRO 38 HA PRO 38 1.694 9.221 -0.103 310 HB2 PRO 38 HB2 PRO 38 -0.197 11.202 -0.226 311 HB3 PRO 38 HB3 PRO 38 -0.529 9.557 0.393 312 HG2 PRO 38 HG2 PRO 38 0.173 12.039 2.003 313 HG3 PRO 38 HG3 PRO 38 -1.204 10.916 2.255 314 HD2 PRO 38 HD2 PRO 38 1.084 10.654 3.672 315 HD3 PRO 38 HD3 PRO 38 0.224 9.210 3.071 316 H ASP 39 H ASP 39 2.577 12.176 1.721 317 HA ASP 39 HA ASP 39 3.464 13.534 -0.681 318 HB2 ASP 39 HB2 ASP 39 3.408 14.365 2.145 319 HB3 ASP 39 HB3 ASP 39 4.486 15.191 1.020 320 H GLN 40 H GLN 40 4.763 10.929 0.397 321 HA GLN 40 HA GLN 40 7.554 11.707 -0.417 322 HB2 GLN 40 HB2 GLN 40 7.078 11.550 2.055 323 HB3 GLN 40 HB3 GLN 40 6.748 9.845 1.807 324 HG2 GLN 40 HG2 GLN 40 9.337 10.652 0.632 325 HG3 GLN 40 HG3 GLN 40 9.237 11.125 2.323 326 HE21 GLN 40 1HE2 GLN 40 10.797 8.907 0.853 327 HE22 GLN 40 2HE2 GLN 40 10.200 7.435 1.614 328 H ASN 41 H ASN 41 5.095 9.069 -0.299 329 HA ASN 41 HA ASN 41 6.232 7.868 -2.722 330 HB2 ASN 41 HB2 ASN 41 6.176 5.589 -1.232 331 HB3 ASN 41 HB3 ASN 41 7.571 6.463 -1.724 332 HD21 ASN 41 1HD2 ASN 41 5.549 7.524 1.119 333 HD22 ASN 41 2HD2 ASN 41 6.993 7.323 2.127 334 H ARG 42 H ARG 42 4.807 5.779 -3.315 335 HA ARG 42 HA ARG 42 1.980 6.087 -2.543 336 HB2 ARG 42 HB2 ARG 42 1.301 6.656 -4.899 337 HB3 ARG 42 HB3 ARG 42 2.093 7.942 -3.993 338 HG2 ARG 42 HG2 ARG 42 4.206 7.533 -5.164 339 HG3 ARG 42 HG3 ARG 42 3.484 6.201 -6.089 340 HD2 ARG 42 HD2 ARG 42 2.011 7.680 -7.238 341 HD3 ARG 42 HD3 ARG 42 2.339 9.014 -6.119 342 HE ARG 42 HE ARG 42 4.828 8.481 -7.194 343 HH11 ARG 42 1HH1 ARG 42 1.734 9.067 -8.797 344 HH12 ARG 42 2HH1 ARG 42 2.451 10.261 -9.878 345 HH21 ARG 42 1HH2 ARG 42 5.584 10.135 -8.624 346 HH22 ARG 42 2HH2 ARG 42 4.500 10.656 -9.900 347 H LEU 43 H LEU 43 0.731 4.394 -2.997 348 HA LEU 43 HA LEU 43 2.070 1.880 -3.528 349 HB2 LEU 43 HB2 LEU 43 -0.814 2.654 -2.901 350 HB3 LEU 43 HB3 LEU 43 -0.321 1.001 -3.194 351 HG LEU 43 HG LEU 43 -0.567 1.425 -0.842 352 HD11 LEU 43 1HD1 LEU 43 1.095 -0.242 -1.603 353 HD12 LEU 43 2HD1 LEU 43 1.518 0.484 -0.045 354 HD13 LEU 43 3HD1 LEU 43 2.369 0.992 -1.515 355 HD21 LEU 43 3HD2 LEU 43 0.803 2.864 0.469 356 HD22 LEU 43 1HD2 LEU 43 0.091 3.847 -0.812 357 HD23 LEU 43 2HD2 LEU 43 1.798 3.330 -0.915 358 H ILE 44 H ILE 44 2.306 0.841 -5.360 359 HA ILE 44 HA ILE 44 0.371 1.390 -7.632 360 HB ILE 44 HB ILE 44 3.158 0.208 -7.716 361 HG12 ILE 44 2HG1 ILE 44 3.327 2.532 -7.221 362 HG13 ILE 44 3HG1 ILE 44 3.807 2.244 -8.896 363 HG21 ILE 44 1HG2 ILE 44 1.913 -0.746 -9.552 364 HG22 ILE 44 2HG2 ILE 44 1.238 0.842 -9.993 365 HG23 ILE 44 3HG2 ILE 44 2.967 0.504 -10.199 366 HD11 ILE 44 3HD1 ILE 44 1.683 3.155 -9.716 367 HD12 ILE 44 1HD1 ILE 44 1.143 3.458 -8.046 368 HD13 ILE 44 2HD1 ILE 44 2.540 4.319 -8.699 369 H PHE 45 H PHE 45 -0.780 -0.231 -8.654 370 HA PHE 45 HA PHE 45 0.027 -3.001 -8.105 371 HB2 PHE 45 HB2 PHE 45 -1.583 -2.771 -6.404 372 HB3 PHE 45 HB3 PHE 45 -2.734 -2.033 -7.502 373 HD1 PHE 45 HD1 PHE 45 -0.930 -5.231 -6.807 374 HD2 PHE 45 HD2 PHE 45 -4.365 -3.359 -8.637 375 HE1 PHE 45 HE1 PHE 45 -1.952 -7.454 -7.168 376 HE2 PHE 45 HE2 PHE 45 -5.402 -5.592 -8.953 377 HZ PHE 45 HZ PHE 45 -4.206 -7.641 -8.221 378 H ALA 46 H ALA 46 0.177 -4.230 -9.844 379 HA ALA 46 HA ALA 46 0.453 -4.652 -12.045 380 HB1 ALA 46 HB1 ALA 46 -1.807 -5.523 -11.585 381 HB2 ALA 46 HB2 ALA 46 -2.507 -3.994 -12.168 382 HB3 ALA 46 HB3 ALA 46 -1.598 -5.041 -13.277 383 H GLY 47 H GLY 47 0.828 -1.722 -11.335 384 HA2 GLY 47 HA2 GLY 47 1.800 -0.004 -12.647 385 HA3 GLY 47 HA3 GLY 47 0.997 -0.627 -14.086 386 H LYS 48 H LYS 48 -1.583 -0.687 -12.193 387 HA LYS 48 HA LYS 48 -2.485 2.083 -12.652 388 HB2 LYS 48 HB2 LYS 48 -3.800 -0.379 -11.441 389 HB3 LYS 48 HB3 LYS 48 -4.466 1.230 -11.203 390 HG2 LYS 48 HG2 LYS 48 -4.486 1.517 -13.731 391 HG3 LYS 48 HG3 LYS 48 -4.118 -0.211 -13.856 392 HD2 LYS 48 HD2 LYS 48 -6.215 -0.739 -12.614 393 HD3 LYS 48 HD3 LYS 48 -6.534 0.999 -12.416 394 HE2 LYS 48 HE2 LYS 48 -6.487 1.169 -14.972 395 HE3 LYS 48 HE3 LYS 48 -6.497 -0.598 -15.009 396 HZ1 LYS 48 HZ1 LYS 48 -8.671 -0.521 -13.826 397 HZ2 LYS 48 HZ2 LYS 48 -8.738 0.322 -15.208 398 HZ3 LYS 48 HZ3 LYS 48 -8.629 1.123 -13.801 399 H GLN 49 H GLN 49 -3.056 3.519 -11.029 400 HA GLN 49 HA GLN 49 -1.627 3.216 -8.423 401 HB2 GLN 49 HB2 GLN 49 -2.712 5.827 -9.527 402 HB3 GLN 49 HB3 GLN 49 -1.571 5.554 -8.203 403 HG2 GLN 49 HG2 GLN 49 -0.181 4.371 -10.211 404 HG3 GLN 49 HG3 GLN 49 -1.130 5.473 -11.190 405 HE21 GLN 49 1HE2 GLN 49 1.416 5.717 -11.506 406 HE22 GLN 49 2HE2 GLN 49 2.094 7.089 -10.618 407 H LEU 50 H LEU 50 -2.921 3.855 -6.495 408 HA LEU 50 HA LEU 50 -5.689 2.802 -6.825 409 HB2 LEU 50 HB2 LEU 50 -3.768 2.562 -4.499 410 HB3 LEU 50 HB3 LEU 50 -5.408 1.907 -4.562 411 HG LEU 50 HG LEU 50 -3.072 1.042 -6.337 412 HD11 LEU 50 1HD1 LEU 50 -3.254 -1.060 -5.080 413 HD12 LEU 50 2HD1 LEU 50 -4.561 -0.384 -4.089 414 HD13 LEU 50 3HD1 LEU 50 -2.918 0.298 -3.987 415 HD21 LEU 50 3HD2 LEU 50 -4.641 -0.813 -7.009 416 HD22 LEU 50 1HD2 LEU 50 -5.139 0.771 -7.598 417 HD23 LEU 50 2HD2 LEU 50 -5.955 0.050 -6.191 418 H GLU 51 H GLU 51 -7.237 4.173 -6.640 419 HA GLU 51 HA GLU 51 -6.797 6.715 -5.207 420 HB2 GLU 51 HB2 GLU 51 -7.208 6.509 -7.655 421 HB3 GLU 51 HB3 GLU 51 -8.869 5.989 -7.295 422 HG2 GLU 51 HG2 GLU 51 -9.269 8.165 -6.132 423 HG3 GLU 51 HG3 GLU 51 -7.596 8.634 -6.445 424 H ASP 52 H ASP 52 -8.091 7.570 -3.705 425 HA ASP 52 HA ASP 52 -9.686 5.827 -2.146 426 HB2 ASP 52 HB2 ASP 52 -10.316 8.138 -1.020 427 HB3 ASP 52 HB3 ASP 52 -8.815 7.253 -0.739 428 H GLY 53 H GLY 53 -11.778 5.394 -1.971 429 HA2 GLY 53 HA2 GLY 53 -14.164 6.196 -2.371 430 HA3 GLY 53 HA3 GLY 53 -13.637 6.580 -4.013 431 H ARG 54 H ARG 54 -11.995 3.786 -3.392 432 HA ARG 54 HA ARG 54 -14.250 1.921 -4.094 433 HB2 ARG 54 HB2 ARG 54 -11.383 1.918 -5.133 434 HB3 ARG 54 HB3 ARG 54 -12.624 0.746 -5.549 435 HG2 ARG 54 HG2 ARG 54 -12.748 3.718 -6.231 436 HG3 ARG 54 HG3 ARG 54 -12.239 2.442 -7.329 437 HD2 ARG 54 HD2 ARG 54 -14.399 1.441 -7.380 438 HD3 ARG 54 HD3 ARG 54 -14.974 2.366 -6.010 439 HE ARG 54 HE ARG 54 -14.472 3.462 -8.754 440 HH11 ARG 54 1HH1 ARG 54 -15.983 4.011 -5.598 441 HH12 ARG 54 2HH1 ARG 54 -17.288 4.917 -6.338 442 HH21 ARG 54 1HH2 ARG 54 -15.986 4.988 -9.477 443 HH22 ARG 54 2HH2 ARG 54 -17.042 5.735 -8.302 444 H THR 55 H THR 55 -13.871 -0.333 -3.616 445 HA THR 55 HA THR 55 -12.351 -0.793 -1.143 446 HB THR 55 HB THR 55 -13.363 -2.741 -0.755 447 HG1 THR 55 HG1 THR 55 -14.551 -3.117 -3.227 448 HG21 THR 55 1HG2 THR 55 -15.555 -1.343 -2.331 449 HG22 THR 55 2HG2 THR 55 -15.089 -0.979 -0.652 450 HG23 THR 55 3HG2 THR 55 -15.755 -2.571 -1.066 451 H LEU 56 H LEU 56 -11.027 -2.783 -0.876 452 HA LEU 56 HA LEU 56 -8.860 -3.051 -2.768 453 HB2 LEU 56 HB2 LEU 56 -10.030 -4.766 -0.552 454 HB3 LEU 56 HB3 LEU 56 -8.607 -5.291 -1.446 455 HG LEU 56 HG LEU 56 -8.685 -2.605 0.003 456 HD11 LEU 56 1HD1 LEU 56 -7.537 -3.659 1.843 457 HD12 LEU 56 2HD1 LEU 56 -7.567 -5.240 1.022 458 HD13 LEU 56 3HD1 LEU 56 -9.073 -4.488 1.590 459 HD21 LEU 56 3HD2 LEU 56 -6.463 -4.383 -1.109 460 HD22 LEU 56 1HD2 LEU 56 -6.171 -2.974 -0.088 461 HD23 LEU 56 2HD2 LEU 56 -6.923 -2.759 -1.669 462 H SER 57 H SER 57 -11.732 -5.152 -2.163 463 HA SER 57 HA SER 57 -11.199 -6.954 -4.300 464 HB2 SER 57 HB2 SER 57 -12.789 -7.381 -2.423 465 HB3 SER 57 HB3 SER 57 -13.909 -6.205 -3.141 466 HG SER 57 HG SER 57 -13.599 -7.622 -5.120 467 H ASP 58 H ASP 58 -12.743 -3.753 -4.356 468 HA ASP 58 HA ASP 58 -13.967 -3.948 -6.943 469 HB2 ASP 58 HB2 ASP 58 -12.783 -1.522 -5.550 470 HB3 ASP 58 HB3 ASP 58 -13.802 -1.483 -6.962 471 H TYR 59 H TYR 59 -10.653 -3.133 -5.955 472 HA TYR 59 HA TYR 59 -9.754 -2.696 -8.695 473 HB2 TYR 59 HB2 TYR 59 -8.472 -2.447 -6.020 474 HB3 TYR 59 HB3 TYR 59 -7.445 -2.718 -7.403 475 HD1 TYR 59 HD2 TYR 59 -7.364 -1.170 -9.304 476 HD2 TYR 59 HD1 TYR 59 -9.462 -0.231 -5.661 477 HE1 TYR 59 HE2 TYR 59 -7.115 1.265 -9.797 478 HE2 TYR 59 HE1 TYR 59 -9.207 2.219 -6.161 479 HH TYR 59 HH TYR 59 -7.324 3.373 -8.957 480 H ASN 60 H ASN 60 -10.727 -5.444 -7.461 481 HA ASN 60 HA ASN 60 -10.219 -7.616 -7.502 482 HB2 ASN 60 HB2 ASN 60 -8.686 -6.917 -10.027 483 HB3 ASN 60 HB3 ASN 60 -9.137 -8.545 -9.530 484 HD21 ASN 60 1HD2 ASN 60 -9.923 -7.022 -11.962 485 HD22 ASN 60 2HD2 ASN 60 -11.681 -7.069 -11.919 486 H ILE 61 H ILE 61 -8.798 -6.283 -5.621 487 HA ILE 61 HA ILE 61 -6.115 -7.584 -5.574 488 HB ILE 61 HB ILE 61 -7.242 -5.569 -3.601 489 HG12 ILE 61 2HG1 ILE 61 -5.439 -5.045 -5.994 490 HG13 ILE 61 3HG1 ILE 61 -7.104 -4.519 -5.825 491 HG21 ILE 61 1HG2 ILE 61 -4.374 -6.478 -4.109 492 HG22 ILE 61 2HG2 ILE 61 -4.932 -5.376 -2.834 493 HG23 ILE 61 3HG2 ILE 61 -5.403 -7.065 -2.781 494 HD11 ILE 61 3HD1 ILE 61 -4.779 -3.532 -4.136 495 HD12 ILE 61 1HD1 ILE 61 -5.648 -2.655 -5.403 496 HD13 ILE 61 2HD1 ILE 61 -6.494 -3.090 -3.909 497 H GLN 62 H GLN 62 -6.245 -9.622 -4.869 498 HA GLN 62 HA GLN 62 -8.243 -10.480 -2.894 499 HB2 GLN 62 HB2 GLN 62 -6.099 -12.134 -4.295 500 HB3 GLN 62 HB3 GLN 62 -7.517 -12.716 -3.439 501 HG2 GLN 62 HG2 GLN 62 -8.077 -12.958 -5.702 502 HG3 GLN 62 HG3 GLN 62 -8.967 -11.535 -5.168 503 HE21 GLN 62 1HE2 GLN 62 -9.071 -11.066 -7.605 504 HE22 GLN 62 2HE2 GLN 62 -7.680 -10.104 -8.147 505 H LYS 63 H LYS 63 -7.438 -12.211 -1.300 506 HA LYS 63 HA LYS 63 -5.566 -11.179 0.610 507 HB2 LYS 63 HB2 LYS 63 -5.935 -13.288 1.802 508 HB3 LYS 63 HB3 LYS 63 -7.450 -12.632 1.218 509 HG2 LYS 63 HG2 LYS 63 -7.410 -14.165 -0.748 510 HG3 LYS 63 HG3 LYS 63 -5.951 -14.920 -0.138 511 HD2 LYS 63 HD2 LYS 63 -8.676 -14.842 1.224 512 HD3 LYS 63 HD3 LYS 63 -8.010 -16.215 0.355 513 HE2 LYS 63 HE2 LYS 63 -6.887 -15.020 2.927 514 HE3 LYS 63 HE3 LYS 63 -7.890 -16.466 2.817 515 HZ1 LYS 63 HZ1 LYS 63 -5.526 -16.987 2.966 516 HZ2 LYS 63 HZ2 LYS 63 -5.196 -16.141 1.618 517 HZ3 LYS 63 HZ3 LYS 63 -6.115 -17.502 1.506 518 H GLU 64 H GLU 64 -3.570 -11.811 1.199 519 HA GLU 64 HA GLU 64 -1.398 -11.984 0.864 520 HB2 GLU 64 HB2 GLU 64 -2.105 -14.562 -0.582 521 HB3 GLU 64 HB3 GLU 64 -0.471 -14.039 -0.224 522 HG2 GLU 64 HG2 GLU 64 -0.717 -15.274 1.598 523 HG3 GLU 64 HG3 GLU 64 -1.321 -13.767 2.257 524 H SER 65 H SER 65 -3.058 -10.680 -1.471 525 HA SER 65 HA SER 65 -1.379 -10.816 -3.742 526 HB2 SER 65 HB2 SER 65 -3.688 -10.035 -3.806 527 HB3 SER 65 HB3 SER 65 -3.237 -8.581 -2.894 528 HG SER 65 HG SER 65 -3.316 -8.394 -5.249 529 H THR 66 H THR 66 0.177 -9.568 -4.589 530 HA THR 66 HA THR 66 1.784 -7.923 -2.744 531 HB THR 66 HB THR 66 2.823 -8.790 -5.417 532 HG1 THR 66 HG1 THR 66 2.683 -10.719 -4.798 533 HG21 THR 66 1HG2 THR 66 4.145 -7.152 -4.142 534 HG22 THR 66 2HG2 THR 66 4.977 -8.711 -4.243 535 HG23 THR 66 3HG2 THR 66 4.156 -8.242 -2.736 536 H LEU 67 H LEU 67 1.141 -5.896 -2.659 537 HA LEU 67 HA LEU 67 0.784 -4.270 -5.094 538 HB2 LEU 67 HB2 LEU 67 1.106 -3.484 -2.160 539 HB3 LEU 67 HB3 LEU 67 0.849 -2.385 -3.503 540 HG LEU 67 HG LEU 67 -1.260 -4.047 -3.937 541 HD11 LEU 67 1HD1 LEU 67 -0.880 -5.444 -1.931 542 HD12 LEU 67 2HD1 LEU 67 -2.381 -4.525 -1.793 543 HD13 LEU 67 3HD1 LEU 67 -0.929 -3.999 -0.904 544 HD21 LEU 67 3HD2 LEU 67 -2.637 -2.343 -2.817 545 HD22 LEU 67 1HD2 LEU 67 -1.307 -1.589 -3.716 546 HD23 LEU 67 2HD2 LEU 67 -1.207 -1.737 -1.945 547 H HIS 68 H HIS 68 2.257 -2.660 -5.739 548 HA HIS 68 HA HIS 68 5.102 -2.841 -4.827 549 HB2 HIS 68 HB2 HIS 68 3.995 -1.872 -7.475 550 HB3 HIS 68 HB3 HIS 68 5.632 -1.662 -6.942 551 HD1 HIS 68 HD1 HIS 68 3.626 -5.016 -7.110 552 HD2 HIS 68 HD2 HIS 68 7.238 -3.179 -8.155 553 HE1 HIS 68 HE1 HIS 68 5.061 -6.798 -8.227 554 H LEU 69 H LEU 69 6.220 -1.057 -4.847 555 HA LEU 69 HA LEU 69 4.552 1.289 -4.155 556 HB2 LEU 69 HB2 LEU 69 5.854 0.231 -2.308 557 HB3 LEU 69 HB3 LEU 69 7.306 0.562 -3.229 558 HG LEU 69 HG LEU 69 6.961 2.992 -2.917 559 HD11 LEU 69 1HD1 LEU 69 5.257 3.670 -1.199 560 HD12 LEU 69 2HD1 LEU 69 4.647 2.017 -1.185 561 HD13 LEU 69 3HD1 LEU 69 4.502 3.000 -2.647 562 HD21 LEU 69 3HD2 LEU 69 6.991 1.316 -0.397 563 HD22 LEU 69 1HD2 LEU 69 7.490 3.018 -0.524 564 HD23 LEU 69 2HD2 LEU 69 8.389 1.776 -1.399 565 H VAL 70 H VAL 70 5.205 3.299 -4.786 566 HA VAL 70 HA VAL 70 7.981 3.440 -5.690 567 HB VAL 70 HB VAL 70 6.072 5.443 -6.866 568 HG11 VAL 70 1HG1 VAL 70 7.984 5.506 -8.652 569 HG12 VAL 70 2HG1 VAL 70 8.268 6.384 -7.195 570 HG13 VAL 70 3HG1 VAL 70 8.976 4.747 -7.421 571 HG21 VAL 70 3HG2 VAL 70 6.170 4.288 -9.011 572 HG22 VAL 70 1HG2 VAL 70 7.032 2.937 -8.228 573 HG23 VAL 70 2HG2 VAL 70 5.366 3.345 -7.763 574 H LEU 71 H LEU 71 8.954 5.485 -5.485 575 HA LEU 71 HA LEU 71 8.213 7.382 -3.504 576 HB2 LEU 71 HB2 LEU 71 10.178 7.070 -5.529 577 HB3 LEU 71 HB3 LEU 71 9.465 8.595 -5.817 578 HG LEU 71 HG LEU 71 11.609 8.298 -4.423 579 HD11 LEU 71 1HD1 LEU 71 9.497 10.210 -3.402 580 HD12 LEU 71 2HD1 LEU 71 10.577 10.444 -4.797 581 HD13 LEU 71 3HD1 LEU 71 11.249 10.326 -3.176 582 HD21 LEU 71 3HD2 LEU 71 9.726 8.007 -2.062 583 HD22 LEU 71 1HD2 LEU 71 11.489 8.120 -2.063 584 HD23 LEU 71 2HD2 LEU 71 10.707 6.691 -2.744 585 H ARG 72 H ARG 72 7.725 9.477 -3.788 586 HA ARG 72 HA ARG 72 5.600 10.140 -5.683 587 HB2 ARG 72 HB2 ARG 72 5.553 10.889 -3.356 588 HB3 ARG 72 HB3 ARG 72 7.011 11.853 -3.612 589 HG2 ARG 72 HG2 ARG 72 5.818 13.283 -5.222 590 HG3 ARG 72 HG3 ARG 72 4.384 12.242 -5.127 591 HD2 ARG 72 HD2 ARG 72 4.245 12.721 -2.679 592 HD3 ARG 72 HD3 ARG 72 5.611 13.831 -2.832 593 HE ARG 72 HE ARG 72 4.239 15.299 -4.232 594 HH11 ARG 72 1HH1 ARG 72 2.305 12.964 -2.365 595 HH12 ARG 72 2HH1 ARG 72 1.302 14.286 -1.864 596 HH21 ARG 72 1HH2 ARG 72 2.597 16.558 -4.052 597 HH22 ARG 72 2HH2 ARG 72 1.081 15.999 -3.366 598 H LEU 73 H LEU 73 8.688 11.897 -5.114 599 HA LEU 73 HA LEU 73 8.392 13.122 -7.749 600 HB2 LEU 73 HB2 LEU 73 8.944 14.209 -5.455 601 HB3 LEU 73 HB3 LEU 73 10.598 13.702 -5.751 602 HG LEU 73 HG LEU 73 8.961 15.492 -7.622 603 HD11 LEU 73 1HD1 LEU 73 11.000 16.282 -5.497 604 HD12 LEU 73 2HD1 LEU 73 9.241 16.527 -5.392 605 HD13 LEU 73 3HD1 LEU 73 10.171 17.378 -6.623 606 HD21 LEU 73 3HD2 LEU 73 11.954 14.896 -7.489 607 HD22 LEU 73 1HD2 LEU 73 11.268 16.280 -8.355 608 HD23 LEU 73 2HD2 LEU 73 10.855 14.670 -8.876 609 H ARG 74 H ARG 74 9.637 12.848 -9.499 610 HA ARG 74 HA ARG 74 11.351 10.546 -9.790 611 HB2 ARG 74 HB2 ARG 74 11.373 11.152 -12.138 612 HB3 ARG 74 HB3 ARG 74 9.750 11.266 -11.486 613 HG2 ARG 74 HG2 ARG 74 10.113 13.810 -11.302 614 HG3 ARG 74 HG3 ARG 74 11.609 13.569 -12.194 615 HD2 ARG 74 HD2 ARG 74 10.463 13.803 -14.066 616 HD3 ARG 74 HD3 ARG 74 9.766 12.222 -13.794 617 HE ARG 74 HE ARG 74 8.542 14.892 -13.229 618 HH11 ARG 74 1HH1 ARG 74 7.946 11.472 -13.687 619 HH12 ARG 74 2HH1 ARG 74 6.218 11.664 -13.468 620 HH21 ARG 74 1HH2 ARG 74 6.354 15.069 -13.086 621 HH22 ARG 74 2HH2 ARG 74 5.352 13.648 -13.309 622 H GLY 75 H GLY 75 12.716 12.040 -7.851 623 HA2 GLY 75 HA2 GLY 75 15.301 12.533 -9.156 624 HA3 GLY 75 HA3 GLY 75 14.448 14.028 -8.769 625 H GLY 76 H GLY 76 14.624 11.138 -6.524 626 HA2 GLY 76 HA2 GLY 76 17.012 11.902 -5.252 627 HA3 GLY 76 HA3 GLY 76 15.726 12.716 -4.358 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -7.712 -9.515 7.576 2 H2 MET 1 H2 MET 1 -7.251 -11.030 8.063 3 H3 MET 1 H3 MET 1 -8.681 -10.822 7.296 4 HA MET 1 HA MET 1 -6.991 -11.760 5.791 5 HB2 MET 1 HB2 MET 1 -8.863 -10.358 4.923 6 HB3 MET 1 HB3 MET 1 -7.821 -8.921 5.021 7 HG2 MET 1 HG2 MET 1 -6.274 -9.877 3.404 8 HG3 MET 1 HG3 MET 1 -7.062 -11.450 3.537 9 HE1 MET 1 HE1 MET 1 -7.680 -7.699 2.517 10 HE2 MET 1 HE2 MET 1 -6.680 -8.475 1.264 11 HE3 MET 1 HE3 MET 1 -8.326 -7.947 0.879 12 H GLN 2 H GLN 2 -4.858 -12.014 5.865 13 HA GLN 2 HA GLN 2 -3.063 -9.749 6.517 14 HB2 GLN 2 HB2 GLN 2 -2.733 -12.001 7.439 15 HB3 GLN 2 HB3 GLN 2 -2.506 -12.652 5.821 16 HG2 GLN 2 HG2 GLN 2 -0.439 -11.453 5.518 17 HG3 GLN 2 HG3 GLN 2 -0.751 -10.453 6.956 18 HE21 GLN 2 1HE2 GLN 2 -0.593 -11.515 9.141 19 HE22 GLN 2 2HE2 GLN 2 0.234 -13.066 9.236 20 H ILE 3 H ILE 3 -1.731 -8.735 5.080 21 HA ILE 3 HA ILE 3 -1.534 -9.608 2.262 22 HB ILE 3 HB ILE 3 -1.947 -7.381 1.364 23 HG12 ILE 3 2HG1 ILE 3 -2.889 -6.577 4.154 24 HG13 ILE 3 3HG1 ILE 3 -1.423 -6.018 3.342 25 HG21 ILE 3 1HG2 ILE 3 -3.774 -9.101 1.480 26 HG22 ILE 3 2HG2 ILE 3 -4.402 -8.270 2.920 27 HG23 ILE 3 3HG2 ILE 3 -4.344 -7.442 1.349 28 HD11 ILE 3 3HD1 ILE 3 -2.794 -4.953 1.570 29 HD12 ILE 3 1HD1 ILE 3 -4.263 -5.416 2.458 30 HD13 ILE 3 2HD1 ILE 3 -3.103 -4.304 3.194 31 H PHE 4 H PHE 4 0.258 -8.583 1.148 32 HA PHE 4 HA PHE 4 2.443 -7.924 3.049 33 HB2 PHE 4 HB2 PHE 4 2.474 -9.654 0.562 34 HB3 PHE 4 HB3 PHE 4 3.881 -9.235 1.519 35 HD1 PHE 4 HD1 PHE 4 3.741 -9.823 4.131 36 HD2 PHE 4 HD2 PHE 4 1.367 -11.676 1.035 37 HE1 PHE 4 HE1 PHE 4 3.345 -11.791 5.597 38 HE2 PHE 4 HE2 PHE 4 0.993 -13.641 2.510 39 HZ PHE 4 HZ PHE 4 1.953 -13.687 4.798 40 H VAL 5 H VAL 5 4.063 -6.447 2.479 41 HA VAL 5 HA VAL 5 3.812 -5.155 -0.194 42 HB VAL 5 HB VAL 5 4.780 -3.579 2.168 43 HG11 VAL 5 1HG1 VAL 5 3.683 -2.755 -0.550 44 HG12 VAL 5 2HG1 VAL 5 4.283 -1.675 0.731 45 HG13 VAL 5 3HG1 VAL 5 5.397 -2.767 -0.077 46 HG21 VAL 5 3HG2 VAL 5 2.483 -4.143 2.755 47 HG22 VAL 5 1HG2 VAL 5 2.576 -2.456 2.242 48 HG23 VAL 5 2HG2 VAL 5 1.924 -3.682 1.131 49 H LYS 6 H LYS 6 5.582 -4.969 -1.441 50 HA LYS 6 HA LYS 6 8.165 -6.079 -0.422 51 HB2 LYS 6 HB2 LYS 6 7.511 -7.080 -2.500 52 HB3 LYS 6 HB3 LYS 6 6.973 -5.539 -3.164 53 HG2 LYS 6 HG2 LYS 6 8.996 -6.197 -4.275 54 HG3 LYS 6 HG3 LYS 6 9.235 -4.717 -3.357 55 HD2 LYS 6 HD2 LYS 6 10.232 -6.251 -1.488 56 HD3 LYS 6 HD3 LYS 6 10.093 -7.597 -2.612 57 HE2 LYS 6 HE2 LYS 6 11.815 -5.104 -2.969 58 HE3 LYS 6 HE3 LYS 6 12.382 -6.647 -2.383 59 HZ1 LYS 6 HZ1 LYS 6 12.009 -7.611 -4.519 60 HZ2 LYS 6 HZ2 LYS 6 12.850 -6.216 -4.720 61 HZ3 LYS 6 HZ3 LYS 6 11.252 -6.249 -5.084 62 H THR 7 H THR 7 9.642 -4.631 0.335 63 HA THR 7 HA THR 7 9.346 -1.789 -0.337 64 HB THR 7 HB THR 7 10.916 -1.251 1.229 65 HG1 THR 7 HG1 THR 7 11.971 -3.871 1.059 66 HG21 THR 7 1HG2 THR 7 9.041 -2.381 2.402 67 HG22 THR 7 2HG2 THR 7 10.585 -2.484 3.269 68 HG23 THR 7 3HG2 THR 7 9.969 -3.899 2.398 69 H LEU 8 H LEU 8 11.905 -0.783 -0.662 70 HA LEU 8 HA LEU 8 12.533 -1.583 -3.427 71 HB2 LEU 8 HB2 LEU 8 13.937 0.374 -1.554 72 HB3 LEU 8 HB3 LEU 8 14.334 0.077 -3.240 73 HG LEU 8 HG LEU 8 11.607 0.599 -3.427 74 HD11 LEU 8 1HD1 LEU 8 11.541 1.312 -1.020 75 HD12 LEU 8 2HD1 LEU 8 11.149 2.618 -2.143 76 HD13 LEU 8 3HD1 LEU 8 12.757 2.554 -1.388 77 HD21 LEU 8 3HD2 LEU 8 12.263 2.790 -4.325 78 HD22 LEU 8 1HD2 LEU 8 13.337 1.506 -4.899 79 HD23 LEU 8 2HD2 LEU 8 13.885 2.606 -3.615 80 H THR 9 H THR 9 13.600 -2.512 -0.229 81 HA THR 9 HA THR 9 15.689 -4.235 -1.403 82 HB THR 9 HB THR 9 16.869 -4.409 0.467 83 HG1 THR 9 HG1 THR 9 16.001 -3.893 2.544 84 HG21 THR 9 1HG2 THR 9 16.824 -1.969 -0.174 85 HG22 THR 9 2HG2 THR 9 17.225 -2.278 1.519 86 HG23 THR 9 3HG2 THR 9 15.598 -1.713 1.093 87 H GLY 10 H GLY 10 15.882 -6.473 -0.320 88 HA2 GLY 10 HA2 GLY 10 13.624 -7.987 -1.106 89 HA3 GLY 10 HA3 GLY 10 15.031 -8.586 -0.249 90 H LYS 11 H LYS 11 13.526 -6.198 1.636 91 HA LYS 11 HA LYS 11 12.338 -8.106 3.517 92 HB2 LYS 11 HB2 LYS 11 12.834 -5.144 3.422 93 HB3 LYS 11 HB3 LYS 11 11.500 -5.675 4.420 94 HG2 LYS 11 HG2 LYS 11 14.110 -7.138 4.788 95 HG3 LYS 11 HG3 LYS 11 14.024 -5.461 5.328 96 HD2 LYS 11 HD2 LYS 11 12.039 -5.962 6.711 97 HD3 LYS 11 HD3 LYS 11 12.118 -7.669 6.231 98 HE2 LYS 11 HE2 LYS 11 14.237 -7.968 7.349 99 HE3 LYS 11 HE3 LYS 11 14.452 -6.226 7.559 100 HZ1 LYS 11 HZ1 LYS 11 13.678 -7.298 9.633 101 HZ2 LYS 11 HZ2 LYS 11 12.309 -7.810 8.908 102 HZ3 LYS 11 HZ3 LYS 11 12.567 -6.230 9.119 103 H THR 12 H THR 12 10.348 -8.658 3.781 104 HA THR 12 HA THR 12 8.188 -7.449 2.159 105 HB THR 12 HB THR 12 8.071 -10.225 3.302 106 HG1 THR 12 HG1 THR 12 8.599 -10.845 1.158 107 HG21 THR 12 1HG2 THR 12 6.383 -10.536 1.528 108 HG22 THR 12 2HG2 THR 12 6.583 -8.837 1.028 109 HG23 THR 12 3HG2 THR 12 5.921 -9.234 2.634 110 H ILE 13 H ILE 13 6.988 -6.087 3.234 111 HA ILE 13 HA ILE 13 6.732 -6.147 6.151 112 HB ILE 13 HB ILE 13 5.157 -4.463 4.186 113 HG12 ILE 13 2HG1 ILE 13 7.484 -4.100 3.593 114 HG13 ILE 13 3HG1 ILE 13 6.784 -2.699 4.351 115 HG21 ILE 13 1HG2 ILE 13 5.115 -2.836 6.103 116 HG22 ILE 13 2HG2 ILE 13 4.237 -4.333 6.403 117 HG23 ILE 13 3HG2 ILE 13 5.840 -4.092 7.125 118 HD11 ILE 13 3HD1 ILE 13 9.086 -3.076 5.150 119 HD12 ILE 13 1HD1 ILE 13 7.961 -3.272 6.497 120 HD13 ILE 13 2HD1 ILE 13 8.661 -4.702 5.704 121 H THR 14 H THR 14 4.946 -6.780 7.322 122 HA THR 14 HA THR 14 2.723 -8.145 5.857 123 HB THR 14 HB THR 14 3.714 -8.793 8.638 124 HG1 THR 14 HG1 THR 14 5.234 -9.356 7.063 125 HG21 THR 14 1HG2 THR 14 1.380 -9.450 8.321 126 HG22 THR 14 2HG2 THR 14 2.414 -10.888 8.250 127 HG23 THR 14 3HG2 THR 14 1.776 -10.185 6.747 128 H LEU 15 H LEU 15 0.709 -7.405 6.089 129 HA LEU 15 HA LEU 15 0.120 -5.502 8.324 130 HB2 LEU 15 HB2 LEU 15 -0.792 -5.393 5.438 131 HB3 LEU 15 HB3 LEU 15 -1.367 -4.312 6.704 132 HG LEU 15 HG LEU 15 1.537 -4.513 5.808 133 HD11 LEU 15 1HD1 LEU 15 -0.562 -2.407 5.154 134 HD12 LEU 15 2HD1 LEU 15 0.061 -3.635 4.029 135 HD13 LEU 15 3HD1 LEU 15 1.148 -2.392 4.660 136 HD21 LEU 15 3HD2 LEU 15 1.820 -2.391 7.030 137 HD22 LEU 15 1HD2 LEU 15 1.323 -3.675 8.118 138 HD23 LEU 15 2HD2 LEU 15 0.129 -2.469 7.583 139 H GLU 16 H GLU 16 -2.042 -5.235 8.902 140 HA GLU 16 HA GLU 16 -3.550 -7.815 8.959 141 HB2 GLU 16 HB2 GLU 16 -1.919 -7.405 10.790 142 HB3 GLU 16 HB3 GLU 16 -2.836 -5.988 11.296 143 HG2 GLU 16 HG2 GLU 16 -4.703 -7.350 11.981 144 HG3 GLU 16 HG3 GLU 16 -4.083 -8.755 11.103 145 H VAL 17 H VAL 17 -5.292 -7.300 7.738 146 HA VAL 17 HA VAL 17 -6.883 -4.873 8.371 147 HB VAL 17 HB VAL 17 -6.960 -4.126 6.171 148 HG11 VAL 17 1HG1 VAL 17 -4.702 -3.606 5.558 149 HG12 VAL 17 2HG1 VAL 17 -4.791 -3.622 7.324 150 HG13 VAL 17 3HG1 VAL 17 -4.060 -4.991 6.458 151 HG21 VAL 17 3HG2 VAL 17 -7.223 -6.197 4.922 152 HG22 VAL 17 1HG2 VAL 17 -5.899 -5.245 4.252 153 HG23 VAL 17 2HG2 VAL 17 -5.532 -6.648 5.267 154 H GLU 18 H GLU 18 -9.024 -4.757 7.426 155 HA GLU 18 HA GLU 18 -10.357 -7.421 7.311 156 HB2 GLU 18 HB2 GLU 18 -11.365 -4.596 7.699 157 HB3 GLU 18 HB3 GLU 18 -12.450 -5.914 7.250 158 HG2 GLU 18 HG2 GLU 18 -12.409 -6.871 9.295 159 HG3 GLU 18 HG3 GLU 18 -10.683 -6.664 9.492 160 HA PRO 19 HA PRO 19 -10.514 -7.052 2.794 161 HB2 PRO 19 HB2 PRO 19 -12.717 -8.550 2.178 162 HB3 PRO 19 HB3 PRO 19 -11.180 -9.275 2.733 163 HG2 PRO 19 HG2 PRO 19 -13.638 -8.635 4.396 164 HG3 PRO 19 HG3 PRO 19 -12.712 -10.172 4.338 165 HD2 PRO 19 HD2 PRO 19 -12.285 -8.318 6.285 166 HD3 PRO 19 HD3 PRO 19 -10.923 -9.244 5.582 167 H SER 20 H SER 20 -12.988 -5.974 4.930 168 HA SER 20 HA SER 20 -14.393 -4.328 2.921 169 HB2 SER 20 HB2 SER 20 -15.606 -5.527 4.782 170 HB3 SER 20 HB3 SER 20 -14.785 -4.453 5.933 171 HG SER 20 HG SER 20 -15.686 -2.700 4.618 172 H ASP 21 H ASP 21 -11.415 -3.970 4.481 173 HA ASP 21 HA ASP 21 -11.627 -1.191 5.179 174 HB2 ASP 21 HB2 ASP 21 -9.265 -2.980 4.700 175 HB3 ASP 21 HB3 ASP 21 -9.082 -1.252 4.728 176 H THR 22 H THR 22 -11.403 0.607 4.134 177 HA THR 22 HA THR 22 -11.434 0.669 1.241 178 HB THR 22 HB THR 22 -11.819 2.905 1.276 179 HG1 THR 22 HG1 THR 22 -11.280 3.502 3.859 180 HG21 THR 22 1HG2 THR 22 -12.957 2.124 3.997 181 HG22 THR 22 2HG2 THR 22 -13.712 1.745 2.431 182 HG23 THR 22 3HG2 THR 22 -13.500 3.434 2.929 183 H ILE 23 H ILE 23 -9.943 1.911 -0.107 184 HA ILE 23 HA ILE 23 -7.187 1.240 0.350 185 HB ILE 23 HB ILE 23 -8.463 3.284 -1.508 186 HG12 ILE 23 2HG1 ILE 23 -9.252 1.209 -2.255 187 HG13 ILE 23 3HG1 ILE 23 -7.871 1.560 -3.269 188 HG21 ILE 23 1HG2 ILE 23 -6.161 3.915 -1.235 189 HG22 ILE 23 2HG2 ILE 23 -5.613 2.230 -1.459 190 HG23 ILE 23 3HG2 ILE 23 -6.340 3.135 -2.802 191 HD11 ILE 23 3HD1 ILE 23 -7.811 -0.778 -2.708 192 HD12 ILE 23 1HD1 ILE 23 -6.464 0.003 -1.865 193 HD13 ILE 23 2HD1 ILE 23 -7.948 -0.444 -0.982 194 H GLU 24 H GLU 24 -9.044 4.102 1.334 195 HA GLU 24 HA GLU 24 -6.650 5.520 2.291 196 HB2 GLU 24 HB2 GLU 24 -8.354 7.053 3.390 197 HB3 GLU 24 HB3 GLU 24 -8.207 7.016 1.638 198 HG2 GLU 24 HG2 GLU 24 -10.237 5.462 1.586 199 HG3 GLU 24 HG3 GLU 24 -10.464 5.888 3.296 200 H ASN 25 H ASN 25 -9.106 3.371 3.837 201 HA ASN 25 HA ASN 25 -8.272 3.569 6.482 202 HB2 ASN 25 HB2 ASN 25 -9.289 1.217 4.898 203 HB3 ASN 25 HB3 ASN 25 -8.903 1.136 6.620 204 HD21 ASN 25 1HD2 ASN 25 -10.911 0.603 7.199 205 HD22 ASN 25 2HD2 ASN 25 -12.237 1.805 7.211 206 H VAL 26 H VAL 26 -7.031 1.332 3.991 207 HA VAL 26 HA VAL 26 -4.993 0.210 5.703 208 HB VAL 26 HB VAL 26 -5.162 0.209 2.678 209 HG11 VAL 26 1HG1 VAL 26 -3.551 -1.567 4.581 210 HG12 VAL 26 2HG1 VAL 26 -3.750 -1.848 2.834 211 HG13 VAL 26 3HG1 VAL 26 -2.887 -0.417 3.396 212 HG21 VAL 26 3HG2 VAL 26 -6.025 -2.176 3.168 213 HG22 VAL 26 1HG2 VAL 26 -6.227 -1.669 4.845 214 HG23 VAL 26 2HG2 VAL 26 -7.133 -0.863 3.548 215 H LYS 27 H LYS 27 -4.918 2.873 3.325 216 HA LYS 27 HA LYS 27 -2.074 3.406 3.641 217 HB2 LYS 27 HB2 LYS 27 -4.420 4.790 2.372 218 HB3 LYS 27 HB3 LYS 27 -3.005 5.756 2.725 219 HG2 LYS 27 HG2 LYS 27 -1.637 4.689 1.249 220 HG3 LYS 27 HG3 LYS 27 -2.416 3.125 1.435 221 HD2 LYS 27 HD2 LYS 27 -2.554 4.253 -0.841 222 HD3 LYS 27 HD3 LYS 27 -4.015 3.524 -0.179 223 HE2 LYS 27 HE2 LYS 27 -5.027 5.585 0.298 224 HE3 LYS 27 HE3 LYS 27 -3.502 6.465 0.275 225 HZ1 LYS 27 HZ1 LYS 27 -3.426 6.288 -2.100 226 HZ2 LYS 27 HZ2 LYS 27 -4.840 6.891 -1.707 227 HZ3 LYS 27 HZ3 LYS 27 -4.723 5.307 -2.192 228 H ALA 28 H ALA 28 -4.657 4.042 5.801 229 HA ALA 28 HA ALA 28 -2.862 5.778 7.443 230 HB1 ALA 28 HB1 ALA 28 -4.766 5.883 8.990 231 HB2 ALA 28 HB2 ALA 28 -5.260 6.334 7.347 232 HB3 ALA 28 HB3 ALA 28 -5.678 4.734 7.990 233 H LYS 29 H LYS 29 -4.474 2.547 7.770 234 HA LYS 29 HA LYS 29 -3.279 1.675 10.163 235 HB2 LYS 29 HB2 LYS 29 -4.118 0.166 7.667 236 HB3 LYS 29 HB3 LYS 29 -3.447 -0.679 9.054 237 HG2 LYS 29 HG2 LYS 29 -5.230 -0.020 10.497 238 HG3 LYS 29 HG3 LYS 29 -5.883 1.107 9.291 239 HD2 LYS 29 HD2 LYS 29 -6.614 -0.629 7.859 240 HD3 LYS 29 HD3 LYS 29 -5.612 -1.852 8.638 241 HE2 LYS 29 HE2 LYS 29 -7.919 -0.508 10.091 242 HE3 LYS 29 HE3 LYS 29 -8.157 -1.893 9.032 243 HZ1 LYS 29 HZ1 LYS 29 -7.875 -2.683 11.245 244 HZ2 LYS 29 HZ2 LYS 29 -6.470 -1.894 11.495 245 HZ3 LYS 29 HZ3 LYS 29 -6.532 -3.131 10.420 246 H ILE 30 H ILE 30 -1.758 1.689 6.981 247 HA ILE 30 HA ILE 30 0.476 0.073 7.652 248 HB ILE 30 HB ILE 30 -0.305 0.780 5.357 249 HG12 ILE 30 2HG1 ILE 30 2.658 1.169 5.929 250 HG13 ILE 30 3HG1 ILE 30 1.847 -0.389 5.897 251 HG21 ILE 30 1HG2 ILE 30 -0.405 3.254 5.840 252 HG22 ILE 30 2HG2 ILE 30 1.371 3.267 5.780 253 HG23 ILE 30 3HG2 ILE 30 0.430 2.821 4.348 254 HD11 ILE 30 3HD1 ILE 30 1.149 0.004 3.529 255 HD12 ILE 30 1HD1 ILE 30 2.153 1.477 3.517 256 HD13 ILE 30 2HD1 ILE 30 2.897 -0.114 3.761 257 H GLN 31 H GLN 31 -0.047 3.534 8.429 258 HA GLN 31 HA GLN 31 2.744 3.866 9.251 259 HB2 GLN 31 HB2 GLN 31 0.291 5.609 9.725 260 HB3 GLN 31 HB3 GLN 31 1.905 5.956 10.327 261 HG2 GLN 31 HG2 GLN 31 2.134 7.155 8.439 262 HG3 GLN 31 HG3 GLN 31 2.568 5.607 7.733 263 HE21 GLN 31 1HE2 GLN 31 1.535 5.409 5.695 264 HE22 GLN 31 2HE2 GLN 31 -0.142 5.959 5.466 265 H ASP 32 H ASP 32 -0.384 3.256 10.861 266 HA ASP 32 HA ASP 32 0.671 3.208 13.505 267 HB2 ASP 32 HB2 ASP 32 -1.526 3.786 13.337 268 HB3 ASP 32 HB3 ASP 32 -1.918 2.483 12.230 269 H LYS 33 H LYS 33 0.401 0.571 11.223 270 HA LYS 33 HA LYS 33 1.256 -1.405 13.201 271 HB2 LYS 33 HB2 LYS 33 -0.245 -1.613 11.033 272 HB3 LYS 33 HB3 LYS 33 1.275 -1.898 10.196 273 HG2 LYS 33 HG2 LYS 33 0.369 -3.466 12.670 274 HG3 LYS 33 HG3 LYS 33 -0.107 -3.917 11.036 275 HD2 LYS 33 HD2 LYS 33 2.207 -4.296 10.368 276 HD3 LYS 33 HD3 LYS 33 2.793 -3.774 11.937 277 HE2 LYS 33 HE2 LYS 33 1.017 -6.195 11.480 278 HE3 LYS 33 HE3 LYS 33 2.775 -6.222 11.685 279 HZ1 LYS 33 HZ1 LYS 33 1.783 -6.695 13.776 280 HZ2 LYS 33 HZ2 LYS 33 0.765 -5.438 13.718 281 HZ3 LYS 33 HZ3 LYS 33 2.388 -5.170 13.913 282 H GLU 34 H GLU 34 2.888 0.194 10.428 283 HA GLU 34 HA GLU 34 5.523 -0.864 11.510 284 HB2 GLU 34 HB2 GLU 34 4.623 -2.179 9.557 285 HB3 GLU 34 HB3 GLU 34 4.677 -0.744 8.584 286 HG2 GLU 34 HG2 GLU 34 6.579 -1.965 8.015 287 HG3 GLU 34 HG3 GLU 34 7.198 -0.655 8.976 288 H GLY 35 H GLY 35 3.991 1.819 9.666 289 HA2 GLY 35 HA2 GLY 35 4.725 4.059 10.084 290 HA3 GLY 35 HA3 GLY 35 6.331 3.495 10.432 291 H ILE 36 H ILE 36 4.266 2.941 7.525 292 HA ILE 36 HA ILE 36 6.405 4.183 5.833 293 HB ILE 36 HB ILE 36 4.128 2.404 4.958 294 HG12 ILE 36 2HG1 ILE 36 7.065 1.856 5.564 295 HG13 ILE 36 3HG1 ILE 36 5.657 1.102 6.311 296 HG21 ILE 36 1HG2 ILE 36 4.944 4.022 3.221 297 HG22 ILE 36 2HG2 ILE 36 6.574 3.325 3.409 298 HG23 ILE 36 3HG2 ILE 36 5.224 2.346 2.800 299 HD11 ILE 36 3HD1 ILE 36 6.667 0.640 3.484 300 HD12 ILE 36 1HD1 ILE 36 6.688 -0.477 4.849 301 HD13 ILE 36 2HD1 ILE 36 5.139 -0.012 4.124 302 HA PRO 37 HA PRO 37 3.205 7.464 5.909 303 HB2 PRO 37 HB2 PRO 37 4.779 9.668 5.919 304 HB3 PRO 37 HB3 PRO 37 4.635 8.613 7.354 305 HG2 PRO 37 HG2 PRO 37 6.790 8.548 5.201 306 HG3 PRO 37 HG3 PRO 37 7.015 8.645 6.983 307 HD2 PRO 37 HD2 PRO 37 7.110 6.261 5.673 308 HD3 PRO 37 HD3 PRO 37 6.344 6.426 7.290 309 HA PRO 38 HA PRO 38 2.916 8.477 1.590 310 HB2 PRO 38 HB2 PRO 38 1.396 10.754 1.548 311 HB3 PRO 38 HB3 PRO 38 0.751 9.159 2.050 312 HG2 PRO 38 HG2 PRO 38 1.803 11.384 3.836 313 HG3 PRO 38 HG3 PRO 38 0.244 10.499 3.973 314 HD2 PRO 38 HD2 PRO 38 2.420 9.783 5.432 315 HD3 PRO 38 HD3 PRO 38 1.318 8.544 4.759 316 H ASP 39 H ASP 39 4.392 10.878 3.748 317 HA ASP 39 HA ASP 39 5.205 12.826 1.884 318 HB2 ASP 39 HB2 ASP 39 6.771 11.993 4.344 319 HB3 ASP 39 HB3 ASP 39 6.692 13.577 3.622 320 H GLN 40 H GLN 40 6.385 9.607 2.141 321 HA GLN 40 HA GLN 40 9.039 10.311 0.906 322 HB2 GLN 40 HB2 GLN 40 8.903 9.693 3.415 323 HB3 GLN 40 HB3 GLN 40 8.467 8.082 2.886 324 HG2 GLN 40 HG2 GLN 40 10.779 7.986 3.309 325 HG3 GLN 40 HG3 GLN 40 10.674 8.035 1.563 326 HE21 GLN 40 1HE2 GLN 40 12.985 8.853 1.591 327 HE22 GLN 40 2HE2 GLN 40 13.225 10.541 1.986 328 H ASN 41 H ASN 41 6.320 8.029 0.829 329 HA ASN 41 HA ASN 41 7.358 6.619 -1.503 330 HB2 ASN 41 HB2 ASN 41 7.349 4.401 -0.054 331 HB3 ASN 41 HB3 ASN 41 8.758 5.408 -0.202 332 HD21 ASN 41 1HD2 ASN 41 6.064 6.226 2.096 333 HD22 ASN 41 2HD2 ASN 41 7.116 5.897 3.454 334 H ARG 42 H ARG 42 5.821 4.750 -2.185 335 HA ARG 42 HA ARG 42 3.014 5.256 -1.361 336 HB2 ARG 42 HB2 ARG 42 3.810 7.152 -2.809 337 HB3 ARG 42 HB3 ARG 42 4.068 6.007 -4.125 338 HG2 ARG 42 HG2 ARG 42 1.677 5.581 -4.300 339 HG3 ARG 42 HG3 ARG 42 1.359 6.465 -2.788 340 HD2 ARG 42 HD2 ARG 42 2.253 8.553 -3.828 341 HD3 ARG 42 HD3 ARG 42 2.541 7.675 -5.323 342 HE ARG 42 HE ARG 42 0.239 7.622 -5.807 343 HH11 ARG 42 1HH1 ARG 42 0.648 9.361 -2.786 344 HH12 ARG 42 2HH1 ARG 42 -0.655 10.457 -3.177 345 HH21 ARG 42 1HH2 ARG 42 -1.474 8.789 -6.100 346 HH22 ARG 42 2HH2 ARG 42 -2.005 9.964 -4.913 347 H LEU 43 H LEU 43 1.645 3.610 -1.843 348 HA LEU 43 HA LEU 43 2.857 1.069 -2.480 349 HB2 LEU 43 HB2 LEU 43 -0.031 1.867 -1.943 350 HB3 LEU 43 HB3 LEU 43 0.521 0.204 -2.080 351 HG LEU 43 HG LEU 43 1.559 2.138 0.035 352 HD11 LEU 43 1HD1 LEU 43 0.073 0.972 1.590 353 HD12 LEU 43 2HD1 LEU 43 -0.557 -0.044 0.274 354 HD13 LEU 43 3HD1 LEU 43 -0.872 1.703 0.287 355 HD21 LEU 43 3HD2 LEU 43 3.071 0.220 -0.465 356 HD22 LEU 43 1HD2 LEU 43 1.724 -0.904 -0.208 357 HD23 LEU 43 2HD2 LEU 43 2.342 0.076 1.139 358 H ILE 44 H ILE 44 2.881 -0.138 -4.207 359 HA ILE 44 HA ILE 44 0.938 0.404 -6.467 360 HB ILE 44 HB ILE 44 3.687 -0.868 -6.601 361 HG12 ILE 44 2HG1 ILE 44 3.977 1.484 -6.130 362 HG13 ILE 44 3HG1 ILE 44 4.484 1.098 -7.764 363 HG21 ILE 44 1HG2 ILE 44 1.743 -0.141 -8.826 364 HG22 ILE 44 2HG2 ILE 44 3.439 -0.579 -9.080 365 HG23 ILE 44 3HG2 ILE 44 2.332 -1.761 -8.390 366 HD11 ILE 44 3HD1 ILE 44 2.450 2.119 -8.701 367 HD12 ILE 44 1HD1 ILE 44 1.840 2.457 -7.068 368 HD13 ILE 44 2HD1 ILE 44 3.303 3.257 -7.650 369 H PHE 45 H PHE 45 -0.214 -1.341 -7.405 370 HA PHE 45 HA PHE 45 0.491 -4.061 -6.508 371 HB2 PHE 45 HB2 PHE 45 -1.137 -3.707 -4.944 372 HB3 PHE 45 HB3 PHE 45 -2.187 -2.869 -6.067 373 HD1 PHE 45 HD1 PHE 45 -0.905 -6.239 -5.125 374 HD2 PHE 45 HD2 PHE 45 -3.786 -4.015 -7.446 375 HE1 PHE 45 HE1 PHE 45 -2.168 -8.322 -5.568 376 HE2 PHE 45 HE2 PHE 45 -5.054 -6.102 -7.862 377 HZ PHE 45 HZ PHE 45 -4.253 -8.260 -6.929 378 H ALA 46 H ALA 46 0.642 -5.583 -7.983 379 HA ALA 46 HA ALA 46 0.997 -6.384 -10.068 380 HB1 ALA 46 HB1 ALA 46 -1.334 -7.039 -9.607 381 HB2 ALA 46 HB2 ALA 46 -1.904 -5.592 -10.468 382 HB3 ALA 46 HB3 ALA 46 -1.013 -6.854 -11.341 383 H GLY 47 H GLY 47 1.522 -3.440 -9.786 384 HA2 GLY 47 HA2 GLY 47 2.735 -2.038 -11.315 385 HA3 GLY 47 HA3 GLY 47 1.786 -2.687 -12.654 386 H LYS 48 H LYS 48 -0.715 -2.297 -10.759 387 HA LYS 48 HA LYS 48 -1.327 0.398 -11.751 388 HB2 LYS 48 HB2 LYS 48 -2.809 -1.849 -11.644 389 HB3 LYS 48 HB3 LYS 48 -3.258 -1.210 -10.063 390 HG2 LYS 48 HG2 LYS 48 -4.083 0.858 -11.134 391 HG3 LYS 48 HG3 LYS 48 -3.417 0.350 -12.689 392 HD2 LYS 48 HD2 LYS 48 -4.958 -1.686 -12.571 393 HD3 LYS 48 HD3 LYS 48 -5.780 -0.879 -11.203 394 HE2 LYS 48 HE2 LYS 48 -6.277 1.080 -12.664 395 HE3 LYS 48 HE3 LYS 48 -5.381 0.309 -13.981 396 HZ1 LYS 48 HZ1 LYS 48 -7.650 -0.134 -14.379 397 HZ2 LYS 48 HZ2 LYS 48 -7.896 -0.627 -12.851 398 HZ3 LYS 48 HZ3 LYS 48 -6.981 -1.560 -13.884 399 H GLN 49 H GLN 49 -1.921 2.140 -10.470 400 HA GLN 49 HA GLN 49 -0.817 2.254 -7.712 401 HB2 GLN 49 HB2 GLN 49 -0.387 4.018 -9.457 402 HB3 GLN 49 HB3 GLN 49 -2.114 4.413 -9.457 403 HG2 GLN 49 HG2 GLN 49 -1.943 5.061 -7.057 404 HG3 GLN 49 HG3 GLN 49 -0.229 4.630 -7.072 405 HE21 GLN 49 1HE2 GLN 49 -0.004 5.975 -9.933 406 HE22 GLN 49 2HE2 GLN 49 0.047 7.668 -9.486 407 H LEU 50 H LEU 50 -2.234 3.138 -5.964 408 HA LEU 50 HA LEU 50 -5.027 2.089 -6.149 409 HB2 LEU 50 HB2 LEU 50 -3.106 1.986 -3.801 410 HB3 LEU 50 HB3 LEU 50 -4.775 1.419 -3.805 411 HG LEU 50 HG LEU 50 -2.501 0.246 -5.476 412 HD11 LEU 50 1HD1 LEU 50 -2.312 -0.236 -3.075 413 HD12 LEU 50 2HD1 LEU 50 -2.769 -1.691 -3.979 414 HD13 LEU 50 3HD1 LEU 50 -3.998 -0.812 -3.045 415 HD21 LEU 50 3HD2 LEU 50 -4.608 -0.056 -6.672 416 HD22 LEU 50 1HD2 LEU 50 -5.422 -0.589 -5.185 417 HD23 LEU 50 2HD2 LEU 50 -4.157 -1.589 -5.932 418 H GLU 51 H GLU 51 -6.128 3.875 -6.518 419 HA GLU 51 HA GLU 51 -5.816 6.342 -4.950 420 HB2 GLU 51 HB2 GLU 51 -6.254 6.076 -7.479 421 HB3 GLU 51 HB3 GLU 51 -7.945 5.723 -7.012 422 HG2 GLU 51 HG2 GLU 51 -8.091 7.917 -5.889 423 HG3 GLU 51 HG3 GLU 51 -6.392 8.237 -6.248 424 H ASP 52 H ASP 52 -7.422 7.205 -3.680 425 HA ASP 52 HA ASP 52 -8.684 5.448 -1.877 426 HB2 ASP 52 HB2 ASP 52 -9.432 7.812 -0.894 427 HB3 ASP 52 HB3 ASP 52 -7.854 7.075 -0.706 428 H GLY 53 H GLY 53 -10.949 6.507 -0.839 429 HA2 GLY 53 HA2 GLY 53 -13.206 6.442 -1.017 430 HA3 GLY 53 HA3 GLY 53 -13.073 6.506 -2.773 431 H ARG 54 H ARG 54 -11.666 4.070 -3.260 432 HA ARG 54 HA ARG 54 -13.939 2.189 -2.902 433 HB2 ARG 54 HB2 ARG 54 -11.505 2.116 -4.711 434 HB3 ARG 54 HB3 ARG 54 -12.710 0.842 -4.631 435 HG2 ARG 54 HG2 ARG 54 -14.392 2.954 -4.984 436 HG3 ARG 54 HG3 ARG 54 -12.939 3.624 -5.724 437 HD2 ARG 54 HD2 ARG 54 -14.164 2.652 -7.470 438 HD3 ARG 54 HD3 ARG 54 -12.852 1.505 -7.162 439 HE ARG 54 HE ARG 54 -14.729 0.376 -5.628 440 HH11 ARG 54 1HH1 ARG 54 -15.468 1.829 -8.746 441 HH12 ARG 54 2HH1 ARG 54 -16.679 0.604 -9.096 442 HH21 ARG 54 1HH2 ARG 54 -16.207 -1.171 -6.224 443 HH22 ARG 54 2HH2 ARG 54 -17.172 -0.893 -7.664 444 H THR 55 H THR 55 -13.402 -0.214 -2.784 445 HA THR 55 HA THR 55 -11.964 -0.644 -0.255 446 HB THR 55 HB THR 55 -13.112 -2.554 0.127 447 HG1 THR 55 HG1 THR 55 -14.055 -3.776 -1.483 448 HG21 THR 55 1HG2 THR 55 -15.149 -1.076 -1.592 449 HG22 THR 55 2HG2 THR 55 -14.719 -0.626 0.076 450 HG23 THR 55 3HG2 THR 55 -15.467 -2.198 -0.259 451 H LEU 56 H LEU 56 -10.797 -2.731 0.142 452 HA LEU 56 HA LEU 56 -8.651 -3.284 -1.716 453 HB2 LEU 56 HB2 LEU 56 -9.959 -4.870 0.518 454 HB3 LEU 56 HB3 LEU 56 -8.492 -5.412 -0.295 455 HG LEU 56 HG LEU 56 -8.700 -2.798 1.277 456 HD11 LEU 56 1HD1 LEU 56 -7.332 -5.416 2.015 457 HD12 LEU 56 2HD1 LEU 56 -8.908 -4.881 2.647 458 HD13 LEU 56 3HD1 LEU 56 -7.466 -3.942 3.005 459 HD21 LEU 56 3HD2 LEU 56 -6.337 -4.267 0.030 460 HD22 LEU 56 1HD2 LEU 56 -6.199 -2.882 1.125 461 HD23 LEU 56 2HD2 LEU 56 -6.965 -2.668 -0.439 462 H SER 57 H SER 57 -11.703 -5.121 -1.048 463 HA SER 57 HA SER 57 -11.289 -7.101 -3.026 464 HB2 SER 57 HB2 SER 57 -13.681 -7.564 -2.764 465 HB3 SER 57 HB3 SER 57 -12.867 -7.384 -1.204 466 HG SER 57 HG SER 57 -14.973 -6.284 -1.537 467 H ASP 58 H ASP 58 -12.609 -3.850 -3.358 468 HA ASP 58 HA ASP 58 -13.604 -3.997 -6.028 469 HB2 ASP 58 HB2 ASP 58 -12.395 -1.761 -4.394 470 HB3 ASP 58 HB3 ASP 58 -12.856 -1.528 -6.051 471 H TYR 59 H TYR 59 -10.321 -3.129 -4.913 472 HA TYR 59 HA TYR 59 -9.239 -3.145 -7.598 473 HB2 TYR 59 HB2 TYR 59 -8.027 -2.707 -4.899 474 HB3 TYR 59 HB3 TYR 59 -7.016 -2.941 -6.311 475 HD1 TYR 59 HD1 TYR 59 -9.356 -0.659 -4.650 476 HD2 TYR 59 HD2 TYR 59 -6.841 -1.277 -8.094 477 HE1 TYR 59 HE1 TYR 59 -9.327 1.791 -5.068 478 HE2 TYR 59 HE2 TYR 59 -6.821 1.192 -8.509 479 HH TYR 59 HH TYR 59 -8.354 3.447 -6.198 480 H ASN 60 H ASN 60 -10.376 -5.680 -6.206 481 HA ASN 60 HA ASN 60 -10.078 -7.877 -6.181 482 HB2 ASN 60 HB2 ASN 60 -8.375 -7.268 -8.602 483 HB3 ASN 60 HB3 ASN 60 -8.626 -8.905 -8.045 484 HD21 ASN 60 1HD2 ASN 60 -10.975 -6.108 -8.381 485 HD22 ASN 60 2HD2 ASN 60 -12.054 -7.093 -9.350 486 H ILE 61 H ILE 61 -8.331 -6.216 -4.466 487 HA ILE 61 HA ILE 61 -5.811 -7.617 -4.163 488 HB ILE 61 HB ILE 61 -7.143 -5.656 -2.265 489 HG12 ILE 61 2HG1 ILE 61 -5.189 -5.206 -4.570 490 HG13 ILE 61 3HG1 ILE 61 -6.857 -4.673 -4.498 491 HG21 ILE 61 1HG2 ILE 61 -4.228 -6.482 -2.559 492 HG22 ILE 61 2HG2 ILE 61 -4.883 -5.369 -1.348 493 HG23 ILE 61 3HG2 ILE 61 -5.309 -7.075 -1.273 494 HD11 ILE 61 3HD1 ILE 61 -5.436 -2.795 -4.088 495 HD12 ILE 61 1HD1 ILE 61 -6.322 -3.172 -2.604 496 HD13 ILE 61 2HD1 ILE 61 -4.599 -3.616 -2.767 497 H GLN 62 H GLN 62 -6.062 -9.680 -3.789 498 HA GLN 62 HA GLN 62 -8.024 -10.841 -2.005 499 HB2 GLN 62 HB2 GLN 62 -7.061 -12.960 -2.752 500 HB3 GLN 62 HB3 GLN 62 -7.406 -11.900 -4.096 501 HG2 GLN 62 HG2 GLN 62 -4.657 -11.429 -3.277 502 HG3 GLN 62 HG3 GLN 62 -4.908 -13.161 -3.320 503 HE21 GLN 62 1HE2 GLN 62 -6.465 -10.766 -5.683 504 HE22 GLN 62 2HE2 GLN 62 -5.521 -11.438 -6.991 505 H LYS 63 H LYS 63 -7.342 -12.616 -0.431 506 HA LYS 63 HA LYS 63 -5.568 -11.618 1.638 507 HB2 LYS 63 HB2 LYS 63 -6.175 -13.558 2.869 508 HB3 LYS 63 HB3 LYS 63 -7.597 -13.130 1.935 509 HG2 LYS 63 HG2 LYS 63 -6.752 -14.836 0.143 510 HG3 LYS 63 HG3 LYS 63 -5.674 -15.417 1.424 511 HD2 LYS 63 HD2 LYS 63 -7.753 -15.757 2.866 512 HD3 LYS 63 HD3 LYS 63 -8.722 -15.363 1.425 513 HE2 LYS 63 HE2 LYS 63 -7.448 -17.226 0.209 514 HE3 LYS 63 HE3 LYS 63 -6.735 -17.648 1.773 515 HZ1 LYS 63 HZ1 LYS 63 -9.563 -17.849 0.954 516 HZ2 LYS 63 HZ2 LYS 63 -9.123 -17.892 2.552 517 HZ3 LYS 63 HZ3 LYS 63 -8.600 -19.041 1.552 518 H GLU 64 H GLU 64 -3.506 -12.229 2.165 519 HA GLU 64 HA GLU 64 -1.336 -12.453 1.676 520 HB2 GLU 64 HB2 GLU 64 -2.123 -15.052 0.319 521 HB3 GLU 64 HB3 GLU 64 -0.481 -14.528 0.713 522 HG2 GLU 64 HG2 GLU 64 -1.335 -14.228 3.144 523 HG3 GLU 64 HG3 GLU 64 -2.714 -15.204 2.645 524 H SER 65 H SER 65 -3.036 -10.929 -0.263 525 HA SER 65 HA SER 65 -1.833 -10.876 -2.811 526 HB2 SER 65 HB2 SER 65 -3.735 -9.527 -2.477 527 HB3 SER 65 HB3 SER 65 -3.039 -8.711 -1.070 528 HG SER 65 HG SER 65 -1.832 -7.495 -2.348 529 H THR 66 H THR 66 0.031 -10.215 -3.644 530 HA THR 66 HA THR 66 2.040 -8.946 -1.909 531 HB THR 66 HB THR 66 2.815 -9.843 -4.633 532 HG1 THR 66 HG1 THR 66 2.373 -11.558 -2.444 533 HG21 THR 66 1HG2 THR 66 4.449 -8.699 -3.179 534 HG22 THR 66 2HG2 THR 66 4.901 -10.389 -3.469 535 HG23 THR 66 3HG2 THR 66 4.184 -9.919 -1.912 536 H LEU 67 H LEU 67 1.462 -6.860 -1.706 537 HA LEU 67 HA LEU 67 1.310 -5.108 -4.064 538 HB2 LEU 67 HB2 LEU 67 1.645 -4.437 -1.109 539 HB3 LEU 67 HB3 LEU 67 1.463 -3.292 -2.423 540 HG LEU 67 HG LEU 67 -0.744 -4.836 -2.888 541 HD11 LEU 67 1HD1 LEU 67 -0.441 -4.789 0.141 542 HD12 LEU 67 2HD1 LEU 67 -0.428 -6.242 -0.870 543 HD13 LEU 67 3HD1 LEU 67 -1.899 -5.259 -0.764 544 HD21 LEU 67 3HD2 LEU 67 -0.669 -2.376 -2.683 545 HD22 LEU 67 1HD2 LEU 67 -0.565 -2.520 -0.913 546 HD23 LEU 67 2HD2 LEU 67 -2.030 -3.054 -1.771 547 H HIS 68 H HIS 68 2.884 -3.596 -4.607 548 HA HIS 68 HA HIS 68 5.698 -3.959 -3.653 549 HB2 HIS 68 HB2 HIS 68 4.731 -2.869 -6.314 550 HB3 HIS 68 HB3 HIS 68 6.371 -2.847 -5.741 551 HD1 HIS 68 HD1 HIS 68 4.294 -6.124 -5.656 552 HD2 HIS 68 HD2 HIS 68 7.488 -4.240 -7.625 553 HE1 HIS 68 HE1 HIS 68 5.362 -7.886 -7.162 554 H LEU 69 H LEU 69 6.886 -2.221 -3.523 555 HA LEU 69 HA LEU 69 5.258 0.189 -2.957 556 HB2 LEU 69 HB2 LEU 69 6.394 -0.857 -1.033 557 HB3 LEU 69 HB3 LEU 69 7.921 -0.615 -1.860 558 HG LEU 69 HG LEU 69 7.741 1.792 -1.583 559 HD11 LEU 69 1HD1 LEU 69 5.240 1.967 -1.573 560 HD12 LEU 69 2HD1 LEU 69 5.939 2.722 -0.138 561 HD13 LEU 69 3HD1 LEU 69 5.208 1.119 -0.019 562 HD21 LEU 69 3HD2 LEU 69 7.326 0.210 0.967 563 HD22 LEU 69 1HD2 LEU 69 7.999 1.852 0.856 564 HD23 LEU 69 2HD2 LEU 69 8.866 0.499 0.122 565 H VAL 70 H VAL 70 6.068 2.215 -3.485 566 HA VAL 70 HA VAL 70 8.850 2.148 -4.411 567 HB VAL 70 HB VAL 70 7.850 4.572 -5.589 568 HG11 VAL 70 1HG1 VAL 70 8.810 3.695 -7.541 569 HG12 VAL 70 2HG1 VAL 70 9.857 3.337 -6.149 570 HG13 VAL 70 3HG1 VAL 70 8.818 2.073 -6.844 571 HG21 VAL 70 3HG2 VAL 70 6.221 2.287 -6.623 572 HG22 VAL 70 1HG2 VAL 70 5.606 3.697 -5.714 573 HG23 VAL 70 2HG2 VAL 70 6.360 3.931 -7.289 574 H LEU 71 H LEU 71 9.875 4.221 -4.357 575 HA LEU 71 HA LEU 71 9.339 6.117 -2.311 576 HB2 LEU 71 HB2 LEU 71 10.887 5.922 -4.794 577 HB3 LEU 71 HB3 LEU 71 10.336 7.518 -4.563 578 HG LEU 71 HG LEU 71 12.656 6.629 -3.697 579 HD11 LEU 71 1HD1 LEU 71 11.012 8.641 -2.137 580 HD12 LEU 71 2HD1 LEU 71 11.990 8.944 -3.583 581 HD13 LEU 71 3HD1 LEU 71 12.776 8.470 -2.077 582 HD21 LEU 71 3HD2 LEU 71 11.734 4.940 -2.096 583 HD22 LEU 71 1HD2 LEU 71 11.113 6.294 -1.109 584 HD23 LEU 71 2HD2 LEU 71 12.847 6.118 -1.387 585 H ARG 72 H ARG 72 8.970 8.349 -2.786 586 HA ARG 72 HA ARG 72 6.936 8.855 -4.900 587 HB2 ARG 72 HB2 ARG 72 6.324 9.370 -2.373 588 HB3 ARG 72 HB3 ARG 72 7.419 10.744 -2.575 589 HG2 ARG 72 HG2 ARG 72 6.006 11.375 -4.630 590 HG3 ARG 72 HG3 ARG 72 4.888 10.086 -4.136 591 HD2 ARG 72 HD2 ARG 72 4.965 11.374 -1.812 592 HD3 ARG 72 HD3 ARG 72 5.534 12.724 -2.785 593 HE ARG 72 HE ARG 72 2.902 12.062 -2.365 594 HH11 ARG 72 1HH1 ARG 72 4.583 12.311 -5.494 595 HH12 ARG 72 2HH1 ARG 72 3.034 12.434 -6.310 596 HH21 ARG 72 1HH2 ARG 72 1.033 12.362 -3.630 597 HH22 ARG 72 2HH2 ARG 72 1.273 12.450 -5.360 598 H LEU 73 H LEU 73 7.396 10.601 -6.304 599 HA LEU 73 HA LEU 73 9.775 12.260 -5.916 600 HB2 LEU 73 HB2 LEU 73 9.791 9.922 -7.724 601 HB3 LEU 73 HB3 LEU 73 10.165 11.399 -8.584 602 HG LEU 73 HG LEU 73 11.630 10.517 -6.057 603 HD11 LEU 73 1HD1 LEU 73 12.450 10.271 -8.980 604 HD12 LEU 73 2HD1 LEU 73 11.996 8.928 -7.903 605 HD13 LEU 73 3HD1 LEU 73 13.451 9.874 -7.564 606 HD21 LEU 73 3HD2 LEU 73 11.796 12.956 -6.457 607 HD22 LEU 73 1HD2 LEU 73 12.277 12.654 -8.149 608 HD23 LEU 73 2HD2 LEU 73 13.324 12.166 -6.804 609 H ARG 74 H ARG 74 10.045 13.876 -7.677 610 HA ARG 74 HA ARG 74 9.258 15.796 -8.578 611 HB2 ARG 74 HB2 ARG 74 7.680 13.775 -10.175 612 HB3 ARG 74 HB3 ARG 74 7.524 15.507 -10.467 613 HG2 ARG 74 HG2 ARG 74 10.018 15.678 -10.719 614 HG3 ARG 74 HG3 ARG 74 10.088 13.902 -10.690 615 HD2 ARG 74 HD2 ARG 74 8.653 13.784 -12.661 616 HD3 ARG 74 HD3 ARG 74 8.387 15.537 -12.631 617 HE ARG 74 HE ARG 74 11.063 15.516 -12.884 618 HH11 ARG 74 1HH1 ARG 74 8.632 13.785 -14.790 619 HH12 ARG 74 2HH1 ARG 74 9.742 13.688 -16.151 620 HH21 ARG 74 1HH2 ARG 74 12.299 15.329 -14.706 621 HH22 ARG 74 2HH2 ARG 74 11.625 14.518 -16.126 622 H GLY 75 H GLY 75 8.176 15.280 -6.071 623 HA2 GLY 75 HA2 GLY 75 6.934 17.605 -5.590 624 HA3 GLY 75 HA3 GLY 75 5.545 16.606 -6.023 625 H GLY 76 H GLY 76 6.526 17.883 -3.451 626 HA2 GLY 76 HA2 GLY 76 5.651 16.990 -1.266 627 HA3 GLY 76 HA3 GLY 76 6.546 15.510 -1.619 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -7.953 -9.393 6.045 2 H2 MET 1 H2 MET 1 -7.288 -10.913 6.099 3 H3 MET 1 H3 MET 1 -8.831 -10.709 5.579 4 HA MET 1 HA MET 1 -7.308 -11.093 3.702 5 HB2 MET 1 HB2 MET 1 -9.351 -9.769 3.341 6 HB3 MET 1 HB3 MET 1 -8.564 -8.319 3.917 7 HG2 MET 1 HG2 MET 1 -8.418 -7.889 1.760 8 HG3 MET 1 HG3 MET 1 -6.896 -8.757 1.882 9 HE1 MET 1 HE1 MET 1 -9.219 -9.336 -1.530 10 HE2 MET 1 HE2 MET 1 -9.454 -8.022 -0.367 11 HE3 MET 1 HE3 MET 1 -7.818 -8.403 -0.952 12 H GLN 2 H GLN 2 -5.093 -11.314 4.565 13 HA GLN 2 HA GLN 2 -3.530 -8.884 4.884 14 HB2 GLN 2 HB2 GLN 2 -2.807 -11.804 4.599 15 HB3 GLN 2 HB3 GLN 2 -1.577 -10.545 4.596 16 HG2 GLN 2 HG2 GLN 2 -1.665 -10.249 6.822 17 HG3 GLN 2 HG3 GLN 2 -3.414 -10.123 6.838 18 HE21 GLN 2 1HE2 GLN 2 -0.720 -12.500 6.827 19 HE22 GLN 2 2HE2 GLN 2 -1.730 -13.838 7.371 20 H ILE 3 H ILE 3 -2.092 -7.935 3.560 21 HA ILE 3 HA ILE 3 -1.858 -8.716 0.718 22 HB ILE 3 HB ILE 3 -2.298 -6.473 -0.089 23 HG12 ILE 3 2HG1 ILE 3 -3.153 -5.754 2.749 24 HG13 ILE 3 3HG1 ILE 3 -1.711 -5.170 1.914 25 HG21 ILE 3 1HG2 ILE 3 -4.699 -6.517 -0.037 26 HG22 ILE 3 2HG2 ILE 3 -4.133 -8.185 0.024 27 HG23 ILE 3 3HG2 ILE 3 -4.718 -7.397 1.505 28 HD11 ILE 3 3HD1 ILE 3 -4.586 -4.534 1.167 29 HD12 ILE 3 1HD1 ILE 3 -3.378 -3.448 1.864 30 HD13 ILE 3 2HD1 ILE 3 -3.158 -4.058 0.214 31 H PHE 4 H PHE 4 -0.045 -7.629 -0.337 32 HA PHE 4 HA PHE 4 2.104 -7.013 1.621 33 HB2 PHE 4 HB2 PHE 4 2.193 -8.703 -0.875 34 HB3 PHE 4 HB3 PHE 4 3.613 -8.184 0.013 35 HD1 PHE 4 HD1 PHE 4 3.765 -8.800 2.559 36 HD2 PHE 4 HD2 PHE 4 1.084 -10.699 -0.240 37 HE1 PHE 4 HE1 PHE 4 3.536 -10.739 4.084 38 HE2 PHE 4 HE2 PHE 4 0.831 -12.612 1.316 39 HZ PHE 4 HZ PHE 4 2.019 -12.626 3.496 40 H VAL 5 H VAL 5 3.525 -5.334 1.298 41 HA VAL 5 HA VAL 5 3.344 -3.928 -1.342 42 HB VAL 5 HB VAL 5 4.256 -2.550 1.170 43 HG11 VAL 5 1HG1 VAL 5 3.309 -1.538 -1.552 44 HG12 VAL 5 2HG1 VAL 5 3.764 -0.525 -0.165 45 HG13 VAL 5 3HG1 VAL 5 4.983 -1.522 -0.957 46 HG21 VAL 5 3HG2 VAL 5 2.024 -1.445 1.191 47 HG22 VAL 5 1HG2 VAL 5 1.465 -2.593 -0.046 48 HG23 VAL 5 2HG2 VAL 5 1.928 -3.167 1.572 49 H LYS 6 H LYS 6 5.032 -3.735 -2.613 50 HA LYS 6 HA LYS 6 7.630 -4.964 -1.806 51 HB2 LYS 6 HB2 LYS 6 6.707 -6.049 -3.703 52 HB3 LYS 6 HB3 LYS 6 6.079 -4.544 -4.354 53 HG2 LYS 6 HG2 LYS 6 7.731 -5.180 -5.809 54 HG3 LYS 6 HG3 LYS 6 8.353 -3.779 -4.955 55 HD2 LYS 6 HD2 LYS 6 9.742 -5.364 -3.528 56 HD3 LYS 6 HD3 LYS 6 9.025 -6.731 -4.415 57 HE2 LYS 6 HE2 LYS 6 9.815 -5.175 -6.510 58 HE3 LYS 6 HE3 LYS 6 11.007 -4.640 -5.325 59 HZ1 LYS 6 HZ1 LYS 6 11.661 -7.010 -5.110 60 HZ2 LYS 6 HZ2 LYS 6 11.813 -6.427 -6.647 61 HZ3 LYS 6 HZ3 LYS 6 10.561 -7.428 -6.279 62 H THR 7 H THR 7 9.084 -3.533 -1.107 63 HA THR 7 HA THR 7 8.811 -0.714 -1.882 64 HB THR 7 HB THR 7 10.194 -0.139 -0.119 65 HG1 THR 7 HG1 THR 7 11.077 -2.797 0.180 66 HG21 THR 7 1HG2 THR 7 8.960 -2.709 0.966 67 HG22 THR 7 2HG2 THR 7 8.099 -1.170 0.763 68 HG23 THR 7 3HG2 THR 7 9.472 -1.278 1.875 69 H LEU 8 H LEU 8 11.151 0.447 -1.888 70 HA LEU 8 HA LEU 8 12.300 -0.075 -4.492 71 HB2 LEU 8 HB2 LEU 8 12.947 1.794 -2.163 72 HB3 LEU 8 HB3 LEU 8 13.948 1.731 -3.591 73 HG LEU 8 HG LEU 8 12.500 3.619 -3.662 74 HD11 LEU 8 1HD1 LEU 8 11.618 1.639 -5.794 75 HD12 LEU 8 2HD1 LEU 8 13.153 2.533 -5.791 76 HD13 LEU 8 3HD1 LEU 8 11.622 3.408 -5.903 77 HD21 LEU 8 3HD2 LEU 8 10.085 1.783 -3.841 78 HD22 LEU 8 1HD2 LEU 8 10.107 3.549 -3.905 79 HD23 LEU 8 2HD2 LEU 8 10.548 2.737 -2.401 80 H THR 9 H THR 9 12.876 -1.651 -1.545 81 HA THR 9 HA THR 9 15.506 -2.590 -2.489 82 HB THR 9 HB THR 9 16.635 -2.491 -0.566 83 HG1 THR 9 HG1 THR 9 15.678 -2.231 1.447 84 HG21 THR 9 1HG2 THR 9 14.813 -0.087 -0.129 85 HG22 THR 9 2HG2 THR 9 16.177 -0.137 -1.275 86 HG23 THR 9 3HG2 THR 9 16.475 -0.307 0.460 87 H GLY 10 H GLY 10 16.167 -4.635 -0.969 88 HA2 GLY 10 HA2 GLY 10 14.320 -6.746 -1.724 89 HA3 GLY 10 HA3 GLY 10 15.835 -6.918 -0.836 90 H LYS 11 H LYS 11 12.729 -5.236 -0.188 91 HA LYS 11 HA LYS 11 12.106 -7.008 2.051 92 HB2 LYS 11 HB2 LYS 11 12.664 -4.042 2.404 93 HB3 LYS 11 HB3 LYS 11 11.526 -4.857 3.466 94 HG2 LYS 11 HG2 LYS 11 14.440 -5.685 3.152 95 HG3 LYS 11 HG3 LYS 11 13.810 -4.645 4.420 96 HD2 LYS 11 HD2 LYS 11 12.430 -6.419 5.339 97 HD3 LYS 11 HD3 LYS 11 12.768 -7.475 3.974 98 HE2 LYS 11 HE2 LYS 11 14.049 -8.276 5.772 99 HE3 LYS 11 HE3 LYS 11 15.152 -7.584 4.583 100 HZ1 LYS 11 HZ1 LYS 11 15.666 -6.973 6.901 101 HZ2 LYS 11 HZ2 LYS 11 14.250 -6.148 7.030 102 HZ3 LYS 11 HZ3 LYS 11 15.432 -5.652 5.985 103 H THR 12 H THR 12 10.081 -7.201 2.590 104 HA THR 12 HA THR 12 7.985 -5.866 0.986 105 HB THR 12 HB THR 12 7.884 -8.751 1.843 106 HG1 THR 12 HG1 THR 12 8.615 -9.300 -0.117 107 HG21 THR 12 1HG2 THR 12 6.364 -7.234 -0.320 108 HG22 THR 12 2HG2 THR 12 5.703 -7.738 1.254 109 HG23 THR 12 3HG2 THR 12 6.198 -8.959 0.076 110 H ILE 13 H ILE 13 6.183 -5.152 2.036 111 HA ILE 13 HA ILE 13 6.165 -5.422 5.010 112 HB ILE 13 HB ILE 13 4.463 -3.536 3.406 113 HG12 ILE 13 2HG1 ILE 13 6.685 -3.018 2.590 114 HG13 ILE 13 3HG1 ILE 13 6.072 -1.750 3.612 115 HG21 ILE 13 1HG2 ILE 13 5.494 -3.447 6.266 116 HG22 ILE 13 2HG2 ILE 13 4.557 -2.166 5.477 117 HG23 ILE 13 3HG2 ILE 13 3.832 -3.756 5.727 118 HD11 ILE 13 3HD1 ILE 13 8.458 -2.163 4.055 119 HD12 ILE 13 1HD1 ILE 13 7.514 -2.558 5.496 120 HD13 ILE 13 2HD1 ILE 13 8.127 -3.855 4.453 121 H THR 14 H THR 14 4.664 -6.618 5.981 122 HA THR 14 HA THR 14 2.256 -7.555 4.572 123 HB THR 14 HB THR 14 2.762 -8.222 7.447 124 HG1 THR 14 HG1 THR 14 4.064 -9.830 6.905 125 HG21 THR 14 1HG2 THR 14 1.695 -10.359 6.759 126 HG22 THR 14 2HG2 THR 14 1.418 -9.672 5.140 127 HG23 THR 14 3HG2 THR 14 0.640 -8.949 6.563 128 H LEU 15 H LEU 15 0.283 -6.679 4.709 129 HA LEU 15 HA LEU 15 -0.370 -4.961 7.088 130 HB2 LEU 15 HB2 LEU 15 -1.192 -4.795 4.178 131 HB3 LEU 15 HB3 LEU 15 -2.224 -4.125 5.425 132 HG LEU 15 HG LEU 15 0.682 -3.289 5.132 133 HD11 LEU 15 1HD1 LEU 15 -0.534 -2.781 3.051 134 HD12 LEU 15 2HD1 LEU 15 -0.193 -1.298 3.954 135 HD13 LEU 15 3HD1 LEU 15 -1.827 -1.997 3.980 136 HD21 LEU 15 3HD2 LEU 15 -1.727 -1.969 6.481 137 HD22 LEU 15 1HD2 LEU 15 -0.081 -1.306 6.396 138 HD23 LEU 15 2HD2 LEU 15 -0.391 -2.773 7.327 139 H GLU 16 H GLU 16 -2.368 -5.201 8.016 140 HA GLU 16 HA GLU 16 -3.966 -7.589 7.275 141 HB2 GLU 16 HB2 GLU 16 -4.486 -7.804 9.718 142 HB3 GLU 16 HB3 GLU 16 -2.920 -8.365 9.162 143 HG2 GLU 16 HG2 GLU 16 -3.333 -5.679 10.547 144 HG3 GLU 16 HG3 GLU 16 -2.944 -7.174 11.385 145 H VAL 17 H VAL 17 -5.705 -6.956 6.377 146 HA VAL 17 HA VAL 17 -7.339 -4.718 7.419 147 HB VAL 17 HB VAL 17 -7.529 -3.732 5.207 148 HG11 VAL 17 1HG1 VAL 17 -5.639 -3.021 6.716 149 HG12 VAL 17 2HG1 VAL 17 -4.559 -4.027 5.745 150 HG13 VAL 17 3HG1 VAL 17 -5.416 -2.663 4.993 151 HG21 VAL 17 3HG2 VAL 17 -5.461 -5.733 4.227 152 HG22 VAL 17 1HG2 VAL 17 -7.175 -5.683 3.750 153 HG23 VAL 17 2HG2 VAL 17 -6.093 -4.350 3.324 154 H GLU 18 H GLU 18 -9.461 -4.623 6.164 155 HA GLU 18 HA GLU 18 -10.498 -7.388 5.793 156 HB2 GLU 18 HB2 GLU 18 -11.715 -4.787 6.666 157 HB3 GLU 18 HB3 GLU 18 -12.721 -5.946 5.806 158 HG2 GLU 18 HG2 GLU 18 -12.904 -6.257 8.219 159 HG3 GLU 18 HG3 GLU 18 -12.295 -7.686 7.396 160 HA PRO 19 HA PRO 19 -10.707 -6.890 1.385 161 HB2 PRO 19 HB2 PRO 19 -12.829 -8.428 0.653 162 HB3 PRO 19 HB3 PRO 19 -11.334 -9.139 1.337 163 HG2 PRO 19 HG2 PRO 19 -13.914 -8.472 2.801 164 HG3 PRO 19 HG3 PRO 19 -12.979 -10.001 2.842 165 HD2 PRO 19 HD2 PRO 19 -12.708 -8.091 4.762 166 HD3 PRO 19 HD3 PRO 19 -11.314 -9.051 4.215 167 H SER 20 H SER 20 -13.396 -5.870 3.324 168 HA SER 20 HA SER 20 -14.847 -4.347 1.310 169 HB2 SER 20 HB2 SER 20 -15.905 -3.371 3.398 170 HB3 SER 20 HB3 SER 20 -15.993 -5.166 3.279 171 HG SER 20 HG SER 20 -14.145 -3.628 4.870 172 H ASP 21 H ASP 21 -11.828 -3.797 3.008 173 HA ASP 21 HA ASP 21 -12.360 -1.145 3.715 174 HB2 ASP 21 HB2 ASP 21 -9.744 -2.640 3.430 175 HB3 ASP 21 HB3 ASP 21 -9.816 -0.953 3.892 176 H THR 22 H THR 22 -12.055 0.800 3.086 177 HA THR 22 HA THR 22 -12.081 1.425 0.289 178 HB THR 22 HB THR 22 -11.973 3.813 1.179 179 HG1 THR 22 HG1 THR 22 -12.049 4.110 3.324 180 HG21 THR 22 1HG2 THR 22 -14.133 2.747 0.639 181 HG22 THR 22 2HG2 THR 22 -14.267 3.793 2.074 182 HG23 THR 22 3HG2 THR 22 -14.189 2.028 2.267 183 H ILE 23 H ILE 23 -10.456 2.344 -0.924 184 HA ILE 23 HA ILE 23 -7.770 1.747 -0.292 185 HB ILE 23 HB ILE 23 -9.045 3.641 -2.274 186 HG12 ILE 23 2HG1 ILE 23 -9.610 1.420 -2.835 187 HG13 ILE 23 3HG1 ILE 23 -8.353 1.930 -3.934 188 HG21 ILE 23 1HG2 ILE 23 -6.107 2.911 -2.130 189 HG22 ILE 23 2HG2 ILE 23 -6.903 3.638 -3.543 190 HG23 ILE 23 3HG2 ILE 23 -6.841 4.535 -2.036 191 HD11 ILE 23 3HD1 ILE 23 -6.668 0.625 -2.596 192 HD12 ILE 23 1HD1 ILE 23 -8.019 0.002 -1.609 193 HD13 ILE 23 2HD1 ILE 23 -7.947 -0.351 -3.338 194 H GLU 24 H GLU 24 -9.545 4.571 0.750 195 HA GLU 24 HA GLU 24 -7.175 5.994 1.676 196 HB2 GLU 24 HB2 GLU 24 -8.776 7.490 2.858 197 HB3 GLU 24 HB3 GLU 24 -8.846 7.436 1.114 198 HG2 GLU 24 HG2 GLU 24 -11.055 7.449 1.486 199 HG3 GLU 24 HG3 GLU 24 -10.839 5.713 1.484 200 H ASN 25 H ASN 25 -9.501 3.727 3.281 201 HA ASN 25 HA ASN 25 -8.318 3.956 5.895 202 HB2 ASN 25 HB2 ASN 25 -10.096 2.015 4.454 203 HB3 ASN 25 HB3 ASN 25 -9.095 1.305 5.703 204 HD21 ASN 25 1HD2 ASN 25 -11.728 3.573 5.133 205 HD22 ASN 25 2HD2 ASN 25 -12.120 3.738 6.839 206 H VAL 26 H VAL 26 -7.479 1.877 3.114 207 HA VAL 26 HA VAL 26 -5.257 0.589 4.407 208 HB VAL 26 HB VAL 26 -5.567 1.077 1.443 209 HG11 VAL 26 1HG1 VAL 26 -4.150 -1.133 3.004 210 HG12 VAL 26 2HG1 VAL 26 -4.302 -1.051 1.238 211 HG13 VAL 26 3HG1 VAL 26 -3.351 0.167 2.096 212 HG21 VAL 26 3HG2 VAL 26 -6.695 -1.208 3.134 213 HG22 VAL 26 1HG2 VAL 26 -7.644 0.014 2.274 214 HG23 VAL 26 2HG2 VAL 26 -6.696 -1.134 1.359 215 H LYS 27 H LYS 27 -5.378 3.556 2.373 216 HA LYS 27 HA LYS 27 -2.568 4.156 2.627 217 HB2 LYS 27 HB2 LYS 27 -4.963 5.453 1.488 218 HB3 LYS 27 HB3 LYS 27 -4.087 6.602 2.459 219 HG2 LYS 27 HG2 LYS 27 -3.095 6.929 0.408 220 HG3 LYS 27 HG3 LYS 27 -1.965 5.854 1.210 221 HD2 LYS 27 HD2 LYS 27 -2.140 5.010 -0.991 222 HD3 LYS 27 HD3 LYS 27 -3.116 3.922 -0.016 223 HE2 LYS 27 HE2 LYS 27 -4.327 4.372 -2.050 224 HE3 LYS 27 HE3 LYS 27 -5.167 5.171 -0.721 225 HZ1 LYS 27 HZ1 LYS 27 -4.097 7.293 -1.450 226 HZ2 LYS 27 HZ2 LYS 27 -5.048 6.682 -2.574 227 HZ3 LYS 27 HZ3 LYS 27 -3.435 6.500 -2.751 228 H ALA 28 H ALA 28 -5.155 4.564 4.927 229 HA ALA 28 HA ALA 28 -3.554 6.360 6.618 230 HB1 ALA 28 HB1 ALA 28 -5.465 6.213 8.146 231 HB2 ALA 28 HB2 ALA 28 -6.002 6.561 6.492 232 HB3 ALA 28 HB3 ALA 28 -6.193 4.929 7.159 233 H LYS 29 H LYS 29 -4.763 2.975 7.082 234 HA LYS 29 HA LYS 29 -3.416 2.377 9.515 235 HB2 LYS 29 HB2 LYS 29 -4.103 0.607 7.120 236 HB3 LYS 29 HB3 LYS 29 -3.528 -0.046 8.653 237 HG2 LYS 29 HG2 LYS 29 -5.518 0.584 9.827 238 HG3 LYS 29 HG3 LYS 29 -6.039 1.644 8.520 239 HD2 LYS 29 HD2 LYS 29 -7.268 -0.009 7.664 240 HD3 LYS 29 HD3 LYS 29 -5.789 -0.845 7.256 241 HE2 LYS 29 HE2 LYS 29 -7.167 -2.412 8.287 242 HE3 LYS 29 HE3 LYS 29 -5.879 -2.082 9.440 243 HZ1 LYS 29 HZ1 LYS 29 -8.533 -0.758 9.596 244 HZ2 LYS 29 HZ2 LYS 29 -7.412 -0.943 10.821 245 HZ3 LYS 29 HZ3 LYS 29 -8.274 -2.221 10.250 246 H ILE 30 H ILE 30 -1.969 2.415 6.260 247 HA ILE 30 HA ILE 30 0.379 0.964 6.992 248 HB ILE 30 HB ILE 30 -0.555 1.520 4.666 249 HG12 ILE 30 2HG1 ILE 30 2.417 1.847 5.188 250 HG13 ILE 30 3HG1 ILE 30 1.552 0.311 5.134 251 HG21 ILE 30 1HG2 ILE 30 0.124 3.500 3.533 252 HG22 ILE 30 2HG2 ILE 30 -0.598 4.019 5.055 253 HG23 ILE 30 3HG2 ILE 30 1.168 4.004 4.875 254 HD11 ILE 30 3HD1 ILE 30 1.950 2.208 2.787 255 HD12 ILE 30 1HD1 ILE 30 2.633 0.588 3.002 256 HD13 ILE 30 2HD1 ILE 30 0.888 0.779 2.754 257 H GLN 31 H GLN 31 -0.443 4.325 7.748 258 HA GLN 31 HA GLN 31 2.384 5.080 8.061 259 HB2 GLN 31 HB2 GLN 31 -0.257 6.542 8.413 260 HB3 GLN 31 HB3 GLN 31 1.198 7.158 9.175 261 HG2 GLN 31 HG2 GLN 31 1.676 8.231 7.298 262 HG3 GLN 31 HG3 GLN 31 2.118 6.685 6.599 263 HE21 GLN 31 1HE2 GLN 31 1.040 6.222 4.645 264 HE22 GLN 31 2HE2 GLN 31 -0.611 6.793 4.356 265 H ASP 32 H ASP 32 -0.162 3.805 10.025 266 HA ASP 32 HA ASP 32 1.452 4.069 12.482 267 HB2 ASP 32 HB2 ASP 32 -1.402 3.808 11.882 268 HB3 ASP 32 HB3 ASP 32 -0.924 2.736 13.128 269 H LYS 33 H LYS 33 0.479 1.463 10.288 270 HA LYS 33 HA LYS 33 1.578 -0.610 11.942 271 HB2 LYS 33 HB2 LYS 33 -0.015 -0.786 9.907 272 HB3 LYS 33 HB3 LYS 33 1.417 -0.797 8.897 273 HG2 LYS 33 HG2 LYS 33 1.050 -2.731 11.222 274 HG3 LYS 33 HG3 LYS 33 0.330 -3.041 9.655 275 HD2 LYS 33 HD2 LYS 33 2.405 -3.377 8.575 276 HD3 LYS 33 HD3 LYS 33 3.322 -2.592 9.848 277 HE2 LYS 33 HE2 LYS 33 3.721 -4.902 10.137 278 HE3 LYS 33 HE3 LYS 33 2.656 -4.402 11.448 279 HZ1 LYS 33 HZ1 LYS 33 1.821 -6.461 10.466 280 HZ2 LYS 33 HZ2 LYS 33 1.801 -5.784 8.955 281 HZ3 LYS 33 HZ3 LYS 33 0.765 -5.298 10.084 282 H GLU 34 H GLU 34 3.063 1.127 9.212 283 HA GLU 34 HA GLU 34 5.758 0.119 10.109 284 HB2 GLU 34 HB2 GLU 34 4.753 -0.890 7.963 285 HB3 GLU 34 HB3 GLU 34 4.919 0.704 7.251 286 HG2 GLU 34 HG2 GLU 34 6.826 -0.530 6.594 287 HG3 GLU 34 HG3 GLU 34 7.400 0.638 7.774 288 H GLY 35 H GLY 35 4.014 2.827 8.554 289 HA2 GLY 35 HA2 GLY 35 4.537 5.128 9.147 290 HA3 GLY 35 HA3 GLY 35 6.223 4.691 9.363 291 H ILE 36 H ILE 36 3.959 4.060 6.599 292 HA ILE 36 HA ILE 36 5.980 5.283 4.755 293 HB ILE 36 HB ILE 36 3.782 3.270 4.321 294 HG12 ILE 36 2HG1 ILE 36 6.797 2.943 3.973 295 HG13 ILE 36 3HG1 ILE 36 5.983 2.562 5.481 296 HG21 ILE 36 1HG2 ILE 36 4.491 3.035 2.009 297 HG22 ILE 36 2HG2 ILE 36 4.027 4.700 2.274 298 HG23 ILE 36 3HG2 ILE 36 5.750 4.263 2.226 299 HD11 ILE 36 3HD1 ILE 36 5.433 1.170 2.839 300 HD12 ILE 36 1HD1 ILE 36 6.346 0.544 4.221 301 HD13 ILE 36 2HD1 ILE 36 4.610 0.853 4.387 302 HA PRO 37 HA PRO 37 2.610 8.401 4.683 303 HB2 PRO 37 HB2 PRO 37 4.044 10.697 4.650 304 HB3 PRO 37 HB3 PRO 37 3.977 9.662 6.108 305 HG2 PRO 37 HG2 PRO 37 6.127 9.689 3.950 306 HG3 PRO 37 HG3 PRO 37 6.348 9.832 5.723 307 HD2 PRO 37 HD2 PRO 37 6.576 7.433 4.435 308 HD3 PRO 37 HD3 PRO 37 5.864 7.586 6.074 309 HA PRO 38 HA PRO 38 2.337 9.243 0.315 310 HB2 PRO 38 HB2 PRO 38 0.698 11.433 0.183 311 HB3 PRO 38 HB3 PRO 38 0.129 9.810 0.696 312 HG2 PRO 38 HG2 PRO 38 1.009 12.122 2.472 313 HG3 PRO 38 HG3 PRO 38 -0.503 11.152 2.578 314 HD2 PRO 38 HD2 PRO 38 1.650 10.561 4.114 315 HD3 PRO 38 HD3 PRO 38 0.663 9.265 3.404 316 H ASP 39 H ASP 39 3.763 11.640 2.435 317 HA ASP 39 HA ASP 39 4.700 13.322 0.266 318 HB2 ASP 39 HB2 ASP 39 4.990 13.478 3.210 319 HB3 ASP 39 HB3 ASP 39 6.061 14.424 2.182 320 H GLN 40 H GLN 40 5.671 10.396 0.561 321 HA GLN 40 HA GLN 40 8.436 11.062 -0.420 322 HB2 GLN 40 HB2 GLN 40 8.365 10.541 1.988 323 HB3 GLN 40 HB3 GLN 40 7.710 8.953 1.656 324 HG2 GLN 40 HG2 GLN 40 10.317 9.903 0.392 325 HG3 GLN 40 HG3 GLN 40 10.294 9.349 2.052 326 HE21 GLN 40 1HE2 GLN 40 11.764 8.110 -0.140 327 HE22 GLN 40 2HE2 GLN 40 11.142 6.469 -0.168 328 H ASN 41 H ASN 41 5.558 9.110 -0.951 329 HA ASN 41 HA ASN 41 6.837 7.643 -3.171 330 HB2 ASN 41 HB2 ASN 41 6.433 5.453 -1.951 331 HB3 ASN 41 HB3 ASN 41 7.594 6.449 -1.144 332 HD21 ASN 41 1HD2 ASN 41 7.244 6.774 1.028 333 HD22 ASN 41 2HD2 ASN 41 5.614 6.762 1.738 334 H ARG 42 H ARG 42 5.051 5.804 -3.888 335 HA ARG 42 HA ARG 42 2.341 6.353 -3.093 336 HB2 ARG 42 HB2 ARG 42 1.331 6.973 -5.198 337 HB3 ARG 42 HB3 ARG 42 2.476 8.182 -4.659 338 HG2 ARG 42 HG2 ARG 42 4.148 7.163 -6.356 339 HG3 ARG 42 HG3 ARG 42 2.756 6.251 -6.981 340 HD2 ARG 42 HD2 ARG 42 1.553 8.570 -7.084 341 HD3 ARG 42 HD3 ARG 42 3.155 9.270 -6.859 342 HE ARG 42 HE ARG 42 2.863 7.349 -9.090 343 HH11 ARG 42 1HH1 ARG 42 2.199 10.709 -8.476 344 HH12 ARG 42 2HH1 ARG 42 2.863 11.206 -10.004 345 HH21 ARG 42 1HH2 ARG 42 3.028 8.149 -11.267 346 HH22 ARG 42 2HH2 ARG 42 3.190 9.891 -11.449 347 H LEU 43 H LEU 43 1.042 4.608 -3.332 348 HA LEU 43 HA LEU 43 2.405 2.101 -3.838 349 HB2 LEU 43 HB2 LEU 43 -0.569 2.397 -3.345 350 HB3 LEU 43 HB3 LEU 43 0.462 1.012 -3.026 351 HG LEU 43 HG LEU 43 0.346 3.631 -1.473 352 HD11 LEU 43 1HD1 LEU 43 -1.493 2.001 -1.089 353 HD12 LEU 43 2HD1 LEU 43 -0.465 2.197 0.342 354 HD13 LEU 43 3HD1 LEU 43 -0.294 0.756 -0.683 355 HD21 LEU 43 3HD2 LEU 43 2.194 1.238 -1.086 356 HD22 LEU 43 1HD2 LEU 43 1.914 2.501 0.135 357 HD23 LEU 43 2HD2 LEU 43 2.650 2.934 -1.401 358 H ILE 44 H ILE 44 2.453 0.865 -5.620 359 HA ILE 44 HA ILE 44 0.444 1.415 -7.817 360 HB ILE 44 HB ILE 44 3.200 0.185 -8.029 361 HG12 ILE 44 2HG1 ILE 44 3.472 2.491 -7.492 362 HG13 ILE 44 3HG1 ILE 44 3.891 2.219 -9.171 363 HG21 ILE 44 1HG2 ILE 44 1.803 -0.674 -9.815 364 HG22 ILE 44 2HG2 ILE 44 1.204 0.957 -10.196 365 HG23 ILE 44 3HG2 ILE 44 2.900 0.529 -10.491 366 HD11 ILE 44 3HD1 ILE 44 1.729 3.226 -9.894 367 HD12 ILE 44 1HD1 ILE 44 1.312 3.526 -8.190 368 HD13 ILE 44 2HD1 ILE 44 2.703 4.337 -8.918 369 H PHE 45 H PHE 45 -0.824 -0.207 -8.684 370 HA PHE 45 HA PHE 45 -0.061 -2.979 -8.072 371 HB2 PHE 45 HB2 PHE 45 -1.542 -2.685 -6.317 372 HB3 PHE 45 HB3 PHE 45 -2.715 -1.882 -7.336 373 HD1 PHE 45 HD1 PHE 45 -1.199 -5.166 -6.531 374 HD2 PHE 45 HD2 PHE 45 -4.326 -3.111 -8.681 375 HE1 PHE 45 HE1 PHE 45 -2.347 -7.326 -6.936 376 HE2 PHE 45 HE2 PHE 45 -5.482 -5.278 -9.051 377 HZ PHE 45 HZ PHE 45 -4.502 -7.380 -8.184 378 H ALA 46 H ALA 46 -0.079 -4.365 -9.665 379 HA ALA 46 HA ALA 46 0.132 -4.908 -11.864 380 HB1 ALA 46 HB1 ALA 46 -1.995 -5.310 -12.977 381 HB2 ALA 46 HB2 ALA 46 -2.110 -5.720 -11.254 382 HB3 ALA 46 HB3 ALA 46 -2.823 -4.207 -11.858 383 H GLY 47 H GLY 47 1.038 -2.270 -11.460 384 HA2 GLY 47 HA2 GLY 47 1.938 -0.604 -12.822 385 HA3 GLY 47 HA3 GLY 47 0.941 -1.165 -14.167 386 H LYS 48 H LYS 48 -1.506 -0.858 -12.183 387 HA LYS 48 HA LYS 48 -2.102 1.927 -12.917 388 HB2 LYS 48 HB2 LYS 48 -3.715 -0.137 -12.978 389 HB3 LYS 48 HB3 LYS 48 -3.809 0.075 -11.225 390 HG2 LYS 48 HG2 LYS 48 -4.402 2.595 -11.903 391 HG3 LYS 48 HG3 LYS 48 -4.797 1.891 -13.454 392 HD2 LYS 48 HD2 LYS 48 -5.919 0.885 -10.815 393 HD3 LYS 48 HD3 LYS 48 -6.668 2.199 -11.695 394 HE2 LYS 48 HE2 LYS 48 -6.226 -0.505 -13.029 395 HE3 LYS 48 HE3 LYS 48 -7.596 -0.214 -11.953 396 HZ1 LYS 48 HZ1 LYS 48 -8.447 0.331 -14.019 397 HZ2 LYS 48 HZ2 LYS 48 -7.126 1.068 -14.580 398 HZ3 LYS 48 HZ3 LYS 48 -8.076 1.784 -13.447 399 H GLN 49 H GLN 49 -2.521 3.591 -11.441 400 HA GLN 49 HA GLN 49 -1.369 3.489 -8.717 401 HB2 GLN 49 HB2 GLN 49 -3.025 5.621 -10.166 402 HB3 GLN 49 HB3 GLN 49 -2.356 5.773 -8.548 403 HG2 GLN 49 HG2 GLN 49 -0.111 5.089 -10.080 404 HG3 GLN 49 HG3 GLN 49 -1.028 6.137 -11.156 405 HE21 GLN 49 1HE2 GLN 49 -0.911 8.434 -10.706 406 HE22 GLN 49 2HE2 GLN 49 -0.214 9.050 -9.219 407 H LEU 50 H LEU 50 -2.807 4.111 -6.868 408 HA LEU 50 HA LEU 50 -5.523 2.869 -7.041 409 HB2 LEU 50 HB2 LEU 50 -3.505 2.695 -4.780 410 HB3 LEU 50 HB3 LEU 50 -5.176 2.132 -4.704 411 HG LEU 50 HG LEU 50 -3.010 1.025 -6.553 412 HD11 LEU 50 1HD1 LEU 50 -2.730 0.453 -4.174 413 HD12 LEU 50 2HD1 LEU 50 -3.219 -0.965 -5.119 414 HD13 LEU 50 3HD1 LEU 50 -4.409 -0.130 -4.104 415 HD21 LEU 50 3HD2 LEU 50 -5.177 0.780 -7.655 416 HD22 LEU 50 1HD2 LEU 50 -5.922 0.201 -6.148 417 HD23 LEU 50 2HD2 LEU 50 -4.709 -0.781 -6.996 418 H GLU 51 H GLU 51 -6.544 4.736 -7.433 419 HA GLU 51 HA GLU 51 -6.281 7.044 -5.649 420 HB2 GLU 51 HB2 GLU 51 -6.726 7.223 -8.094 421 HB3 GLU 51 HB3 GLU 51 -8.345 6.531 -7.804 422 HG2 GLU 51 HG2 GLU 51 -8.856 8.398 -6.233 423 HG3 GLU 51 HG3 GLU 51 -7.270 9.101 -6.563 424 H ASP 52 H ASP 52 -7.380 7.468 -3.989 425 HA ASP 52 HA ASP 52 -9.135 5.735 -2.688 426 HB2 ASP 52 HB2 ASP 52 -9.298 8.079 -1.267 427 HB3 ASP 52 HB3 ASP 52 -8.185 6.738 -1.042 428 H GLY 53 H GLY 53 -11.169 5.873 -1.967 429 HA2 GLY 53 HA2 GLY 53 -13.428 6.953 -2.138 430 HA3 GLY 53 HA3 GLY 53 -13.081 7.201 -3.859 431 H ARG 54 H ARG 54 -11.755 4.416 -3.993 432 HA ARG 54 HA ARG 54 -14.258 2.761 -3.960 433 HB2 ARG 54 HB2 ARG 54 -11.769 2.180 -5.573 434 HB3 ARG 54 HB3 ARG 54 -13.352 1.417 -5.686 435 HG2 ARG 54 HG2 ARG 54 -14.268 3.752 -6.295 436 HG3 ARG 54 HG3 ARG 54 -12.576 4.239 -6.514 437 HD2 ARG 54 HD2 ARG 54 -12.308 2.325 -8.128 438 HD3 ARG 54 HD3 ARG 54 -14.040 2.021 -8.000 439 HE ARG 54 HE ARG 54 -12.750 4.095 -9.545 440 HH11 ARG 54 1HH1 ARG 54 -15.797 3.414 -7.907 441 HH12 ARG 54 2HH1 ARG 54 -16.597 4.741 -8.750 442 HH21 ARG 54 1HH2 ARG 54 -13.977 5.675 -10.640 443 HH22 ARG 54 2HH2 ARG 54 -15.666 5.846 -10.195 444 H THR 55 H THR 55 -13.638 0.296 -3.791 445 HA THR 55 HA THR 55 -12.186 -0.124 -1.241 446 HB THR 55 HB THR 55 -13.261 -2.287 -1.176 447 HG1 THR 55 HG1 THR 55 -14.234 -3.116 -2.860 448 HG21 THR 55 1HG2 THR 55 -14.634 -0.341 -0.397 449 HG22 THR 55 2HG2 THR 55 -15.595 -1.698 -0.998 450 HG23 THR 55 3HG2 THR 55 -15.383 -0.256 -2.014 451 H LEU 56 H LEU 56 -10.841 -2.031 -0.998 452 HA LEU 56 HA LEU 56 -8.810 -2.635 -2.888 453 HB2 LEU 56 HB2 LEU 56 -10.230 -4.257 -0.761 454 HB3 LEU 56 HB3 LEU 56 -8.813 -4.884 -1.593 455 HG LEU 56 HG LEU 56 -8.746 -2.320 0.056 456 HD11 LEU 56 1HD1 LEU 56 -7.674 -3.652 1.780 457 HD12 LEU 56 2HD1 LEU 56 -7.805 -5.129 0.787 458 HD13 LEU 56 3HD1 LEU 56 -9.261 -4.325 1.423 459 HD21 LEU 56 3HD2 LEU 56 -6.947 -2.357 -1.557 460 HD22 LEU 56 1HD2 LEU 56 -6.600 -4.073 -1.222 461 HD23 LEU 56 2HD2 LEU 56 -6.252 -2.839 -0.007 462 H SER 57 H SER 57 -11.822 -4.521 -2.257 463 HA SER 57 HA SER 57 -11.532 -6.462 -4.189 464 HB2 SER 57 HB2 SER 57 -13.977 -6.729 -4.048 465 HB3 SER 57 HB3 SER 57 -13.239 -6.501 -2.459 466 HG SER 57 HG SER 57 -15.052 -4.901 -3.821 467 H ASP 58 H ASP 58 -12.790 -3.164 -4.764 468 HA ASP 58 HA ASP 58 -13.732 -3.903 -7.464 469 HB2 ASP 58 HB2 ASP 58 -14.777 -2.096 -6.029 470 HB3 ASP 58 HB3 ASP 58 -13.351 -1.098 -6.343 471 H TYR 59 H TYR 59 -10.712 -2.652 -6.131 472 HA TYR 59 HA TYR 59 -9.582 -2.191 -8.778 473 HB2 TYR 59 HB2 TYR 59 -8.426 -2.054 -6.031 474 HB3 TYR 59 HB3 TYR 59 -7.384 -2.132 -7.437 475 HD1 TYR 59 HD2 TYR 59 -7.466 -0.363 -9.213 476 HD2 TYR 59 HD1 TYR 59 -9.528 0.008 -5.454 477 HE1 TYR 59 HE2 TYR 59 -7.544 2.136 -9.482 478 HE2 TYR 59 HE1 TYR 59 -9.588 2.489 -5.735 479 HH TYR 59 HH TYR 59 -8.841 4.249 -6.936 480 H ASN 60 H ASN 60 -10.567 -4.977 -7.516 481 HA ASN 60 HA ASN 60 -10.093 -7.142 -7.609 482 HB2 ASN 60 HB2 ASN 60 -10.141 -6.623 -10.066 483 HB3 ASN 60 HB3 ASN 60 -8.375 -6.566 -10.038 484 HD21 ASN 60 1HD2 ASN 60 -8.935 -8.306 -11.758 485 HD22 ASN 60 2HD2 ASN 60 -9.052 -9.942 -11.127 486 H ILE 61 H ILE 61 -8.676 -5.753 -5.732 487 HA ILE 61 HA ILE 61 -5.988 -7.016 -5.623 488 HB ILE 61 HB ILE 61 -7.258 -5.179 -3.571 489 HG12 ILE 61 2HG1 ILE 61 -5.468 -4.481 -5.935 490 HG13 ILE 61 3HG1 ILE 61 -7.131 -3.983 -5.702 491 HG21 ILE 61 1HG2 ILE 61 -4.358 -5.994 -4.079 492 HG22 ILE 61 2HG2 ILE 61 -4.929 -4.931 -2.778 493 HG23 ILE 61 3HG2 ILE 61 -5.387 -6.627 -2.770 494 HD11 ILE 61 3HD1 ILE 61 -4.776 -3.052 -4.035 495 HD12 ILE 61 1HD1 ILE 61 -5.703 -2.134 -5.229 496 HD13 ILE 61 2HD1 ILE 61 -6.488 -2.648 -3.734 497 H GLN 62 H GLN 62 -5.621 -8.835 -4.460 498 HA GLN 62 HA GLN 62 -7.994 -10.138 -3.208 499 HB2 GLN 62 HB2 GLN 62 -5.768 -11.392 -4.849 500 HB3 GLN 62 HB3 GLN 62 -7.192 -12.200 -4.196 501 HG2 GLN 62 HG2 GLN 62 -8.656 -10.771 -5.627 502 HG3 GLN 62 HG3 GLN 62 -7.225 -10.010 -6.324 503 HE21 GLN 62 1HE2 GLN 62 -8.606 -10.950 -8.272 504 HE22 GLN 62 2HE2 GLN 62 -8.102 -12.581 -8.743 505 H LYS 63 H LYS 63 -7.320 -12.164 -1.938 506 HA LYS 63 HA LYS 63 -5.694 -11.345 0.299 507 HB2 LYS 63 HB2 LYS 63 -6.291 -13.469 1.299 508 HB3 LYS 63 HB3 LYS 63 -7.675 -12.714 0.557 509 HG2 LYS 63 HG2 LYS 63 -7.387 -14.193 -1.484 510 HG3 LYS 63 HG3 LYS 63 -6.180 -15.117 -0.573 511 HD2 LYS 63 HD2 LYS 63 -7.827 -15.863 1.018 512 HD3 LYS 63 HD3 LYS 63 -8.965 -14.610 0.540 513 HE2 LYS 63 HE2 LYS 63 -9.835 -16.627 -0.304 514 HE3 LYS 63 HE3 LYS 63 -9.266 -15.682 -1.680 515 HZ1 LYS 63 HZ1 LYS 63 -7.913 -18.035 -0.465 516 HZ2 LYS 63 HZ2 LYS 63 -7.241 -17.112 -1.654 517 HZ3 LYS 63 HZ3 LYS 63 -8.622 -17.950 -1.943 518 H GLU 64 H GLU 64 -3.672 -11.566 0.715 519 HA GLU 64 HA GLU 64 -1.490 -11.694 0.424 520 HB2 GLU 64 HB2 GLU 64 -1.894 -14.420 -0.836 521 HB3 GLU 64 HB3 GLU 64 -0.363 -13.699 -0.373 522 HG2 GLU 64 HG2 GLU 64 -1.638 -13.401 1.988 523 HG3 GLU 64 HG3 GLU 64 -2.576 -14.759 1.375 524 H SER 65 H SER 65 -3.184 -10.411 -1.791 525 HA SER 65 HA SER 65 -1.544 -10.519 -4.140 526 HB2 SER 65 HB2 SER 65 -3.490 -8.473 -3.083 527 HB3 SER 65 HB3 SER 65 -2.481 -8.100 -4.467 528 HG SER 65 HG SER 65 -3.321 -9.873 -5.567 529 H THR 66 H THR 66 0.345 -9.684 -4.682 530 HA THR 66 HA THR 66 1.710 -7.743 -3.031 531 HB THR 66 HB THR 66 2.808 -8.546 -5.685 532 HG1 THR 66 HG1 THR 66 3.551 -10.421 -4.838 533 HG21 THR 66 1HG2 THR 66 4.072 -6.969 -4.247 534 HG22 THR 66 2HG2 THR 66 4.928 -8.514 -4.445 535 HG23 THR 66 3HG2 THR 66 4.056 -8.170 -2.927 536 H LEU 67 H LEU 67 1.390 -5.695 -3.032 537 HA LEU 67 HA LEU 67 0.909 -4.131 -5.514 538 HB2 LEU 67 HB2 LEU 67 1.312 -3.272 -2.607 539 HB3 LEU 67 HB3 LEU 67 0.989 -2.227 -3.971 540 HG LEU 67 HG LEU 67 -1.173 -3.777 -4.253 541 HD11 LEU 67 1HD1 LEU 67 -0.730 -5.324 -2.373 542 HD12 LEU 67 2HD1 LEU 67 -2.160 -4.346 -2.058 543 HD13 LEU 67 3HD1 LEU 67 -0.622 -3.952 -1.257 544 HD21 LEU 67 3HD2 LEU 67 -0.905 -1.618 -2.117 545 HD22 LEU 67 1HD2 LEU 67 -2.410 -2.118 -2.918 546 HD23 LEU 67 2HD2 LEU 67 -1.127 -1.337 -3.855 547 H HIS 68 H HIS 68 2.518 -2.785 -6.346 548 HA HIS 68 HA HIS 68 5.340 -2.944 -5.358 549 HB2 HIS 68 HB2 HIS 68 4.212 -1.854 -7.947 550 HB3 HIS 68 HB3 HIS 68 5.834 -1.624 -7.393 551 HD1 HIS 68 HD1 HIS 68 3.984 -5.041 -7.767 552 HD2 HIS 68 HD2 HIS 68 7.409 -2.928 -8.892 553 HE1 HIS 68 HE1 HIS 68 5.405 -6.642 -9.155 554 H LEU 69 H LEU 69 6.430 -1.151 -5.173 555 HA LEU 69 HA LEU 69 4.715 1.178 -4.531 556 HB2 LEU 69 HB2 LEU 69 6.041 0.190 -2.676 557 HB3 LEU 69 HB3 LEU 69 7.490 0.541 -3.590 558 HG LEU 69 HG LEU 69 7.156 2.947 -3.276 559 HD11 LEU 69 1HD1 LEU 69 5.308 3.625 -1.648 560 HD12 LEU 69 2HD1 LEU 69 4.683 1.976 -1.772 561 HD13 LEU 69 3HD1 LEU 69 4.698 3.033 -3.200 562 HD21 LEU 69 3HD2 LEU 69 6.901 1.330 -0.708 563 HD22 LEU 69 1HD2 LEU 69 7.510 3.004 -0.855 564 HD23 LEU 69 2HD2 LEU 69 8.410 1.667 -1.607 565 H VAL 70 H VAL 70 5.406 3.233 -5.177 566 HA VAL 70 HA VAL 70 8.183 3.242 -6.118 567 HB VAL 70 HB VAL 70 6.536 5.486 -7.220 568 HG11 VAL 70 1HG1 VAL 70 8.201 5.320 -9.084 569 HG12 VAL 70 2HG1 VAL 70 9.009 5.673 -7.609 570 HG13 VAL 70 3HG1 VAL 70 9.005 4.003 -8.235 571 HG21 VAL 70 3HG2 VAL 70 5.215 3.771 -8.026 572 HG22 VAL 70 1HG2 VAL 70 6.200 4.332 -9.360 573 HG23 VAL 70 2HG2 VAL 70 6.611 2.797 -8.561 574 H LEU 71 H LEU 71 9.300 5.184 -5.904 575 HA LEU 71 HA LEU 71 8.783 7.151 -3.933 576 HB2 LEU 71 HB2 LEU 71 10.450 6.815 -6.326 577 HB3 LEU 71 HB3 LEU 71 9.997 8.444 -6.114 578 HG LEU 71 HG LEU 71 12.210 7.636 -5.216 579 HD11 LEU 71 1HD1 LEU 71 11.349 9.839 -4.667 580 HD12 LEU 71 2HD1 LEU 71 12.212 9.135 -3.290 581 HD13 LEU 71 3HD1 LEU 71 10.439 9.175 -3.305 582 HD21 LEU 71 3HD2 LEU 71 10.614 6.662 -2.822 583 HD22 LEU 71 1HD2 LEU 71 12.376 6.674 -3.034 584 HD23 LEU 71 2HD2 LEU 71 11.379 5.612 -4.044 585 H ARG 72 H ARG 72 8.329 9.255 -4.135 586 HA ARG 72 HA ARG 72 6.540 10.150 -6.320 587 HB2 ARG 72 HB2 ARG 72 7.300 11.271 -3.651 588 HB3 ARG 72 HB3 ARG 72 7.081 12.440 -4.950 589 HG2 ARG 72 HG2 ARG 72 4.826 11.698 -5.399 590 HG3 ARG 72 HG3 ARG 72 5.022 10.299 -4.344 591 HD2 ARG 72 HD2 ARG 72 3.671 11.843 -3.190 592 HD3 ARG 72 HD3 ARG 72 5.246 11.812 -2.381 593 HE ARG 72 HE ARG 72 5.379 13.979 -4.149 594 HH11 ARG 72 1HH1 ARG 72 3.323 13.086 -1.463 595 HH12 ARG 72 2HH1 ARG 72 3.269 14.715 -0.839 596 HH21 ARG 72 1HH2 ARG 72 4.932 16.130 -3.483 597 HH22 ARG 72 2HH2 ARG 72 3.881 16.374 -2.121 598 H LEU 73 H LEU 73 7.036 11.798 -7.755 599 HA LEU 73 HA LEU 73 9.713 11.534 -8.818 600 HB2 LEU 73 HB2 LEU 73 7.301 11.668 -9.990 601 HB3 LEU 73 HB3 LEU 73 7.626 13.397 -9.954 602 HG LEU 73 HG LEU 73 9.835 12.863 -11.184 603 HD11 LEU 73 1HD1 LEU 73 9.953 10.426 -10.678 604 HD12 LEU 73 2HD1 LEU 73 9.897 10.719 -12.419 605 HD13 LEU 73 3HD1 LEU 73 8.436 10.172 -11.569 606 HD21 LEU 73 3HD2 LEU 73 7.202 12.155 -12.550 607 HD22 LEU 73 1HD2 LEU 73 8.716 12.615 -13.370 608 HD23 LEU 73 2HD2 LEU 73 7.873 13.789 -12.342 609 H ARG 74 H ARG 74 11.031 13.297 -9.577 610 HA ARG 74 HA ARG 74 10.900 15.881 -8.090 611 HB2 ARG 74 HB2 ARG 74 12.785 13.639 -7.681 612 HB3 ARG 74 HB3 ARG 74 13.629 15.134 -7.997 613 HG2 ARG 74 HG2 ARG 74 11.392 15.054 -5.946 614 HG3 ARG 74 HG3 ARG 74 13.016 14.474 -5.567 615 HD2 ARG 74 HD2 ARG 74 14.012 16.639 -6.045 616 HD3 ARG 74 HD3 ARG 74 12.501 17.243 -6.721 617 HE ARG 74 HE ARG 74 11.944 17.966 -4.655 618 HH11 ARG 74 1HH1 ARG 74 13.902 15.098 -3.908 619 HH12 ARG 74 2HH1 ARG 74 13.281 15.119 -2.257 620 HH21 ARG 74 1HH2 ARG 74 11.544 17.963 -2.443 621 HH22 ARG 74 2HH2 ARG 74 12.125 16.583 -1.522 622 H GLY 75 H GLY 75 11.062 14.680 -11.074 623 HA2 GLY 75 HA2 GLY 75 12.759 16.888 -12.179 624 HA3 GLY 75 HA3 GLY 75 12.711 15.269 -12.875 625 H GLY 76 H GLY 76 9.766 16.758 -11.633 626 HA2 GLY 76 HA2 GLY 76 8.641 18.027 -13.840 627 HA3 GLY 76 HA3 GLY 76 8.218 16.311 -13.975 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -7.991 -12.769 6.803 2 H2 MET 1 H2 MET 1 -9.244 -12.544 5.796 3 H3 MET 1 H3 MET 1 -8.289 -11.264 6.215 4 HA MET 1 HA MET 1 -7.401 -13.590 4.578 5 HB2 MET 1 HB2 MET 1 -7.815 -10.687 3.701 6 HB3 MET 1 HB3 MET 1 -7.253 -12.034 2.734 7 HG2 MET 1 HG2 MET 1 -9.996 -11.629 3.898 8 HG3 MET 1 HG3 MET 1 -9.557 -11.672 2.197 9 HE1 MET 1 HE1 MET 1 -11.814 -14.885 2.629 10 HE2 MET 1 HE2 MET 1 -12.020 -13.377 3.518 11 HE3 MET 1 HE3 MET 1 -11.617 -13.342 1.790 12 H GLN 2 H GLN 2 -5.221 -13.756 4.374 13 HA GLN 2 HA GLN 2 -3.496 -11.513 5.300 14 HB2 GLN 2 HB2 GLN 2 -3.022 -13.717 6.249 15 HB3 GLN 2 HB3 GLN 2 -2.822 -14.420 4.635 16 HG2 GLN 2 HG2 GLN 2 -0.801 -13.240 4.255 17 HG3 GLN 2 HG3 GLN 2 -1.130 -12.060 5.501 18 HE21 GLN 2 1HE2 GLN 2 -1.124 -12.847 7.842 19 HE22 GLN 2 2HE2 GLN 2 -0.101 -14.245 8.178 20 H ILE 3 H ILE 3 -2.216 -10.462 3.833 21 HA ILE 3 HA ILE 3 -2.047 -11.299 1.018 22 HB ILE 3 HB ILE 3 -2.655 -9.195 0.084 23 HG12 ILE 3 2HG1 ILE 3 -3.195 -8.169 2.893 24 HG13 ILE 3 3HG1 ILE 3 -1.893 -7.668 1.810 25 HG21 ILE 3 1HG2 ILE 3 -5.041 -9.190 0.348 26 HG22 ILE 3 2HG2 ILE 3 -4.478 -10.851 0.498 27 HG23 ILE 3 3HG2 ILE 3 -4.931 -9.931 1.957 28 HD11 ILE 3 3HD1 ILE 3 -3.576 -6.773 0.208 29 HD12 ILE 3 1HD1 ILE 3 -4.850 -7.126 1.402 30 HD13 ILE 3 2HD1 ILE 3 -3.568 -5.968 1.789 31 H PHE 4 H PHE 4 -0.349 -10.027 -0.120 32 HA PHE 4 HA PHE 4 1.835 -9.299 1.760 33 HB2 PHE 4 HB2 PHE 4 1.937 -11.073 -0.687 34 HB3 PHE 4 HB3 PHE 4 3.323 -10.595 0.277 35 HD1 PHE 4 HD1 PHE 4 3.295 -11.214 2.830 36 HD2 PHE 4 HD2 PHE 4 0.719 -13.021 -0.127 37 HE1 PHE 4 HE1 PHE 4 2.912 -13.152 4.340 38 HE2 PHE 4 HE2 PHE 4 0.336 -14.950 1.390 39 HZ PHE 4 HZ PHE 4 1.420 -15.012 3.624 40 H VAL 5 H VAL 5 3.506 -7.906 1.069 41 HA VAL 5 HA VAL 5 3.129 -6.617 -1.592 42 HB VAL 5 HB VAL 5 4.267 -5.066 0.702 43 HG11 VAL 5 1HG1 VAL 5 4.850 -4.253 -1.544 44 HG12 VAL 5 2HG1 VAL 5 3.127 -4.225 -1.987 45 HG13 VAL 5 3HG1 VAL 5 3.760 -3.139 -0.728 46 HG21 VAL 5 3HG2 VAL 5 1.975 -5.550 1.367 47 HG22 VAL 5 1HG2 VAL 5 2.113 -3.865 0.864 48 HG23 VAL 5 2HG2 VAL 5 1.380 -5.060 -0.236 49 H LYS 6 H LYS 6 4.821 -6.438 -2.935 50 HA LYS 6 HA LYS 6 7.422 -7.633 -2.118 51 HB2 LYS 6 HB2 LYS 6 6.472 -8.719 -4.023 52 HB3 LYS 6 HB3 LYS 6 5.937 -7.192 -4.717 53 HG2 LYS 6 HG2 LYS 6 7.724 -8.020 -6.045 54 HG3 LYS 6 HG3 LYS 6 8.252 -6.505 -5.232 55 HD2 LYS 6 HD2 LYS 6 9.407 -7.995 -3.516 56 HD3 LYS 6 HD3 LYS 6 8.860 -9.398 -4.347 57 HE2 LYS 6 HE2 LYS 6 10.855 -7.350 -5.337 58 HE3 LYS 6 HE3 LYS 6 11.182 -9.005 -4.829 59 HZ1 LYS 6 HZ1 LYS 6 9.556 -9.569 -6.791 60 HZ2 LYS 6 HZ2 LYS 6 11.144 -9.234 -7.041 61 HZ3 LYS 6 HZ3 LYS 6 10.064 -8.062 -7.334 62 H THR 7 H THR 7 8.869 -6.133 -1.351 63 HA THR 7 HA THR 7 8.821 -3.430 -2.496 64 HB THR 7 HB THR 7 10.319 -2.680 -0.991 65 HG1 THR 7 HG1 THR 7 11.970 -3.732 -0.203 66 HG21 THR 7 1HG2 THR 7 9.183 -5.019 0.596 67 HG22 THR 7 2HG2 THR 7 8.321 -3.506 0.253 68 HG23 THR 7 3HG2 THR 7 9.798 -3.482 1.235 69 H LEU 8 H LEU 8 10.657 -2.377 -3.409 70 HA LEU 8 HA LEU 8 11.829 -3.723 -5.662 71 HB2 LEU 8 HB2 LEU 8 12.699 -1.164 -4.250 72 HB3 LEU 8 HB3 LEU 8 13.193 -1.667 -5.860 73 HG LEU 8 HG LEU 8 10.337 -0.952 -5.036 74 HD11 LEU 8 1HD1 LEU 8 11.873 0.973 -5.056 75 HD12 LEU 8 2HD1 LEU 8 10.701 1.064 -6.385 76 HD13 LEU 8 3HD1 LEU 8 12.375 0.566 -6.712 77 HD21 LEU 8 3HD2 LEU 8 11.518 -1.577 -7.782 78 HD22 LEU 8 1HD2 LEU 8 9.884 -0.949 -7.482 79 HD23 LEU 8 2HD2 LEU 8 10.317 -2.554 -6.904 80 H THR 9 H THR 9 12.909 -3.337 -2.336 81 HA THR 9 HA THR 9 15.576 -4.343 -2.674 82 HB THR 9 HB THR 9 14.366 -4.803 -0.040 83 HG1 THR 9 HG1 THR 9 14.637 -2.142 -0.383 84 HG21 THR 9 1HG2 THR 9 16.637 -2.996 -0.962 85 HG22 THR 9 2HG2 THR 9 16.793 -4.672 -0.406 86 HG23 THR 9 3HG2 THR 9 16.249 -3.428 0.727 87 H GLY 10 H GLY 10 12.720 -6.037 -3.068 88 HA2 GLY 10 HA2 GLY 10 12.437 -8.317 -3.360 89 HA3 GLY 10 HA3 GLY 10 13.998 -8.628 -2.671 90 H LYS 11 H LYS 11 12.371 -6.652 -0.451 91 HA LYS 11 HA LYS 11 11.858 -8.901 1.330 92 HB2 LYS 11 HB2 LYS 11 11.149 -5.930 1.665 93 HB3 LYS 11 HB3 LYS 11 10.874 -7.243 2.896 94 HG2 LYS 11 HG2 LYS 11 13.450 -7.666 2.695 95 HG3 LYS 11 HG3 LYS 11 13.505 -6.077 1.986 96 HD2 LYS 11 HD2 LYS 11 12.442 -6.767 4.720 97 HD3 LYS 11 HD3 LYS 11 13.961 -6.018 4.395 98 HE2 LYS 11 HE2 LYS 11 12.804 -4.045 3.472 99 HE3 LYS 11 HE3 LYS 11 11.203 -4.794 3.801 100 HZ1 LYS 11 HZ1 LYS 11 12.058 -3.163 5.508 101 HZ2 LYS 11 HZ2 LYS 11 13.262 -4.199 5.928 102 HZ3 LYS 11 HZ3 LYS 11 11.681 -4.580 6.145 103 H THR 12 H THR 12 10.041 -9.897 1.846 104 HA THR 12 HA THR 12 7.484 -8.946 0.593 105 HB THR 12 HB THR 12 7.667 -11.582 2.089 106 HG1 THR 12 HG1 THR 12 7.959 -12.438 -0.061 107 HG21 THR 12 1HG2 THR 12 5.437 -10.694 1.490 108 HG22 THR 12 2HG2 THR 12 5.813 -12.125 0.551 109 HG23 THR 12 3HG2 THR 12 5.919 -10.514 -0.212 110 H ILE 13 H ILE 13 6.181 -7.761 1.686 111 HA ILE 13 HA ILE 13 6.300 -7.598 4.656 112 HB ILE 13 HB ILE 13 4.601 -5.921 2.761 113 HG12 ILE 13 2HG1 ILE 13 6.901 -5.612 2.002 114 HG13 ILE 13 3HG1 ILE 13 6.276 -4.161 2.780 115 HG21 ILE 13 1HG2 ILE 13 3.852 -5.742 5.033 116 HG22 ILE 13 2HG2 ILE 13 5.498 -5.515 5.646 117 HG23 ILE 13 3HG2 ILE 13 4.722 -4.268 4.654 118 HD11 ILE 13 3HD1 ILE 13 7.591 -4.676 4.829 119 HD12 ILE 13 1HD1 ILE 13 8.193 -6.168 4.076 120 HD13 ILE 13 2HD1 ILE 13 8.625 -4.595 3.400 121 H THR 14 H THR 14 4.668 -8.300 5.938 122 HA THR 14 HA THR 14 2.412 -9.769 4.744 123 HB THR 14 HB THR 14 3.224 -9.900 7.639 124 HG1 THR 14 HG1 THR 14 4.976 -10.768 6.818 125 HG21 THR 14 1HG2 THR 14 2.143 -12.146 7.458 126 HG22 THR 14 2HG2 THR 14 1.636 -11.742 5.802 127 HG23 THR 14 3HG2 THR 14 1.011 -10.813 7.184 128 H LEU 15 H LEU 15 0.332 -9.098 4.774 129 HA LEU 15 HA LEU 15 -0.508 -7.063 6.788 130 HB2 LEU 15 HB2 LEU 15 -0.904 -7.152 3.804 131 HB3 LEU 15 HB3 LEU 15 -2.098 -6.331 4.808 132 HG LEU 15 HG LEU 15 0.877 -5.635 4.846 133 HD11 LEU 15 1HD1 LEU 15 -1.424 -4.276 3.359 134 HD12 LEU 15 2HD1 LEU 15 -0.136 -5.248 2.610 135 HD13 LEU 15 3HD1 LEU 15 0.270 -3.734 3.426 136 HD21 LEU 15 3HD2 LEU 15 -1.605 -4.120 5.832 137 HD22 LEU 15 1HD2 LEU 15 0.077 -3.552 5.899 138 HD23 LEU 15 2HD2 LEU 15 -0.407 -4.925 6.874 139 H GLU 16 H GLU 16 -2.858 -6.916 7.125 140 HA GLU 16 HA GLU 16 -4.041 -9.647 7.362 141 HB2 GLU 16 HB2 GLU 16 -2.149 -9.144 8.970 142 HB3 GLU 16 HB3 GLU 16 -3.103 -7.867 9.671 143 HG2 GLU 16 HG2 GLU 16 -4.632 -9.408 10.641 144 HG3 GLU 16 HG3 GLU 16 -4.179 -10.687 9.494 145 H VAL 17 H VAL 17 -6.017 -9.116 6.465 146 HA VAL 17 HA VAL 17 -7.598 -6.793 7.434 147 HB VAL 17 HB VAL 17 -7.851 -5.909 5.168 148 HG11 VAL 17 1HG1 VAL 17 -5.764 -4.798 4.910 149 HG12 VAL 17 2HG1 VAL 17 -6.041 -5.019 6.644 150 HG13 VAL 17 3HG1 VAL 17 -4.887 -6.064 5.783 151 HG21 VAL 17 3HG2 VAL 17 -6.349 -6.586 3.339 152 HG22 VAL 17 1HG2 VAL 17 -5.757 -7.945 4.315 153 HG23 VAL 17 2HG2 VAL 17 -7.462 -7.881 3.794 154 H GLU 18 H GLU 18 -9.765 -6.636 6.349 155 HA GLU 18 HA GLU 18 -10.984 -9.336 6.025 156 HB2 GLU 18 HB2 GLU 18 -12.125 -6.531 6.332 157 HB3 GLU 18 HB3 GLU 18 -13.063 -7.913 5.813 158 HG2 GLU 18 HG2 GLU 18 -11.810 -8.934 8.059 159 HG3 GLU 18 HG3 GLU 18 -12.018 -7.250 8.516 160 HA PRO 19 HA PRO 19 -11.471 -8.745 1.529 161 HB2 PRO 19 HB2 PRO 19 -13.717 -10.153 0.985 162 HB3 PRO 19 HB3 PRO 19 -12.211 -10.976 1.493 163 HG2 PRO 19 HG2 PRO 19 -14.582 -10.207 3.232 164 HG3 PRO 19 HG3 PRO 19 -13.781 -11.802 3.121 165 HD2 PRO 19 HD2 PRO 19 -13.175 -9.976 5.065 166 HD3 PRO 19 HD3 PRO 19 -11.939 -11.060 4.384 167 H SER 20 H SER 20 -13.698 -7.735 3.981 168 HA SER 20 HA SER 20 -15.406 -6.086 2.276 169 HB2 SER 20 HB2 SER 20 -16.457 -5.472 4.378 170 HB3 SER 20 HB3 SER 20 -16.220 -7.227 4.372 171 HG SER 20 HG SER 20 -15.088 -6.938 6.192 172 H ASP 21 H ASP 21 -12.219 -5.714 3.579 173 HA ASP 21 HA ASP 21 -12.382 -2.953 4.169 174 HB2 ASP 21 HB2 ASP 21 -10.053 -4.768 3.730 175 HB3 ASP 21 HB3 ASP 21 -9.840 -3.036 3.781 176 H THR 22 H THR 22 -12.174 -1.150 3.188 177 HA THR 22 HA THR 22 -12.304 -1.039 0.321 178 HB THR 22 HB THR 22 -12.810 1.153 0.399 179 HG1 THR 22 HG1 THR 22 -12.207 1.928 2.836 180 HG21 THR 22 1HG2 THR 22 -13.683 0.334 3.197 181 HG22 THR 22 2HG2 THR 22 -14.538 -0.104 1.696 182 HG23 THR 22 3HG2 THR 22 -14.385 1.606 2.166 183 H ILE 23 H ILE 23 -11.048 0.252 -1.090 184 HA ILE 23 HA ILE 23 -8.180 -0.230 -0.851 185 HB ILE 23 HB ILE 23 -9.819 1.396 -2.904 186 HG12 ILE 23 2HG1 ILE 23 -10.463 -0.970 -2.915 187 HG13 ILE 23 3HG1 ILE 23 -9.578 -0.554 -4.349 188 HG21 ILE 23 1HG2 ILE 23 -7.612 2.132 -3.191 189 HG22 ILE 23 2HG2 ILE 23 -6.880 0.527 -2.885 190 HG23 ILE 23 3HG2 ILE 23 -7.777 0.876 -4.381 191 HD11 ILE 23 3HD1 ILE 23 -7.545 -1.688 -3.438 192 HD12 ILE 23 1HD1 ILE 23 -8.474 -2.123 -1.984 193 HD13 ILE 23 2HD1 ILE 23 -8.932 -2.772 -3.566 194 H GLU 24 H GLU 24 -10.112 2.239 0.577 195 HA GLU 24 HA GLU 24 -7.623 3.847 1.059 196 HB2 GLU 24 HB2 GLU 24 -9.051 5.407 2.256 197 HB3 GLU 24 HB3 GLU 24 -9.288 5.333 0.619 198 HG2 GLU 24 HG2 GLU 24 -11.366 4.033 0.875 199 HG3 GLU 24 HG3 GLU 24 -11.133 4.148 2.667 200 H ASN 25 H ASN 25 -10.022 1.795 2.825 201 HA ASN 25 HA ASN 25 -9.041 1.938 5.396 202 HB2 ASN 25 HB2 ASN 25 -10.163 -0.406 3.713 203 HB3 ASN 25 HB3 ASN 25 -9.629 -0.549 5.542 204 HD21 ASN 25 1HD2 ASN 25 -11.535 -1.126 6.122 205 HD22 ASN 25 2HD2 ASN 25 -12.999 -0.033 6.297 206 H VAL 26 H VAL 26 -7.899 -0.428 2.931 207 HA VAL 26 HA VAL 26 -5.807 -1.434 4.588 208 HB VAL 26 HB VAL 26 -6.029 -1.579 1.580 209 HG11 VAL 26 1HG1 VAL 26 -4.510 -3.350 3.550 210 HG12 VAL 26 2HG1 VAL 26 -4.738 -3.706 1.825 211 HG13 VAL 26 3HG1 VAL 26 -3.802 -2.297 2.313 212 HG21 VAL 26 3HG2 VAL 26 -8.056 -2.513 2.431 213 HG22 VAL 26 1HG2 VAL 26 -7.029 -3.901 2.143 214 HG23 VAL 26 2HG2 VAL 26 -7.238 -3.300 3.791 215 H LYS 27 H LYS 27 -5.866 1.202 2.246 216 HA LYS 27 HA LYS 27 -2.966 1.658 2.268 217 HB2 LYS 27 HB2 LYS 27 -5.351 3.027 1.062 218 HB3 LYS 27 HB3 LYS 27 -4.066 4.094 1.591 219 HG2 LYS 27 HG2 LYS 27 -3.481 3.697 -0.587 220 HG3 LYS 27 HG3 LYS 27 -2.409 2.648 0.297 221 HD2 LYS 27 HD2 LYS 27 -3.173 0.809 -0.760 222 HD3 LYS 27 HD3 LYS 27 -4.848 1.176 -0.370 223 HE2 LYS 27 HE2 LYS 27 -3.259 2.284 -2.738 224 HE3 LYS 27 HE3 LYS 27 -4.516 1.044 -2.799 225 HZ1 LYS 27 HZ1 LYS 27 -4.931 3.890 -2.071 226 HZ2 LYS 27 HZ2 LYS 27 -6.081 2.727 -1.935 227 HZ3 LYS 27 HZ3 LYS 27 -5.467 3.107 -3.420 228 H ALA 28 H ALA 28 -5.492 2.387 4.521 229 HA ALA 28 HA ALA 28 -3.737 4.287 5.989 230 HB1 ALA 28 HB1 ALA 28 -5.640 4.473 7.520 231 HB2 ALA 28 HB2 ALA 28 -6.159 4.729 5.846 232 HB3 ALA 28 HB3 ALA 28 -6.511 3.188 6.657 233 H LYS 29 H LYS 29 -5.230 1.036 6.618 234 HA LYS 29 HA LYS 29 -3.919 0.526 9.066 235 HB2 LYS 29 HB2 LYS 29 -4.828 -1.428 6.933 236 HB3 LYS 29 HB3 LYS 29 -4.260 -1.914 8.537 237 HG2 LYS 29 HG2 LYS 29 -6.086 -0.602 9.600 238 HG3 LYS 29 HG3 LYS 29 -6.672 -0.135 7.997 239 HD2 LYS 29 HD2 LYS 29 -8.021 -1.943 8.189 240 HD3 LYS 29 HD3 LYS 29 -6.622 -2.831 7.642 241 HE2 LYS 29 HE2 LYS 29 -7.592 -3.992 9.491 242 HE3 LYS 29 HE3 LYS 29 -6.006 -3.387 9.980 243 HZ1 LYS 29 HZ1 LYS 29 -8.511 -1.944 10.637 244 HZ2 LYS 29 HZ2 LYS 29 -7.015 -1.773 11.360 245 HZ3 LYS 29 HZ3 LYS 29 -7.934 -3.128 11.579 246 H ILE 30 H ILE 30 -2.511 0.189 5.840 247 HA ILE 30 HA ILE 30 -0.236 -1.332 6.629 248 HB ILE 30 HB ILE 30 -1.039 -0.879 4.296 249 HG12 ILE 30 2HG1 ILE 30 1.880 -0.346 4.866 250 HG13 ILE 30 3HG1 ILE 30 1.135 -1.914 4.782 251 HG21 ILE 30 1HG2 ILE 30 -1.259 1.634 4.612 252 HG22 ILE 30 2HG2 ILE 30 0.510 1.713 4.449 253 HG23 ILE 30 3HG2 ILE 30 -0.490 1.112 3.111 254 HD11 ILE 30 3HD1 ILE 30 0.485 -1.447 2.378 255 HD12 ILE 30 1HD1 ILE 30 1.503 0.018 2.464 256 HD13 ILE 30 2HD1 ILE 30 2.232 -1.589 2.677 257 H GLN 31 H GLN 31 -0.864 2.153 7.100 258 HA GLN 31 HA GLN 31 1.906 2.720 7.863 259 HB2 GLN 31 HB2 GLN 31 -0.706 4.262 8.209 260 HB3 GLN 31 HB3 GLN 31 0.798 4.766 8.934 261 HG2 GLN 31 HG2 GLN 31 1.070 5.971 7.061 262 HG3 GLN 31 HG3 GLN 31 1.715 4.474 6.407 263 HE21 GLN 31 1HE2 GLN 31 0.702 3.775 4.464 264 HE22 GLN 31 2HE2 GLN 31 -0.963 4.266 4.074 265 H ASP 32 H ASP 32 -0.905 1.450 9.479 266 HA ASP 32 HA ASP 32 0.152 1.759 12.190 267 HB2 ASP 32 HB2 ASP 32 -2.148 2.039 11.967 268 HB3 ASP 32 HB3 ASP 32 -2.337 0.615 10.971 269 H LYS 33 H LYS 33 -0.326 -0.989 10.005 270 HA LYS 33 HA LYS 33 0.709 -2.944 11.793 271 HB2 LYS 33 HB2 LYS 33 -0.832 -2.961 9.595 272 HB3 LYS 33 HB3 LYS 33 0.662 -3.415 8.803 273 HG2 LYS 33 HG2 LYS 33 -0.522 -4.874 11.221 274 HG3 LYS 33 HG3 LYS 33 -0.957 -5.236 9.554 275 HD2 LYS 33 HD2 LYS 33 1.493 -5.737 9.106 276 HD3 LYS 33 HD3 LYS 33 1.759 -5.662 10.857 277 HE2 LYS 33 HE2 LYS 33 -0.325 -7.428 9.502 278 HE3 LYS 33 HE3 LYS 33 1.306 -7.988 9.886 279 HZ1 LYS 33 HZ1 LYS 33 -0.367 -6.878 12.049 280 HZ2 LYS 33 HZ2 LYS 33 0.845 -8.009 12.117 281 HZ3 LYS 33 HZ3 LYS 33 -0.617 -8.419 11.548 282 H GLU 34 H GLU 34 2.379 -1.246 9.132 283 HA GLU 34 HA GLU 34 4.989 -2.174 10.240 284 HB2 GLU 34 HB2 GLU 34 4.347 -3.789 8.532 285 HB3 GLU 34 HB3 GLU 34 4.037 -2.507 7.383 286 HG2 GLU 34 HG2 GLU 34 6.071 -3.667 6.883 287 HG3 GLU 34 HG3 GLU 34 6.383 -1.989 7.174 288 H GLY 35 H GLY 35 3.205 0.444 8.866 289 HA2 GLY 35 HA2 GLY 35 3.881 2.673 9.014 290 HA3 GLY 35 HA3 GLY 35 5.523 2.162 9.344 291 H ILE 36 H ILE 36 3.618 1.276 6.408 292 HA ILE 36 HA ILE 36 5.638 2.674 4.737 293 HB ILE 36 HB ILE 36 3.464 0.721 4.033 294 HG12 ILE 36 2HG1 ILE 36 6.534 0.358 3.954 295 HG13 ILE 36 3HG1 ILE 36 5.470 -0.170 5.362 296 HG21 ILE 36 1HG2 ILE 36 3.921 2.265 2.124 297 HG22 ILE 36 2HG2 ILE 36 5.622 1.771 2.183 298 HG23 ILE 36 3HG2 ILE 36 4.354 0.618 1.787 299 HD11 ILE 36 3HD1 ILE 36 4.262 -1.720 3.865 300 HD12 ILE 36 1HD1 ILE 36 5.322 -1.300 2.530 301 HD13 ILE 36 2HD1 ILE 36 5.970 -2.058 3.952 302 HA PRO 37 HA PRO 37 2.333 5.857 4.406 303 HB2 PRO 37 HB2 PRO 37 3.830 8.099 4.204 304 HB3 PRO 37 HB3 PRO 37 3.719 7.198 5.751 305 HG2 PRO 37 HG2 PRO 37 5.899 6.986 3.627 306 HG3 PRO 37 HG3 PRO 37 6.098 7.270 5.393 307 HD2 PRO 37 HD2 PRO 37 6.277 4.765 4.301 308 HD3 PRO 37 HD3 PRO 37 5.555 5.076 5.916 309 HA PRO 38 HA PRO 38 2.199 6.192 -0.035 310 HB2 PRO 38 HB2 PRO 38 0.625 8.392 -0.473 311 HB3 PRO 38 HB3 PRO 38 -0.000 6.859 0.183 312 HG2 PRO 38 HG2 PRO 38 0.848 9.340 1.725 313 HG3 PRO 38 HG3 PRO 38 -0.667 8.398 1.890 314 HD2 PRO 38 HD2 PRO 38 1.425 7.984 3.559 315 HD3 PRO 38 HD3 PRO 38 0.437 6.605 2.974 316 H ASP 39 H ASP 39 3.329 9.099 1.717 317 HA ASP 39 HA ASP 39 4.307 10.423 -0.587 318 HB2 ASP 39 HB2 ASP 39 4.818 10.822 2.339 319 HB3 ASP 39 HB3 ASP 39 5.690 11.756 1.130 320 H GLN 40 H GLN 40 5.609 7.638 0.570 321 HA GLN 40 HA GLN 40 8.350 8.284 -0.545 322 HB2 GLN 40 HB2 GLN 40 8.315 7.615 1.762 323 HB3 GLN 40 HB3 GLN 40 7.390 6.155 1.423 324 HG2 GLN 40 HG2 GLN 40 9.675 5.605 1.846 325 HG3 GLN 40 HG3 GLN 40 9.339 5.240 0.197 326 HE21 GLN 40 1HE2 GLN 40 10.159 6.866 -1.469 327 HE22 GLN 40 2HE2 GLN 40 11.554 7.863 -1.003 328 H ASN 41 H ASN 41 5.443 6.397 -1.314 329 HA ASN 41 HA ASN 41 6.796 4.809 -3.422 330 HB2 ASN 41 HB2 ASN 41 6.460 2.682 -2.199 331 HB3 ASN 41 HB3 ASN 41 7.506 3.743 -1.267 332 HD21 ASN 41 1HD2 ASN 41 6.838 4.345 0.776 333 HD22 ASN 41 2HD2 ASN 41 5.197 4.129 1.356 334 H ARG 42 H ARG 42 5.058 2.967 -4.127 335 HA ARG 42 HA ARG 42 2.243 3.754 -3.656 336 HB2 ARG 42 HB2 ARG 42 3.706 4.629 -6.071 337 HB3 ARG 42 HB3 ARG 42 2.371 3.536 -6.518 338 HG2 ARG 42 HG2 ARG 42 0.768 4.915 -5.320 339 HG3 ARG 42 HG3 ARG 42 2.009 5.945 -4.708 340 HD2 ARG 42 HD2 ARG 42 2.600 6.735 -6.919 341 HD3 ARG 42 HD3 ARG 42 1.456 5.582 -7.654 342 HE ARG 42 HE ARG 42 -0.311 6.873 -6.158 343 HH11 ARG 42 1HH1 ARG 42 2.179 8.368 -8.168 344 HH12 ARG 42 2HH1 ARG 42 1.250 9.819 -8.369 345 HH21 ARG 42 1HH2 ARG 42 -1.329 8.816 -6.315 346 HH22 ARG 42 2HH2 ARG 42 -0.749 10.031 -7.416 347 H LEU 43 H LEU 43 0.880 2.089 -3.758 348 HA LEU 43 HA LEU 43 1.969 -0.611 -4.084 349 HB2 LEU 43 HB2 LEU 43 -0.722 0.527 -3.186 350 HB3 LEU 43 HB3 LEU 43 -0.483 -1.194 -3.460 351 HG LEU 43 HG LEU 43 -0.372 -0.651 -1.116 352 HD11 LEU 43 1HD1 LEU 43 2.361 -1.527 -2.111 353 HD12 LEU 43 2HD1 LEU 43 0.927 -2.568 -1.995 354 HD13 LEU 43 3HD1 LEU 43 1.631 -1.862 -0.530 355 HD21 LEU 43 3HD2 LEU 43 1.405 0.586 -0.067 356 HD22 LEU 43 1HD2 LEU 43 0.610 1.638 -1.245 357 HD23 LEU 43 2HD2 LEU 43 2.191 0.908 -1.613 358 H ILE 44 H ILE 44 2.011 -1.679 -5.928 359 HA ILE 44 HA ILE 44 -0.182 -1.236 -7.962 360 HB ILE 44 HB ILE 44 2.539 -2.516 -8.322 361 HG12 ILE 44 2HG1 ILE 44 2.862 -0.180 -7.933 362 HG13 ILE 44 3HG1 ILE 44 3.169 -0.542 -9.620 363 HG21 ILE 44 1HG2 ILE 44 0.993 -3.454 -9.946 364 HG22 ILE 44 2HG2 ILE 44 0.410 -1.837 -10.394 365 HG23 ILE 44 3HG2 ILE 44 2.074 -2.328 -10.764 366 HD11 ILE 44 3HD1 ILE 44 0.956 0.432 -10.246 367 HD12 ILE 44 1HD1 ILE 44 0.658 0.820 -8.536 368 HD13 ILE 44 2HD1 ILE 44 1.995 1.590 -9.401 369 H PHE 45 H PHE 45 -1.540 -2.893 -8.611 370 HA PHE 45 HA PHE 45 -0.660 -5.640 -7.925 371 HB2 PHE 45 HB2 PHE 45 -2.153 -5.285 -6.174 372 HB3 PHE 45 HB3 PHE 45 -3.365 -4.625 -7.232 373 HD1 PHE 45 HD1 PHE 45 -1.478 -7.779 -6.546 374 HD2 PHE 45 HD2 PHE 45 -5.053 -6.017 -8.210 375 HE1 PHE 45 HE1 PHE 45 -2.431 -10.031 -6.899 376 HE2 PHE 45 HE2 PHE 45 -6.012 -8.284 -8.508 377 HZ PHE 45 HZ PHE 45 -4.713 -10.292 -7.860 378 H ALA 46 H ALA 46 -0.693 -7.124 -9.443 379 HA ALA 46 HA ALA 46 -0.614 -7.824 -11.628 380 HB1 ALA 46 HB1 ALA 46 -2.592 -8.824 -10.615 381 HB2 ALA 46 HB2 ALA 46 -3.597 -7.466 -11.167 382 HB3 ALA 46 HB3 ALA 46 -2.833 -8.558 -12.348 383 H GLY 47 H GLY 47 0.352 -5.496 -11.960 384 HA2 GLY 47 HA2 GLY 47 0.887 -3.961 -13.586 385 HA3 GLY 47 HA3 GLY 47 -0.437 -4.620 -14.603 386 H LYS 48 H LYS 48 -1.997 -3.711 -11.800 387 HA LYS 48 HA LYS 48 -2.799 -1.084 -12.976 388 HB2 LYS 48 HB2 LYS 48 -4.329 -3.027 -11.205 389 HB3 LYS 48 HB3 LYS 48 -4.967 -1.522 -11.864 390 HG2 LYS 48 HG2 LYS 48 -4.846 -2.363 -14.135 391 HG3 LYS 48 HG3 LYS 48 -3.924 -3.764 -13.629 392 HD2 LYS 48 HD2 LYS 48 -6.023 -4.327 -12.127 393 HD3 LYS 48 HD3 LYS 48 -6.859 -3.190 -13.205 394 HE2 LYS 48 HE2 LYS 48 -7.166 -5.394 -14.114 395 HE3 LYS 48 HE3 LYS 48 -6.024 -4.556 -15.169 396 HZ1 LYS 48 HZ1 LYS 48 -5.324 -6.541 -13.078 397 HZ2 LYS 48 HZ2 LYS 48 -4.209 -5.756 -13.967 398 HZ3 LYS 48 HZ3 LYS 48 -5.254 -6.798 -14.683 399 H GLN 49 H GLN 49 -3.028 0.698 -11.798 400 HA GLN 49 HA GLN 49 -1.918 0.882 -9.055 401 HB2 GLN 49 HB2 GLN 49 -1.680 2.587 -10.941 402 HB3 GLN 49 HB3 GLN 49 -3.376 2.969 -10.773 403 HG2 GLN 49 HG2 GLN 49 -1.432 3.148 -8.425 404 HG3 GLN 49 HG3 GLN 49 -1.525 4.422 -9.632 405 HE21 GLN 49 1HE2 GLN 49 -4.232 4.863 -10.093 406 HE22 GLN 49 2HE2 GLN 49 -4.966 5.294 -8.562 407 H LEU 50 H LEU 50 -3.333 1.754 -7.283 408 HA LEU 50 HA LEU 50 -6.059 0.533 -7.350 409 HB2 LEU 50 HB2 LEU 50 -3.946 0.537 -5.169 410 HB3 LEU 50 HB3 LEU 50 -5.592 -0.102 -4.987 411 HG LEU 50 HG LEU 50 -3.481 -1.200 -6.917 412 HD11 LEU 50 1HD1 LEU 50 -4.551 -2.254 -4.264 413 HD12 LEU 50 2HD1 LEU 50 -2.920 -1.596 -4.563 414 HD13 LEU 50 3HD1 LEU 50 -3.427 -3.098 -5.348 415 HD21 LEU 50 3HD2 LEU 50 -6.289 -2.154 -6.186 416 HD22 LEU 50 1HD2 LEU 50 -5.100 -3.118 -7.089 417 HD23 LEU 50 2HD2 LEU 50 -5.720 -1.625 -7.782 418 H GLU 51 H GLU 51 -7.330 2.298 -7.613 419 HA GLU 51 HA GLU 51 -6.837 4.780 -6.096 420 HB2 GLU 51 HB2 GLU 51 -7.424 4.635 -8.524 421 HB3 GLU 51 HB3 GLU 51 -9.039 4.098 -8.076 422 HG2 GLU 51 HG2 GLU 51 -9.339 6.228 -6.784 423 HG3 GLU 51 HG3 GLU 51 -7.732 6.746 -7.305 424 H ASP 52 H ASP 52 -8.282 5.748 -4.627 425 HA ASP 52 HA ASP 52 -9.672 4.031 -2.869 426 HB2 ASP 52 HB2 ASP 52 -10.502 6.288 -1.879 427 HB3 ASP 52 HB3 ASP 52 -8.862 5.711 -1.707 428 H GLY 53 H GLY 53 -11.856 4.378 -1.990 429 HA2 GLY 53 HA2 GLY 53 -14.158 4.599 -2.258 430 HA3 GLY 53 HA3 GLY 53 -13.945 4.950 -3.968 431 H ARG 54 H ARG 54 -12.272 2.240 -4.050 432 HA ARG 54 HA ARG 54 -14.653 0.425 -4.278 433 HB2 ARG 54 HB2 ARG 54 -11.830 -0.003 -5.346 434 HB3 ARG 54 HB3 ARG 54 -13.271 -0.979 -5.643 435 HG2 ARG 54 HG2 ARG 54 -14.274 1.262 -6.630 436 HG3 ARG 54 HG3 ARG 54 -12.563 1.709 -6.772 437 HD2 ARG 54 HD2 ARG 54 -12.226 -0.578 -7.900 438 HD3 ARG 54 HD3 ARG 54 -13.992 -0.696 -7.977 439 HE ARG 54 HE ARG 54 -13.789 1.606 -9.243 440 HH11 ARG 54 1HH1 ARG 54 -11.529 -1.082 -9.718 441 HH12 ARG 54 2HH1 ARG 54 -11.036 -0.390 -11.263 442 HH21 ARG 54 1HH2 ARG 54 -13.105 2.271 -11.132 443 HH22 ARG 54 2HH2 ARG 54 -11.859 1.364 -12.026 444 H THR 55 H THR 55 -14.031 -1.991 -3.874 445 HA THR 55 HA THR 55 -12.655 -2.269 -1.244 446 HB THR 55 HB THR 55 -13.875 -4.194 -0.797 447 HG1 THR 55 HG1 THR 55 -14.961 -4.024 -3.400 448 HG21 THR 55 1HG2 THR 55 -15.913 -2.391 -2.173 449 HG22 THR 55 2HG2 THR 55 -15.259 -2.136 -0.538 450 HG23 THR 55 3HG2 THR 55 -16.206 -3.591 -0.901 451 H LEU 56 H LEU 56 -11.511 -4.373 -0.825 452 HA LEU 56 HA LEU 56 -9.503 -5.074 -2.762 453 HB2 LEU 56 HB2 LEU 56 -10.818 -6.638 -0.530 454 HB3 LEU 56 HB3 LEU 56 -9.385 -7.209 -1.389 455 HG LEU 56 HG LEU 56 -9.513 -4.743 0.409 456 HD11 LEU 56 1HD1 LEU 56 -9.502 -7.031 1.461 457 HD12 LEU 56 2HD1 LEU 56 -8.110 -6.039 1.872 458 HD13 LEU 56 3HD1 LEU 56 -7.949 -7.353 0.675 459 HD21 LEU 56 3HD2 LEU 56 -7.037 -4.675 0.076 460 HD22 LEU 56 1HD2 LEU 56 -7.915 -4.318 -1.406 461 HD23 LEU 56 2HD2 LEU 56 -7.187 -5.923 -1.166 462 H SER 57 H SER 57 -12.709 -6.497 -2.094 463 HA SER 57 HA SER 57 -12.638 -8.663 -3.922 464 HB2 SER 57 HB2 SER 57 -14.359 -8.277 -2.145 465 HB3 SER 57 HB3 SER 57 -15.025 -6.958 -3.115 466 HG SER 57 HG SER 57 -15.111 -8.714 -4.829 467 H ASP 58 H ASP 58 -13.125 -5.223 -4.530 468 HA ASP 58 HA ASP 58 -14.247 -5.557 -7.206 469 HB2 ASP 58 HB2 ASP 58 -13.126 -3.187 -5.712 470 HB3 ASP 58 HB3 ASP 58 -13.767 -3.063 -7.330 471 H TYR 59 H TYR 59 -10.980 -5.011 -5.994 472 HA TYR 59 HA TYR 59 -9.925 -5.012 -8.737 473 HB2 TYR 59 HB2 TYR 59 -8.661 -4.340 -6.123 474 HB3 TYR 59 HB3 TYR 59 -7.686 -4.699 -7.527 475 HD1 TYR 59 HD2 TYR 59 -7.717 -3.255 -9.549 476 HD2 TYR 59 HD1 TYR 59 -9.847 -2.218 -5.954 477 HE1 TYR 59 HE2 TYR 59 -7.671 -0.849 -10.220 478 HE2 TYR 59 HE1 TYR 59 -9.766 0.204 -6.619 479 HH TYR 59 HH TYR 59 -8.560 1.327 -9.728 480 H ASN 60 H ASN 60 -11.050 -7.431 -7.132 481 HA ASN 60 HA ASN 60 -10.679 -9.605 -6.755 482 HB2 ASN 60 HB2 ASN 60 -10.694 -9.615 -9.252 483 HB3 ASN 60 HB3 ASN 60 -8.916 -9.540 -9.228 484 HD21 ASN 60 1HD2 ASN 60 -8.622 -11.590 -10.213 485 HD22 ASN 60 2HD2 ASN 60 -9.141 -13.091 -9.425 486 H ILE 61 H ILE 61 -9.083 -7.912 -5.193 487 HA ILE 61 HA ILE 61 -6.455 -9.218 -4.901 488 HB ILE 61 HB ILE 61 -7.725 -7.134 -3.111 489 HG12 ILE 61 2HG1 ILE 61 -5.792 -6.791 -5.443 490 HG13 ILE 61 3HG1 ILE 61 -7.473 -6.281 -5.418 491 HG21 ILE 61 1HG2 ILE 61 -4.807 -8.029 -3.446 492 HG22 ILE 61 2HG2 ILE 61 -5.399 -6.828 -2.290 493 HG23 ILE 61 3HG2 ILE 61 -5.855 -8.509 -2.096 494 HD11 ILE 61 3HD1 ILE 61 -6.099 -4.357 -5.088 495 HD12 ILE 61 1HD1 ILE 61 -6.978 -4.683 -3.585 496 HD13 ILE 61 2HD1 ILE 61 -5.248 -5.098 -3.727 497 H GLN 62 H GLN 62 -7.538 -11.254 -4.855 498 HA GLN 62 HA GLN 62 -9.116 -12.145 -2.639 499 HB2 GLN 62 HB2 GLN 62 -8.775 -14.389 -3.592 500 HB3 GLN 62 HB3 GLN 62 -9.258 -13.188 -4.774 501 HG2 GLN 62 HG2 GLN 62 -6.790 -13.024 -5.471 502 HG3 GLN 62 HG3 GLN 62 -6.491 -14.420 -4.429 503 HE21 GLN 62 1HE2 GLN 62 -8.854 -13.403 -7.038 504 HE22 GLN 62 2HE2 GLN 62 -8.900 -15.005 -7.752 505 H LYS 63 H LYS 63 -8.374 -14.214 -1.412 506 HA LYS 63 HA LYS 63 -6.454 -13.422 0.557 507 HB2 LYS 63 HB2 LYS 63 -6.973 -15.441 1.655 508 HB3 LYS 63 HB3 LYS 63 -8.439 -15.012 0.798 509 HG2 LYS 63 HG2 LYS 63 -7.101 -16.662 -1.069 510 HG3 LYS 63 HG3 LYS 63 -6.727 -17.384 0.482 511 HD2 LYS 63 HD2 LYS 63 -8.645 -18.483 -0.363 512 HD3 LYS 63 HD3 LYS 63 -9.256 -17.434 0.927 513 HE2 LYS 63 HE2 LYS 63 -10.005 -15.773 -0.727 514 HE3 LYS 63 HE3 LYS 63 -9.181 -16.652 -2.024 515 HZ1 LYS 63 HZ1 LYS 63 -11.614 -17.623 -0.593 516 HZ2 LYS 63 HZ2 LYS 63 -10.794 -18.462 -1.757 517 HZ3 LYS 63 HZ3 LYS 63 -11.505 -17.070 -2.114 518 H GLU 64 H GLU 64 -4.351 -14.130 0.999 519 HA GLU 64 HA GLU 64 -2.212 -14.653 0.557 520 HB2 GLU 64 HB2 GLU 64 -3.344 -16.771 -1.295 521 HB3 GLU 64 HB3 GLU 64 -1.661 -16.650 -0.807 522 HG2 GLU 64 HG2 GLU 64 -2.171 -17.025 1.511 523 HG3 GLU 64 HG3 GLU 64 -3.907 -16.914 1.225 524 H SER 65 H SER 65 -3.893 -12.843 -1.506 525 HA SER 65 HA SER 65 -2.411 -12.742 -3.865 526 HB2 SER 65 HB2 SER 65 -4.519 -11.624 -3.684 527 HB3 SER 65 HB3 SER 65 -3.889 -10.543 -2.427 528 HG SER 65 HG SER 65 -3.920 -9.662 -4.610 529 H THR 66 H THR 66 -0.675 -11.696 -4.633 530 HA THR 66 HA THR 66 1.109 -10.253 -2.734 531 HB THR 66 HB THR 66 1.972 -11.740 -5.202 532 HG1 THR 66 HG1 THR 66 1.191 -13.033 -3.402 533 HG21 THR 66 1HG2 THR 66 3.529 -9.919 -4.568 534 HG22 THR 66 2HG2 THR 66 4.228 -11.514 -4.236 535 HG23 THR 66 3HG2 THR 66 3.572 -10.543 -2.898 536 H LEU 67 H LEU 67 0.901 -8.190 -2.920 537 HA LEU 67 HA LEU 67 0.471 -6.799 -5.499 538 HB2 LEU 67 HB2 LEU 67 0.936 -5.781 -2.652 539 HB3 LEU 67 HB3 LEU 67 0.632 -4.793 -4.062 540 HG LEU 67 HG LEU 67 -1.563 -6.297 -4.273 541 HD11 LEU 67 1HD1 LEU 67 -2.571 -6.750 -2.060 542 HD12 LEU 67 2HD1 LEU 67 -1.009 -6.397 -1.281 543 HD13 LEU 67 3HD1 LEU 67 -1.186 -7.793 -2.361 544 HD21 LEU 67 3HD2 LEU 67 -2.773 -4.568 -3.019 545 HD22 LEU 67 1HD2 LEU 67 -1.472 -3.843 -3.974 546 HD23 LEU 67 2HD2 LEU 67 -1.262 -4.068 -2.223 547 H HIS 68 H HIS 68 2.005 -5.271 -6.304 548 HA HIS 68 HA HIS 68 4.863 -5.563 -5.465 549 HB2 HIS 68 HB2 HIS 68 3.733 -4.544 -8.092 550 HB3 HIS 68 HB3 HIS 68 5.386 -4.368 -7.571 551 HD1 HIS 68 HD1 HIS 68 3.239 -7.605 -7.962 552 HD2 HIS 68 HD2 HIS 68 7.026 -6.013 -8.525 553 HE1 HIS 68 HE1 HIS 68 4.671 -9.437 -8.962 554 H LEU 69 H LEU 69 6.038 -3.944 -5.290 555 HA LEU 69 HA LEU 69 4.553 -1.443 -4.639 556 HB2 LEU 69 HB2 LEU 69 6.046 -2.558 -2.968 557 HB3 LEU 69 HB3 LEU 69 7.399 -2.273 -4.048 558 HG LEU 69 HG LEU 69 7.195 0.104 -3.632 559 HD11 LEU 69 1HD1 LEU 69 4.861 0.527 -3.296 560 HD12 LEU 69 2HD1 LEU 69 5.597 0.759 -1.697 561 HD13 LEU 69 3HD1 LEU 69 4.788 -0.742 -2.053 562 HD21 LEU 69 3HD2 LEU 69 7.810 0.127 -1.274 563 HD22 LEU 69 1HD2 LEU 69 8.600 -1.192 -2.177 564 HD23 LEU 69 2HD2 LEU 69 7.194 -1.528 -1.135 565 H VAL 70 H VAL 70 5.266 0.513 -5.387 566 HA VAL 70 HA VAL 70 7.936 0.485 -6.675 567 HB VAL 70 HB VAL 70 6.874 2.925 -7.673 568 HG11 VAL 70 1HG1 VAL 70 7.219 1.947 -9.773 569 HG12 VAL 70 2HG1 VAL 70 8.517 1.473 -8.658 570 HG13 VAL 70 3HG1 VAL 70 7.213 0.326 -9.059 571 HG21 VAL 70 3HG2 VAL 70 4.788 0.875 -8.277 572 HG22 VAL 70 1HG2 VAL 70 4.564 2.312 -7.241 573 HG23 VAL 70 2HG2 VAL 70 4.962 2.511 -8.952 574 H LEU 71 H LEU 71 8.901 2.583 -6.689 575 HA LEU 71 HA LEU 71 8.600 4.265 -4.399 576 HB2 LEU 71 HB2 LEU 71 10.178 4.173 -6.831 577 HB3 LEU 71 HB3 LEU 71 9.611 5.775 -6.625 578 HG LEU 71 HG LEU 71 11.905 5.032 -5.719 579 HD11 LEU 71 1HD1 LEU 71 11.868 6.667 -3.909 580 HD12 LEU 71 2HD1 LEU 71 10.098 6.680 -3.939 581 HD13 LEU 71 3HD1 LEU 71 11.026 7.245 -5.353 582 HD21 LEU 71 3HD2 LEU 71 12.126 4.221 -3.504 583 HD22 LEU 71 1HD2 LEU 71 11.065 3.089 -4.353 584 HD23 LEU 71 2HD2 LEU 71 10.386 4.268 -3.206 585 H ARG 72 H ARG 72 8.302 6.504 -4.566 586 HA ARG 72 HA ARG 72 6.148 7.404 -6.408 587 HB2 ARG 72 HB2 ARG 72 5.482 7.447 -4.023 588 HB3 ARG 72 HB3 ARG 72 6.880 8.452 -3.677 589 HG2 ARG 72 HG2 ARG 72 5.695 10.036 -5.558 590 HG3 ARG 72 HG3 ARG 72 4.261 9.149 -4.964 591 HD2 ARG 72 HD2 ARG 72 4.939 9.779 -2.633 592 HD3 ARG 72 HD3 ARG 72 6.249 10.747 -3.275 593 HE ARG 72 HE ARG 72 3.519 11.511 -2.983 594 HH11 ARG 72 1HH1 ARG 72 6.095 12.141 -5.369 595 HH12 ARG 72 2HH1 ARG 72 5.069 13.360 -6.110 596 HH21 ARG 72 1HH2 ARG 72 2.635 13.225 -3.716 597 HH22 ARG 72 2HH2 ARG 72 3.320 14.152 -5.052 598 H LEU 73 H LEU 73 9.087 8.561 -4.791 599 HA LEU 73 HA LEU 73 10.610 10.137 -5.259 600 HB2 LEU 73 HB2 LEU 73 10.391 8.910 -7.656 601 HB3 LEU 73 HB3 LEU 73 9.814 10.503 -8.109 602 HG LEU 73 HG LEU 73 12.019 11.392 -6.999 603 HD11 LEU 73 1HD1 LEU 73 12.637 9.273 -5.841 604 HD12 LEU 73 2HD1 LEU 73 13.880 9.789 -6.985 605 HD13 LEU 73 3HD1 LEU 73 12.780 8.467 -7.421 606 HD21 LEU 73 3HD2 LEU 73 12.146 9.703 -9.530 607 HD22 LEU 73 1HD2 LEU 73 13.298 10.968 -9.058 608 HD23 LEU 73 2HD2 LEU 73 11.623 11.397 -9.427 609 H ARG 74 H ARG 74 10.939 12.463 -6.099 610 HA ARG 74 HA ARG 74 8.927 14.032 -4.739 611 HB2 ARG 74 HB2 ARG 74 11.369 14.235 -4.388 612 HB3 ARG 74 HB3 ARG 74 11.564 14.866 -6.026 613 HG2 ARG 74 HG2 ARG 74 9.638 16.269 -4.164 614 HG3 ARG 74 HG3 ARG 74 11.349 16.420 -3.826 615 HD2 ARG 74 HD2 ARG 74 10.282 17.085 -6.581 616 HD3 ARG 74 HD3 ARG 74 10.196 18.240 -5.272 617 HE ARG 74 HE ARG 74 12.637 17.267 -6.669 618 HH11 ARG 74 1HH1 ARG 74 11.400 19.410 -4.145 619 HH12 ARG 74 2HH1 ARG 74 12.915 20.275 -4.052 620 HH21 ARG 74 1HH2 ARG 74 14.564 18.290 -6.303 621 HH22 ARG 74 2HH2 ARG 74 14.636 19.637 -5.206 622 H GLY 75 H GLY 75 9.539 13.577 -8.143 623 HA2 GLY 75 HA2 GLY 75 8.278 14.330 -9.935 624 HA3 GLY 75 HA3 GLY 75 7.234 15.187 -8.833 625 H GLY 76 H GLY 76 10.766 15.666 -9.314 626 HA2 GLY 76 HA2 GLY 76 10.516 17.956 -11.051 627 HA3 GLY 76 HA3 GLY 76 10.933 18.429 -9.396 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -6.349 -12.892 8.477 2 H2 MET 1 H2 MET 1 -5.179 -13.920 7.958 3 H3 MET 1 H3 MET 1 -6.742 -14.422 8.093 4 HA MET 1 HA MET 1 -6.229 -14.039 5.765 5 HB2 MET 1 HB2 MET 1 -8.025 -12.374 5.277 6 HB3 MET 1 HB3 MET 1 -8.520 -13.672 6.346 7 HG2 MET 1 HG2 MET 1 -7.519 -11.112 7.586 8 HG3 MET 1 HG3 MET 1 -9.112 -11.118 6.862 9 HE1 MET 1 HE1 MET 1 -11.338 -13.141 9.144 10 HE2 MET 1 HE2 MET 1 -11.225 -11.763 8.029 11 HE3 MET 1 HE3 MET 1 -10.800 -13.402 7.468 12 H GLN 2 H GLN 2 -3.824 -13.344 6.152 13 HA GLN 2 HA GLN 2 -3.424 -10.487 6.485 14 HB2 GLN 2 HB2 GLN 2 -1.409 -12.739 6.071 15 HB3 GLN 2 HB3 GLN 2 -1.059 -11.081 6.530 16 HG2 GLN 2 HG2 GLN 2 -1.028 -11.965 8.612 17 HG3 GLN 2 HG3 GLN 2 -2.740 -11.609 8.555 18 HE21 GLN 2 1HE2 GLN 2 -0.400 -14.060 9.076 19 HE22 GLN 2 2HE2 GLN 2 -1.428 -15.459 8.845 20 H ILE 3 H ILE 3 -1.973 -9.228 5.240 21 HA ILE 3 HA ILE 3 -1.573 -9.948 2.384 22 HB ILE 3 HB ILE 3 -1.976 -7.682 1.654 23 HG12 ILE 3 2HG1 ILE 3 -2.859 -7.039 4.501 24 HG13 ILE 3 3HG1 ILE 3 -1.398 -6.449 3.702 25 HG21 ILE 3 1HG2 ILE 3 -4.431 -8.637 3.178 26 HG22 ILE 3 2HG2 ILE 3 -4.386 -7.690 1.675 27 HG23 ILE 3 3HG2 ILE 3 -3.836 -9.369 1.674 28 HD11 ILE 3 3HD1 ILE 3 -3.027 -4.699 3.695 29 HD12 ILE 3 1HD1 ILE 3 -2.810 -5.259 2.023 30 HD13 ILE 3 2HD1 ILE 3 -4.255 -5.738 2.953 31 H PHE 4 H PHE 4 0.312 -8.906 1.445 32 HA PHE 4 HA PHE 4 2.379 -8.286 3.493 33 HB2 PHE 4 HB2 PHE 4 2.658 -9.814 0.893 34 HB3 PHE 4 HB3 PHE 4 3.962 -9.434 2.008 35 HD1 PHE 4 HD1 PHE 4 3.653 -10.294 4.512 36 HD2 PHE 4 HD2 PHE 4 1.559 -11.886 1.090 37 HE1 PHE 4 HE1 PHE 4 3.208 -12.394 5.754 38 HE2 PHE 4 HE2 PHE 4 1.142 -13.995 2.330 39 HZ PHE 4 HZ PHE 4 1.936 -14.246 4.669 40 H VAL 5 H VAL 5 3.925 -6.721 3.077 41 HA VAL 5 HA VAL 5 3.718 -5.234 0.501 42 HB VAL 5 HB VAL 5 4.639 -3.926 3.046 43 HG11 VAL 5 1HG1 VAL 5 4.282 -1.849 1.753 44 HG12 VAL 5 2HG1 VAL 5 5.522 -2.870 1.038 45 HG13 VAL 5 3HG1 VAL 5 3.896 -2.823 0.312 46 HG21 VAL 5 3HG2 VAL 5 2.480 -2.716 3.052 47 HG22 VAL 5 1HG2 VAL 5 1.897 -3.766 1.741 48 HG23 VAL 5 2HG2 VAL 5 2.263 -4.442 3.344 49 H LYS 6 H LYS 6 5.479 -4.882 -0.679 50 HA LYS 6 HA LYS 6 8.086 -6.087 0.180 51 HB2 LYS 6 HB2 LYS 6 7.206 -7.125 -1.801 52 HB3 LYS 6 HB3 LYS 6 6.672 -5.599 -2.459 53 HG2 LYS 6 HG2 LYS 6 8.451 -6.279 -3.780 54 HG3 LYS 6 HG3 LYS 6 9.020 -4.891 -2.862 55 HD2 LYS 6 HD2 LYS 6 10.341 -6.440 -1.394 56 HD3 LYS 6 HD3 LYS 6 9.496 -7.838 -2.084 57 HE2 LYS 6 HE2 LYS 6 10.490 -6.916 -4.373 58 HE3 LYS 6 HE3 LYS 6 11.673 -6.140 -3.320 59 HZ1 LYS 6 HZ1 LYS 6 12.325 -8.378 -2.520 60 HZ2 LYS 6 HZ2 LYS 6 12.355 -8.385 -4.131 61 HZ3 LYS 6 HZ3 LYS 6 11.110 -9.074 -3.371 62 H THR 7 H THR 7 9.195 -4.452 1.221 63 HA THR 7 HA THR 7 9.238 -1.790 0.005 64 HB THR 7 HB THR 7 10.371 -0.921 1.734 65 HG1 THR 7 HG1 THR 7 11.759 -2.018 3.047 66 HG21 THR 7 1HG2 THR 7 8.248 -1.883 2.645 67 HG22 THR 7 2HG2 THR 7 9.532 -1.726 3.858 68 HG23 THR 7 3HG2 THR 7 9.157 -3.317 3.168 69 H LEU 8 H LEU 8 11.261 -0.690 -0.538 70 HA LEU 8 HA LEU 8 12.780 -2.051 -2.563 71 HB2 LEU 8 HB2 LEU 8 13.342 0.521 -0.998 72 HB3 LEU 8 HB3 LEU 8 14.321 -0.084 -2.323 73 HG LEU 8 HG LEU 8 12.239 0.021 -3.808 74 HD11 LEU 8 1HD1 LEU 8 10.614 1.817 -3.097 75 HD12 LEU 8 2HD1 LEU 8 11.247 1.695 -1.449 76 HD13 LEU 8 3HD1 LEU 8 10.423 0.306 -2.226 77 HD21 LEU 8 3HD2 LEU 8 14.113 1.613 -3.925 78 HD22 LEU 8 1HD2 LEU 8 13.383 2.590 -2.635 79 HD23 LEU 8 2HD2 LEU 8 12.575 2.429 -4.216 80 H THR 9 H THR 9 13.360 -1.503 0.904 81 HA THR 9 HA THR 9 15.958 -2.612 1.008 82 HB THR 9 HB THR 9 14.362 -2.783 3.487 83 HG1 THR 9 HG1 THR 9 14.409 -0.462 3.695 84 HG21 THR 9 1HG2 THR 9 16.907 -1.276 2.756 85 HG22 THR 9 2HG2 THR 9 16.841 -2.912 3.443 86 HG23 THR 9 3HG2 THR 9 16.267 -1.534 4.397 87 H GLY 10 H GLY 10 13.502 -4.368 -0.014 88 HA2 GLY 10 HA2 GLY 10 13.148 -6.632 -0.201 89 HA3 GLY 10 HA3 GLY 10 14.629 -6.922 0.719 90 H LYS 11 H LYS 11 12.713 -4.967 2.645 91 HA LYS 11 HA LYS 11 12.160 -7.055 4.550 92 HB2 LYS 11 HB2 LYS 11 11.192 -4.180 4.350 93 HB3 LYS 11 HB3 LYS 11 10.852 -5.216 5.721 94 HG2 LYS 11 HG2 LYS 11 13.724 -4.644 4.879 95 HG3 LYS 11 HG3 LYS 11 12.788 -3.516 5.861 96 HD2 LYS 11 HD2 LYS 11 12.353 -5.391 7.503 97 HD3 LYS 11 HD3 LYS 11 13.534 -6.372 6.609 98 HE2 LYS 11 HE2 LYS 11 15.304 -4.741 7.076 99 HE3 LYS 11 HE3 LYS 11 14.125 -3.589 7.721 100 HZ1 LYS 11 HZ1 LYS 11 15.185 -4.668 9.554 101 HZ2 LYS 11 HZ2 LYS 11 14.836 -6.170 8.991 102 HZ3 LYS 11 HZ3 LYS 11 13.648 -5.159 9.512 103 H THR 12 H THR 12 10.674 -8.566 4.324 104 HA THR 12 HA THR 12 8.092 -8.160 3.105 105 HB THR 12 HB THR 12 8.650 -10.456 4.959 106 HG1 THR 12 HG1 THR 12 10.132 -11.148 3.714 107 HG21 THR 12 1HG2 THR 12 6.384 -10.227 3.962 108 HG22 THR 12 2HG2 THR 12 7.237 -11.649 3.340 109 HG23 THR 12 3HG2 THR 12 7.113 -10.189 2.337 110 H ILE 13 H ILE 13 6.837 -6.584 3.996 111 HA ILE 13 HA ILE 13 6.409 -6.577 6.939 112 HB ILE 13 HB ILE 13 4.902 -4.850 5.002 113 HG12 ILE 13 2HG1 ILE 13 7.192 -4.447 4.319 114 HG13 ILE 13 3HG1 ILE 13 6.525 -3.064 5.152 115 HG21 ILE 13 1HG2 ILE 13 5.715 -4.488 7.908 116 HG22 ILE 13 2HG2 ILE 13 4.860 -3.282 6.927 117 HG23 ILE 13 3HG2 ILE 13 4.092 -4.834 7.277 118 HD11 ILE 13 3HD1 ILE 13 8.867 -3.475 5.807 119 HD12 ILE 13 1HD1 ILE 13 7.798 -3.641 7.205 120 HD13 ILE 13 2HD1 ILE 13 8.441 -5.090 6.400 121 H THR 14 H THR 14 4.687 -7.537 7.898 122 HA THR 14 HA THR 14 2.460 -8.532 6.200 123 HB THR 14 HB THR 14 3.005 -9.669 8.926 124 HG1 THR 14 HG1 THR 14 4.761 -10.359 7.982 125 HG21 THR 14 1HG2 THR 14 1.450 -10.601 6.487 126 HG22 THR 14 2HG2 THR 14 0.808 -10.179 8.091 127 HG23 THR 14 3HG2 THR 14 1.818 -11.617 7.899 128 H LEU 15 H LEU 15 0.388 -7.999 6.522 129 HA LEU 15 HA LEU 15 -0.288 -6.345 8.925 130 HB2 LEU 15 HB2 LEU 15 -1.126 -6.005 6.034 131 HB3 LEU 15 HB3 LEU 15 -1.980 -5.225 7.359 132 HG LEU 15 HG LEU 15 1.002 -4.819 6.933 133 HD11 LEU 15 1HD1 LEU 15 -1.290 -3.129 5.853 134 HD12 LEU 15 2HD1 LEU 15 -0.182 -4.129 4.884 135 HD13 LEU 15 3HD1 LEU 15 0.442 -2.729 5.770 136 HD21 LEU 15 3HD2 LEU 15 -1.103 -3.110 8.337 137 HD22 LEU 15 1HD2 LEU 15 0.640 -2.776 8.226 138 HD23 LEU 15 2HD2 LEU 15 0.067 -4.163 9.157 139 H GLU 16 H GLU 16 -2.123 -6.747 9.961 140 HA GLU 16 HA GLU 16 -3.646 -9.220 9.266 141 HB2 GLU 16 HB2 GLU 16 -2.093 -9.471 11.118 142 HB3 GLU 16 HB3 GLU 16 -2.817 -8.124 11.981 143 HG2 GLU 16 HG2 GLU 16 -4.839 -9.339 12.402 144 HG3 GLU 16 HG3 GLU 16 -4.441 -10.561 11.197 145 H VAL 17 H VAL 17 -5.215 -8.174 8.077 146 HA VAL 17 HA VAL 17 -7.022 -6.264 9.441 147 HB VAL 17 HB VAL 17 -7.140 -4.825 7.549 148 HG11 VAL 17 1HG1 VAL 17 -5.259 -4.430 9.150 149 HG12 VAL 17 2HG1 VAL 17 -4.180 -5.304 8.051 150 HG13 VAL 17 3HG1 VAL 17 -4.957 -3.799 7.515 151 HG21 VAL 17 3HG2 VAL 17 -5.140 -6.634 6.128 152 HG22 VAL 17 1HG2 VAL 17 -6.845 -6.394 5.684 153 HG23 VAL 17 2HG2 VAL 17 -5.704 -5.052 5.548 154 H GLU 18 H GLU 18 -9.177 -6.012 8.282 155 HA GLU 18 HA GLU 18 -10.049 -8.735 7.446 156 HB2 GLU 18 HB2 GLU 18 -11.728 -6.332 8.280 157 HB3 GLU 18 HB3 GLU 18 -12.331 -7.928 7.820 158 HG2 GLU 18 HG2 GLU 18 -10.757 -8.798 9.736 159 HG3 GLU 18 HG3 GLU 18 -10.721 -7.144 10.278 160 HA PRO 19 HA PRO 19 -10.116 -7.396 3.139 161 HB2 PRO 19 HB2 PRO 19 -11.902 -9.152 2.041 162 HB3 PRO 19 HB3 PRO 19 -10.268 -9.627 2.595 163 HG2 PRO 19 HG2 PRO 19 -12.884 -9.851 4.134 164 HG3 PRO 19 HG3 PRO 19 -11.660 -11.137 3.846 165 HD2 PRO 19 HD2 PRO 19 -11.645 -9.739 6.148 166 HD3 PRO 19 HD3 PRO 19 -10.102 -10.093 5.307 167 H SER 20 H SER 20 -12.779 -6.957 5.193 168 HA SER 20 HA SER 20 -14.439 -5.533 3.196 169 HB2 SER 20 HB2 SER 20 -15.447 -6.979 5.015 170 HB3 SER 20 HB3 SER 20 -14.875 -5.782 6.194 171 HG SER 20 HG SER 20 -16.050 -4.210 4.860 172 H ASP 21 H ASP 21 -11.713 -4.735 5.185 173 HA ASP 21 HA ASP 21 -12.508 -2.051 5.768 174 HB2 ASP 21 HB2 ASP 21 -10.006 -3.587 6.052 175 HB3 ASP 21 HB3 ASP 21 -9.738 -1.918 5.669 176 H THR 22 H THR 22 -12.003 -0.116 4.993 177 HA THR 22 HA THR 22 -11.886 0.172 2.147 178 HB THR 22 HB THR 22 -12.159 2.375 2.299 179 HG1 THR 22 HG1 THR 22 -11.349 2.995 4.799 180 HG21 THR 22 1HG2 THR 22 -13.610 3.028 4.129 181 HG22 THR 22 2HG2 THR 22 -13.093 1.643 5.112 182 HG23 THR 22 3HG2 THR 22 -14.018 1.379 3.616 183 H ILE 23 H ILE 23 -10.309 1.283 0.855 184 HA ILE 23 HA ILE 23 -7.623 0.339 1.195 185 HB ILE 23 HB ILE 23 -8.831 2.609 -0.426 186 HG12 ILE 23 2HG1 ILE 23 -9.649 0.462 -1.178 187 HG13 ILE 23 3HG1 ILE 23 -8.544 1.119 -2.355 188 HG21 ILE 23 1HG2 ILE 23 -6.577 3.244 -0.253 189 HG22 ILE 23 2HG2 ILE 23 -5.981 1.566 -0.425 190 HG23 ILE 23 3HG2 ILE 23 -6.715 2.425 -1.803 191 HD11 ILE 23 3HD1 ILE 23 -7.916 -1.130 -0.393 192 HD12 ILE 23 1HD1 ILE 23 -8.166 -1.276 -2.132 193 HD13 ILE 23 2HD1 ILE 23 -6.741 -0.422 -1.530 194 H GLU 24 H GLU 24 -9.173 3.347 2.367 195 HA GLU 24 HA GLU 24 -6.592 4.389 3.209 196 HB2 GLU 24 HB2 GLU 24 -8.674 5.733 2.359 197 HB3 GLU 24 HB3 GLU 24 -9.174 5.641 4.055 198 HG2 GLU 24 HG2 GLU 24 -7.932 7.702 3.668 199 HG3 GLU 24 HG3 GLU 24 -6.989 6.663 4.724 200 H ASN 25 H ASN 25 -9.192 2.582 4.776 201 HA ASN 25 HA ASN 25 -8.404 2.826 7.486 202 HB2 ASN 25 HB2 ASN 25 -9.616 0.542 5.915 203 HB3 ASN 25 HB3 ASN 25 -9.286 0.465 7.625 204 HD21 ASN 25 1HD2 ASN 25 -11.477 0.196 8.113 205 HD22 ASN 25 2HD2 ASN 25 -12.574 1.563 8.014 206 H VAL 26 H VAL 26 -7.171 0.642 4.932 207 HA VAL 26 HA VAL 26 -5.096 -0.542 6.580 208 HB VAL 26 HB VAL 26 -5.279 -0.351 3.567 209 HG11 VAL 26 1HG1 VAL 26 -3.882 -2.400 3.570 210 HG12 VAL 26 2HG1 VAL 26 -3.020 -1.048 4.310 211 HG13 VAL 26 3HG1 VAL 26 -3.742 -2.305 5.342 212 HG21 VAL 26 3HG2 VAL 26 -6.227 -2.688 3.762 213 HG22 VAL 26 1HG2 VAL 26 -6.323 -2.465 5.517 214 HG23 VAL 26 2HG2 VAL 26 -7.294 -1.461 4.424 215 H LYS 27 H LYS 27 -5.101 2.228 4.287 216 HA LYS 27 HA LYS 27 -2.317 2.857 4.513 217 HB2 LYS 27 HB2 LYS 27 -4.631 3.971 3.248 218 HB3 LYS 27 HB3 LYS 27 -3.985 5.243 4.254 219 HG2 LYS 27 HG2 LYS 27 -2.781 5.627 2.342 220 HG3 LYS 27 HG3 LYS 27 -1.680 4.538 3.171 221 HD2 LYS 27 HD2 LYS 27 -1.836 3.844 0.863 222 HD3 LYS 27 HD3 LYS 27 -2.617 2.618 1.861 223 HE2 LYS 27 HE2 LYS 27 -3.875 3.073 -0.215 224 HE3 LYS 27 HE3 LYS 27 -4.832 3.433 1.226 225 HZ1 LYS 27 HZ1 LYS 27 -4.816 5.649 0.803 226 HZ2 LYS 27 HZ2 LYS 27 -4.721 5.092 -0.739 227 HZ3 LYS 27 HZ3 LYS 27 -3.383 5.651 -0.001 228 H ALA 28 H ALA 28 -4.944 3.448 6.758 229 HA ALA 28 HA ALA 28 -3.265 5.147 8.489 230 HB1 ALA 28 HB1 ALA 28 -5.711 5.427 8.414 231 HB2 ALA 28 HB2 ALA 28 -5.935 3.777 9.028 232 HB3 ALA 28 HB3 ALA 28 -5.153 5.006 10.044 233 H LYS 29 H LYS 29 -4.559 1.783 8.782 234 HA LYS 29 HA LYS 29 -3.243 1.075 11.171 235 HB2 LYS 29 HB2 LYS 29 -4.050 -0.640 8.792 236 HB3 LYS 29 HB3 LYS 29 -3.452 -1.310 10.314 237 HG2 LYS 29 HG2 LYS 29 -5.315 -0.319 11.560 238 HG3 LYS 29 HG3 LYS 29 -5.939 0.436 10.085 239 HD2 LYS 29 HD2 LYS 29 -6.099 -1.890 9.064 240 HD3 LYS 29 HD3 LYS 29 -5.694 -2.556 10.649 241 HE2 LYS 29 HE2 LYS 29 -8.159 -0.920 9.876 242 HE3 LYS 29 HE3 LYS 29 -8.108 -2.633 10.215 243 HZ1 LYS 29 HZ1 LYS 29 -8.872 -1.585 12.176 244 HZ2 LYS 29 HZ2 LYS 29 -7.681 -0.450 12.172 245 HZ3 LYS 29 HZ3 LYS 29 -7.313 -1.972 12.536 246 H ILE 30 H ILE 30 -1.781 1.126 7.953 247 HA ILE 30 HA ILE 30 0.535 -0.397 8.676 248 HB ILE 30 HB ILE 30 -0.315 0.133 6.359 249 HG12 ILE 30 2HG1 ILE 30 2.630 0.606 6.920 250 HG13 ILE 30 3HG1 ILE 30 1.841 -0.966 6.856 251 HG21 ILE 30 1HG2 ILE 30 -0.496 2.622 6.717 252 HG22 ILE 30 2HG2 ILE 30 1.271 2.698 6.588 253 HG23 ILE 30 3HG2 ILE 30 0.297 2.137 5.219 254 HD11 ILE 30 3HD1 ILE 30 1.176 -0.505 4.461 255 HD12 ILE 30 1HD1 ILE 30 2.208 0.944 4.516 256 HD13 ILE 30 2HD1 ILE 30 2.916 -0.664 4.734 257 H GLN 31 H GLN 31 -0.174 3.054 9.308 258 HA GLN 31 HA GLN 31 2.605 3.618 10.017 259 HB2 GLN 31 HB2 GLN 31 -0.005 5.089 10.616 260 HB3 GLN 31 HB3 GLN 31 1.535 5.536 11.334 261 HG2 GLN 31 HG2 GLN 31 1.667 6.945 9.594 262 HG3 GLN 31 HG3 GLN 31 2.373 5.549 8.793 263 HE21 GLN 31 1HE2 GLN 31 1.282 4.811 6.878 264 HE22 GLN 31 2HE2 GLN 31 -0.400 5.271 6.566 265 H ASP 32 H ASP 32 -0.364 2.733 11.805 266 HA ASP 32 HA ASP 32 0.786 2.767 14.397 267 HB2 ASP 32 HB2 ASP 32 -1.549 3.002 14.072 268 HB3 ASP 32 HB3 ASP 32 -1.661 1.482 13.193 269 H LYS 33 H LYS 33 0.463 0.014 12.160 270 HA LYS 33 HA LYS 33 1.518 -1.886 14.045 271 HB2 LYS 33 HB2 LYS 33 0.042 -2.165 11.887 272 HB3 LYS 33 HB3 LYS 33 1.553 -2.307 11.024 273 HG2 LYS 33 HG2 LYS 33 1.303 -4.047 13.469 274 HG3 LYS 33 HG3 LYS 33 0.109 -4.329 12.227 275 HD2 LYS 33 HD2 LYS 33 1.752 -5.887 11.766 276 HD3 LYS 33 HD3 LYS 33 1.950 -4.652 10.540 277 HE2 LYS 33 HE2 LYS 33 4.092 -5.518 11.327 278 HE3 LYS 33 HE3 LYS 33 3.957 -3.795 11.675 279 HZ1 LYS 33 HZ1 LYS 33 3.625 -4.231 13.939 280 HZ2 LYS 33 HZ2 LYS 33 4.836 -5.226 13.529 281 HZ3 LYS 33 HZ3 LYS 33 3.346 -5.861 13.712 282 H GLU 34 H GLU 34 3.090 -0.098 11.433 283 HA GLU 34 HA GLU 34 5.761 -1.203 12.266 284 HB2 GLU 34 HB2 GLU 34 4.829 -2.471 10.349 285 HB3 GLU 34 HB3 GLU 34 4.632 -0.973 9.453 286 HG2 GLU 34 HG2 GLU 34 6.570 -2.153 8.675 287 HG3 GLU 34 HG3 GLU 34 7.073 -0.635 9.381 288 H GLY 35 H GLY 35 4.029 1.562 10.868 289 HA2 GLY 35 HA2 GLY 35 4.735 3.792 11.042 290 HA3 GLY 35 HA3 GLY 35 6.381 3.276 11.377 291 H ILE 36 H ILE 36 4.174 2.617 8.561 292 HA ILE 36 HA ILE 36 6.214 3.926 6.784 293 HB ILE 36 HB ILE 36 4.068 1.933 6.081 294 HG12 ILE 36 2HG1 ILE 36 7.116 1.713 6.062 295 HG13 ILE 36 3HG1 ILE 36 6.078 1.011 7.295 296 HG21 ILE 36 1HG2 ILE 36 4.426 3.594 4.248 297 HG22 ILE 36 2HG2 ILE 36 6.158 3.196 4.265 298 HG23 ILE 36 3HG2 ILE 36 4.944 1.986 3.802 299 HD11 ILE 36 3HD1 ILE 36 5.026 -0.464 5.625 300 HD12 ILE 36 1HD1 ILE 36 6.134 0.168 4.377 301 HD13 ILE 36 2HD1 ILE 36 6.773 -0.707 5.774 302 HA PRO 37 HA PRO 37 2.809 7.006 6.975 303 HB2 PRO 37 HB2 PRO 37 4.242 9.284 7.116 304 HB3 PRO 37 HB3 PRO 37 4.167 8.154 8.498 305 HG2 PRO 37 HG2 PRO 37 6.332 8.299 6.356 306 HG3 PRO 37 HG3 PRO 37 6.543 8.359 8.137 307 HD2 PRO 37 HD2 PRO 37 6.773 6.035 6.732 308 HD3 PRO 37 HD3 PRO 37 6.039 6.085 8.364 309 HA PRO 38 HA PRO 38 2.514 7.887 2.704 310 HB2 PRO 38 HB2 PRO 38 0.800 9.998 2.522 311 HB3 PRO 38 HB3 PRO 38 0.316 8.435 3.236 312 HG2 PRO 38 HG2 PRO 38 1.276 10.919 4.696 313 HG3 PRO 38 HG3 PRO 38 -0.199 9.953 5.020 314 HD2 PRO 38 HD2 PRO 38 2.109 9.568 6.413 315 HD3 PRO 38 HD3 PRO 38 1.053 8.193 5.973 316 H ASP 39 H ASP 39 4.274 10.225 4.529 317 HA ASP 39 HA ASP 39 4.660 12.111 2.351 318 HB2 ASP 39 HB2 ASP 39 6.194 13.276 3.969 319 HB3 ASP 39 HB3 ASP 39 4.481 13.180 4.336 320 H GLN 40 H GLN 40 6.145 9.214 2.982 321 HA GLN 40 HA GLN 40 8.724 10.000 1.663 322 HB2 GLN 40 HB2 GLN 40 8.652 9.097 4.024 323 HB3 GLN 40 HB3 GLN 40 8.000 7.618 3.377 324 HG2 GLN 40 HG2 GLN 40 10.233 7.123 3.696 325 HG3 GLN 40 HG3 GLN 40 10.174 7.414 1.968 326 HE21 GLN 40 1HE2 GLN 40 12.676 7.657 2.470 327 HE22 GLN 40 2HE2 GLN 40 13.146 9.276 2.931 328 H ASN 41 H ASN 41 5.891 8.002 1.047 329 HA ASN 41 HA ASN 41 7.252 6.570 -1.180 330 HB2 ASN 41 HB2 ASN 41 6.921 4.401 0.049 331 HB3 ASN 41 HB3 ASN 41 7.913 5.482 0.999 332 HD21 ASN 41 1HD2 ASN 41 7.176 6.016 3.054 333 HD22 ASN 41 2HD2 ASN 41 5.526 5.764 3.572 334 H ARG 42 H ARG 42 5.541 4.647 -1.881 335 HA ARG 42 HA ARG 42 2.740 5.360 -1.476 336 HB2 ARG 42 HB2 ARG 42 2.175 5.871 -3.771 337 HB3 ARG 42 HB3 ARG 42 3.410 6.989 -3.201 338 HG2 ARG 42 HG2 ARG 42 5.107 5.330 -4.364 339 HG3 ARG 42 HG3 ARG 42 3.662 4.722 -5.181 340 HD2 ARG 42 HD2 ARG 42 3.311 7.374 -5.610 341 HD3 ARG 42 HD3 ARG 42 5.058 7.382 -5.425 342 HE ARG 42 HE ARG 42 3.431 6.162 -7.556 343 HH11 ARG 42 1HH1 ARG 42 6.749 6.426 -6.299 344 HH12 ARG 42 2HH1 ARG 42 7.392 5.918 -7.859 345 HH21 ARG 42 1HH2 ARG 42 4.466 5.352 -9.412 346 HH22 ARG 42 2HH2 ARG 42 6.227 5.356 -9.431 347 H LEU 43 H LEU 43 1.527 3.588 -1.507 348 HA LEU 43 HA LEU 43 2.718 0.975 -1.982 349 HB2 LEU 43 HB2 LEU 43 0.013 2.014 -1.066 350 HB3 LEU 43 HB3 LEU 43 0.151 0.356 -1.599 351 HG LEU 43 HG LEU 43 0.258 0.519 0.803 352 HD11 LEU 43 1HD1 LEU 43 2.125 -0.932 1.189 353 HD12 LEU 43 2HD1 LEU 43 2.945 -0.396 -0.290 354 HD13 LEU 43 3HD1 LEU 43 1.433 -1.320 -0.393 355 HD21 LEU 43 3HD2 LEU 43 2.881 2.028 0.483 356 HD22 LEU 43 1HD2 LEU 43 2.181 1.433 1.995 357 HD23 LEU 43 2HD2 LEU 43 1.354 2.703 1.083 358 H ILE 44 H ILE 44 2.834 -0.101 -3.811 359 HA ILE 44 HA ILE 44 0.785 0.488 -5.966 360 HB ILE 44 HB ILE 44 3.514 -0.778 -6.286 361 HG12 ILE 44 2HG1 ILE 44 3.857 1.517 -5.755 362 HG13 ILE 44 3HG1 ILE 44 4.151 1.280 -7.460 363 HG21 ILE 44 1HG2 ILE 44 3.102 -0.394 -8.737 364 HG22 ILE 44 2HG2 ILE 44 2.052 -1.613 -8.021 365 HG23 ILE 44 3HG2 ILE 44 1.417 0.016 -8.354 366 HD11 ILE 44 3HD1 ILE 44 1.674 2.607 -6.285 367 HD12 ILE 44 1HD1 ILE 44 3.004 3.387 -7.150 368 HD13 ILE 44 2HD1 ILE 44 1.931 2.280 -8.015 369 H PHE 45 H PHE 45 -0.591 -1.027 -6.733 370 HA PHE 45 HA PHE 45 0.244 -3.825 -6.553 371 HB2 PHE 45 HB2 PHE 45 -0.990 -3.733 -4.532 372 HB3 PHE 45 HB3 PHE 45 -2.351 -2.970 -5.327 373 HD1 PHE 45 HD2 PHE 45 -3.942 -4.265 -6.730 374 HD2 PHE 45 HD1 PHE 45 -0.597 -6.143 -4.748 375 HE1 PHE 45 HE2 PHE 45 -4.992 -6.489 -7.045 376 HE2 PHE 45 HE1 PHE 45 -1.661 -8.364 -5.060 377 HZ PHE 45 HZ PHE 45 -3.863 -8.538 -6.197 378 H ALA 46 H ALA 46 -0.352 -5.143 -8.224 379 HA ALA 46 HA ALA 46 -0.522 -5.450 -10.465 380 HB1 ALA 46 HB1 ALA 46 -3.290 -4.306 -9.977 381 HB2 ALA 46 HB2 ALA 46 -2.805 -5.402 -11.288 382 HB3 ALA 46 HB3 ALA 46 -2.769 -5.965 -9.610 383 H GLY 47 H GLY 47 0.721 -2.886 -9.862 384 HA2 GLY 47 HA2 GLY 47 1.682 -1.207 -11.146 385 HA3 GLY 47 HA3 GLY 47 0.625 -1.627 -12.493 386 H LYS 48 H LYS 48 -1.545 -1.162 -10.015 387 HA LYS 48 HA LYS 48 -1.930 1.728 -10.632 388 HB2 LYS 48 HB2 LYS 48 -3.737 -0.445 -9.552 389 HB3 LYS 48 HB3 LYS 48 -4.053 1.236 -9.152 390 HG2 LYS 48 HG2 LYS 48 -4.057 1.785 -11.624 391 HG3 LYS 48 HG3 LYS 48 -4.028 0.036 -11.936 392 HD2 LYS 48 HD2 LYS 48 -6.096 -0.191 -10.518 393 HD3 LYS 48 HD3 LYS 48 -6.139 1.563 -10.319 394 HE2 LYS 48 HE2 LYS 48 -6.367 0.094 -12.985 395 HE3 LYS 48 HE3 LYS 48 -7.730 0.669 -12.028 396 HZ1 LYS 48 HZ1 LYS 48 -6.938 2.944 -12.322 397 HZ2 LYS 48 HZ2 LYS 48 -7.155 2.193 -13.785 398 HZ3 LYS 48 HZ3 LYS 48 -5.656 2.424 -13.194 399 H GLN 49 H GLN 49 -2.234 3.261 -9.067 400 HA GLN 49 HA GLN 49 -1.061 2.904 -6.381 401 HB2 GLN 49 HB2 GLN 49 -2.711 5.203 -7.558 402 HB3 GLN 49 HB3 GLN 49 -1.889 5.187 -6.002 403 HG2 GLN 49 HG2 GLN 49 0.178 4.606 -7.798 404 HG3 GLN 49 HG3 GLN 49 -0.826 5.746 -8.698 405 HE21 GLN 49 1HE2 GLN 49 -1.655 7.648 -6.854 406 HE22 GLN 49 2HE2 GLN 49 -0.296 8.292 -5.988 407 H LEU 50 H LEU 50 -2.410 3.169 -4.465 408 HA LEU 50 HA LEU 50 -5.194 2.122 -4.761 409 HB2 LEU 50 HB2 LEU 50 -3.259 1.845 -2.445 410 HB3 LEU 50 HB3 LEU 50 -4.878 1.159 -2.552 411 HG LEU 50 HG LEU 50 -2.495 0.387 -4.294 412 HD11 LEU 50 1HD1 LEU 50 -2.715 -1.767 -3.129 413 HD12 LEU 50 2HD1 LEU 50 -4.021 -1.106 -2.122 414 HD13 LEU 50 3HD1 LEU 50 -2.368 -0.449 -1.990 415 HD21 LEU 50 3HD2 LEU 50 -4.026 -1.458 -5.075 416 HD22 LEU 50 1HD2 LEU 50 -4.509 0.141 -5.625 417 HD23 LEU 50 2HD2 LEU 50 -5.372 -0.626 -4.270 418 H GLU 51 H GLU 51 -6.710 3.651 -4.529 419 HA GLU 51 HA GLU 51 -6.253 5.926 -2.672 420 HB2 GLU 51 HB2 GLU 51 -6.653 5.883 -5.459 421 HB3 GLU 51 HB3 GLU 51 -8.236 6.352 -4.777 422 HG2 GLU 51 HG2 GLU 51 -7.029 8.079 -3.406 423 HG3 GLU 51 HG3 GLU 51 -5.509 7.600 -4.157 424 H ASP 52 H ASP 52 -8.237 7.053 -1.959 425 HA ASP 52 HA ASP 52 -9.882 5.319 -0.393 426 HB2 ASP 52 HB2 ASP 52 -9.119 7.410 0.474 427 HB3 ASP 52 HB3 ASP 52 -9.846 8.300 -0.860 428 H GLY 53 H GLY 53 -12.322 5.756 -0.219 429 HA2 GLY 53 HA2 GLY 53 -14.448 5.687 -1.130 430 HA3 GLY 53 HA3 GLY 53 -13.780 6.027 -2.733 431 H ARG 54 H ARG 54 -11.968 3.494 -1.823 432 HA ARG 54 HA ARG 54 -13.854 1.365 -2.758 433 HB2 ARG 54 HB2 ARG 54 -10.892 1.713 -3.345 434 HB3 ARG 54 HB3 ARG 54 -11.917 0.381 -3.888 435 HG2 ARG 54 HG2 ARG 54 -13.429 2.164 -4.971 436 HG3 ARG 54 HG3 ARG 54 -12.121 3.316 -4.661 437 HD2 ARG 54 HD2 ARG 54 -10.577 1.932 -5.960 438 HD3 ARG 54 HD3 ARG 54 -11.841 0.742 -6.248 439 HE ARG 54 HE ARG 54 -11.903 3.580 -7.217 440 HH11 ARG 54 1HH1 ARG 54 -12.907 0.206 -7.846 441 HH12 ARG 54 2HH1 ARG 54 -13.440 0.667 -9.438 442 HH21 ARG 54 1HH2 ARG 54 -12.749 4.019 -9.102 443 HH22 ARG 54 2HH2 ARG 54 -13.256 2.734 -10.193 444 H THR 55 H THR 55 -13.200 -0.824 -2.248 445 HA THR 55 HA THR 55 -11.840 -1.156 0.372 446 HB THR 55 HB THR 55 -12.971 -3.040 0.913 447 HG1 THR 55 HG1 THR 55 -14.317 -4.107 -0.625 448 HG21 THR 55 1HG2 THR 55 -14.533 -1.078 0.950 449 HG22 THR 55 2HG2 THR 55 -15.338 -2.641 0.762 450 HG23 THR 55 3HG2 THR 55 -15.141 -1.578 -0.648 451 H LEU 56 H LEU 56 -10.653 -3.250 0.667 452 HA LEU 56 HA LEU 56 -8.487 -3.557 -1.142 453 HB2 LEU 56 HB2 LEU 56 -9.823 -5.434 0.834 454 HB3 LEU 56 HB3 LEU 56 -8.334 -5.874 0.011 455 HG LEU 56 HG LEU 56 -8.572 -3.414 1.807 456 HD11 LEU 56 1HD1 LEU 56 -7.444 -6.193 2.378 457 HD12 LEU 56 2HD1 LEU 56 -8.887 -5.452 3.119 458 HD13 LEU 56 3HD1 LEU 56 -7.294 -4.777 3.441 459 HD21 LEU 56 3HD2 LEU 56 -6.749 -3.208 0.188 460 HD22 LEU 56 1HD2 LEU 56 -6.199 -4.862 0.544 461 HD23 LEU 56 2HD2 LEU 56 -6.057 -3.586 1.758 462 H SER 57 H SER 57 -11.355 -5.721 -0.857 463 HA SER 57 HA SER 57 -10.618 -7.314 -3.087 464 HB2 SER 57 HB2 SER 57 -12.348 -7.747 -1.185 465 HB3 SER 57 HB3 SER 57 -13.508 -6.953 -2.268 466 HG SER 57 HG SER 57 -11.942 -9.279 -2.704 467 H ASP 58 H ASP 58 -12.211 -4.189 -3.122 468 HA ASP 58 HA ASP 58 -13.266 -4.365 -5.832 469 HB2 ASP 58 HB2 ASP 58 -14.285 -2.832 -4.393 470 HB3 ASP 58 HB3 ASP 58 -12.764 -2.098 -3.941 471 H TYR 59 H TYR 59 -10.155 -3.341 -4.526 472 HA TYR 59 HA TYR 59 -8.976 -3.048 -7.162 473 HB2 TYR 59 HB2 TYR 59 -7.942 -2.798 -4.388 474 HB3 TYR 59 HB3 TYR 59 -6.804 -3.099 -5.674 475 HD1 TYR 59 HD2 TYR 59 -6.461 -1.563 -7.524 476 HD2 TYR 59 HD1 TYR 59 -8.998 -0.574 -4.185 477 HE1 TYR 59 HE2 TYR 59 -6.085 0.864 -7.954 478 HE2 TYR 59 HE1 TYR 59 -8.589 1.865 -4.605 479 HH TYR 59 HH TYR 59 -6.114 2.908 -6.867 480 H ASN 60 H ASN 60 -10.225 -5.705 -6.220 481 HA ASN 60 HA ASN 60 -9.949 -7.893 -6.389 482 HB2 ASN 60 HB2 ASN 60 -8.003 -7.037 -8.527 483 HB3 ASN 60 HB3 ASN 60 -8.064 -8.722 -8.068 484 HD21 ASN 60 1HD2 ASN 60 -9.709 -6.263 -9.868 485 HD22 ASN 60 2HD2 ASN 60 -10.925 -7.367 -10.492 486 H ILE 61 H ILE 61 -8.184 -6.323 -4.360 487 HA ILE 61 HA ILE 61 -5.846 -7.959 -4.002 488 HB ILE 61 HB ILE 61 -7.137 -6.112 -1.988 489 HG12 ILE 61 2HG1 ILE 61 -5.044 -5.479 -4.110 490 HG13 ILE 61 3HG1 ILE 61 -6.709 -4.929 -4.126 491 HG21 ILE 61 1HG2 ILE 61 -5.408 -7.686 -1.072 492 HG22 ILE 61 2HG2 ILE 61 -4.252 -7.051 -2.269 493 HG23 ILE 61 3HG2 ILE 61 -4.887 -6.008 -0.987 494 HD11 ILE 61 3HD1 ILE 61 -5.306 -3.123 -3.423 495 HD12 ILE 61 1HD1 ILE 61 -6.334 -3.619 -2.071 496 HD13 ILE 61 2HD1 ILE 61 -4.609 -4.076 -2.110 497 H GLN 62 H GLN 62 -5.715 -9.893 -3.246 498 HA GLN 62 HA GLN 62 -7.969 -11.171 -1.778 499 HB2 GLN 62 HB2 GLN 62 -7.147 -13.244 -2.662 500 HB3 GLN 62 HB3 GLN 62 -7.417 -12.127 -3.969 501 HG2 GLN 62 HG2 GLN 62 -4.624 -12.468 -2.790 502 HG3 GLN 62 HG3 GLN 62 -5.282 -13.682 -3.857 503 HE21 GLN 62 1HE2 GLN 62 -6.584 -11.029 -5.409 504 HE22 GLN 62 2HE2 GLN 62 -5.201 -10.791 -6.441 505 H LYS 63 H LYS 63 -7.234 -13.097 -0.366 506 HA LYS 63 HA LYS 63 -5.417 -12.428 1.777 507 HB2 LYS 63 HB2 LYS 63 -5.654 -14.748 2.437 508 HB3 LYS 63 HB3 LYS 63 -7.219 -14.072 2.050 509 HG2 LYS 63 HG2 LYS 63 -5.900 -15.501 -0.228 510 HG3 LYS 63 HG3 LYS 63 -6.265 -16.503 1.162 511 HD2 LYS 63 HD2 LYS 63 -8.615 -16.025 1.008 512 HD3 LYS 63 HD3 LYS 63 -8.366 -14.750 -0.205 513 HE2 LYS 63 HE2 LYS 63 -7.527 -16.410 -1.793 514 HE3 LYS 63 HE3 LYS 63 -7.617 -17.706 -0.607 515 HZ1 LYS 63 HZ1 LYS 63 -10.043 -16.184 -1.503 516 HZ2 LYS 63 HZ2 LYS 63 -9.934 -17.643 -0.712 517 HZ3 LYS 63 HZ3 LYS 63 -9.499 -17.575 -2.238 518 H GLU 64 H GLU 64 -3.279 -12.950 2.142 519 HA GLU 64 HA GLU 64 -1.114 -13.165 1.672 520 HB2 GLU 64 HB2 GLU 64 -1.927 -15.388 -0.229 521 HB3 GLU 64 HB3 GLU 64 -0.269 -14.971 0.192 522 HG2 GLU 64 HG2 GLU 64 -0.900 -15.312 2.641 523 HG3 GLU 64 HG3 GLU 64 -2.384 -16.061 2.052 524 H SER 65 H SER 65 -2.874 -11.340 -0.197 525 HA SER 65 HA SER 65 -1.569 -11.026 -2.641 526 HB2 SER 65 HB2 SER 65 -2.790 -8.894 -0.857 527 HB3 SER 65 HB3 SER 65 -2.132 -8.554 -2.471 528 HG SER 65 HG SER 65 -4.269 -10.188 -1.728 529 H THR 66 H THR 66 0.246 -10.275 -3.407 530 HA THR 66 HA THR 66 2.226 -9.142 -1.578 531 HB THR 66 HB THR 66 3.061 -9.916 -4.317 532 HG1 THR 66 HG1 THR 66 2.384 -11.766 -2.298 533 HG21 THR 66 1HG2 THR 66 5.012 -10.752 -3.089 534 HG22 THR 66 2HG2 THR 66 4.240 -10.351 -1.541 535 HG23 THR 66 3HG2 THR 66 4.695 -9.058 -2.675 536 H LEU 67 H LEU 67 1.394 -7.076 -1.305 537 HA LEU 67 HA LEU 67 1.238 -5.213 -3.532 538 HB2 LEU 67 HB2 LEU 67 1.462 -4.672 -0.537 539 HB3 LEU 67 HB3 LEU 67 1.176 -3.489 -1.800 540 HG LEU 67 HG LEU 67 -0.859 -5.179 -2.394 541 HD11 LEU 67 1HD1 LEU 67 -0.562 -5.414 0.630 542 HD12 LEU 67 2HD1 LEU 67 -0.456 -6.744 -0.532 543 HD13 LEU 67 3HD1 LEU 67 -1.990 -5.894 -0.323 544 HD21 LEU 67 3HD2 LEU 67 -0.932 -3.082 -0.176 545 HD22 LEU 67 1HD2 LEU 67 -2.316 -3.637 -1.147 546 HD23 LEU 67 2HD2 LEU 67 -0.995 -2.745 -1.919 547 H HIS 68 H HIS 68 2.726 -3.732 -4.220 548 HA HIS 68 HA HIS 68 5.577 -4.014 -3.339 549 HB2 HIS 68 HB2 HIS 68 4.418 -2.911 -5.911 550 HB3 HIS 68 HB3 HIS 68 6.095 -2.912 -5.470 551 HD1 HIS 68 HD1 HIS 68 3.805 -6.099 -5.341 552 HD2 HIS 68 HD2 HIS 68 7.278 -4.507 -7.115 553 HE1 HIS 68 HE1 HIS 68 4.832 -7.962 -6.725 554 H LEU 69 H LEU 69 6.760 -2.309 -3.191 555 HA LEU 69 HA LEU 69 5.174 0.130 -2.646 556 HB2 LEU 69 HB2 LEU 69 6.237 -0.930 -0.672 557 HB3 LEU 69 HB3 LEU 69 7.782 -0.699 -1.472 558 HG LEU 69 HG LEU 69 7.559 1.754 -1.276 559 HD11 LEU 69 1HD1 LEU 69 5.734 2.584 0.253 560 HD12 LEU 69 2HD1 LEU 69 5.035 0.966 0.262 561 HD13 LEU 69 3HD1 LEU 69 5.090 1.904 -1.237 562 HD21 LEU 69 3HD2 LEU 69 7.847 1.845 1.162 563 HD22 LEU 69 1HD2 LEU 69 8.751 0.516 0.432 564 HD23 LEU 69 2HD2 LEU 69 7.233 0.184 1.305 565 H VAL 70 H VAL 70 5.895 2.082 -3.291 566 HA VAL 70 HA VAL 70 8.710 2.105 -4.087 567 HB VAL 70 HB VAL 70 6.940 4.150 -5.321 568 HG11 VAL 70 1HG1 VAL 70 9.181 4.979 -5.576 569 HG12 VAL 70 2HG1 VAL 70 9.819 3.313 -5.744 570 HG13 VAL 70 3HG1 VAL 70 8.921 4.098 -7.034 571 HG21 VAL 70 3HG2 VAL 70 6.155 2.054 -6.232 572 HG22 VAL 70 1HG2 VAL 70 7.049 2.956 -7.450 573 HG23 VAL 70 2HG2 VAL 70 7.824 1.592 -6.620 574 H LEU 71 H LEU 71 9.833 4.038 -3.795 575 HA LEU 71 HA LEU 71 9.183 5.951 -1.843 576 HB2 LEU 71 HB2 LEU 71 10.926 5.819 -4.235 577 HB3 LEU 71 HB3 LEU 71 10.683 7.386 -3.522 578 HG LEU 71 HG LEU 71 11.488 5.148 -1.656 579 HD11 LEU 71 1HD1 LEU 71 13.860 5.549 -2.168 580 HD12 LEU 71 2HD1 LEU 71 13.419 6.606 -3.523 581 HD13 LEU 71 3HD1 LEU 71 13.025 4.876 -3.573 582 HD21 LEU 71 3HD2 LEU 71 11.044 7.448 -0.801 583 HD22 LEU 71 1HD2 LEU 71 12.261 8.108 -1.903 584 HD23 LEU 71 2HD2 LEU 71 12.736 7.004 -0.594 585 H ARG 72 H ARG 72 8.854 8.106 -2.114 586 HA ARG 72 HA ARG 72 7.292 9.056 -4.459 587 HB2 ARG 72 HB2 ARG 72 8.219 10.390 -1.893 588 HB3 ARG 72 HB3 ARG 72 7.614 11.296 -3.274 589 HG2 ARG 72 HG2 ARG 72 5.469 10.052 -3.185 590 HG3 ARG 72 HG3 ARG 72 6.042 9.183 -1.747 591 HD2 ARG 72 HD2 ARG 72 6.348 11.372 -0.583 592 HD3 ARG 72 HD3 ARG 72 5.722 12.217 -1.997 593 HE ARG 72 HE ARG 72 4.209 10.554 -0.050 594 HH11 ARG 72 1HH1 ARG 72 3.894 12.412 -3.015 595 HH12 ARG 72 2HH1 ARG 72 2.165 12.565 -2.796 596 HH21 ARG 72 1HH2 ARG 72 2.191 10.919 0.235 597 HH22 ARG 72 2HH2 ARG 72 1.244 11.941 -0.844 598 H LEU 73 H LEU 73 8.091 10.449 -5.986 599 HA LEU 73 HA LEU 73 10.838 11.478 -5.807 600 HB2 LEU 73 HB2 LEU 73 11.146 9.218 -6.764 601 HB3 LEU 73 HB3 LEU 73 9.930 9.553 -7.990 602 HG LEU 73 HG LEU 73 11.442 11.329 -8.943 603 HD11 LEU 73 1HD1 LEU 73 13.478 10.150 -7.002 604 HD12 LEU 73 2HD1 LEU 73 12.837 11.800 -6.929 605 HD13 LEU 73 3HD1 LEU 73 13.826 11.305 -8.301 606 HD21 LEU 73 3HD2 LEU 73 12.624 8.539 -8.741 607 HD22 LEU 73 1HD2 LEU 73 13.001 9.749 -9.981 608 HD23 LEU 73 2HD2 LEU 73 11.373 9.066 -9.889 609 H ARG 74 H ARG 74 11.173 13.298 -7.174 610 HA ARG 74 HA ARG 74 9.095 14.080 -9.124 611 HB2 ARG 74 HB2 ARG 74 10.036 15.791 -6.795 612 HB3 ARG 74 HB3 ARG 74 9.369 16.503 -8.256 613 HG2 ARG 74 HG2 ARG 74 7.844 14.590 -6.428 614 HG3 ARG 74 HG3 ARG 74 7.757 16.349 -6.403 615 HD2 ARG 74 HD2 ARG 74 7.096 16.187 -8.902 616 HD3 ARG 74 HD3 ARG 74 6.798 14.477 -8.583 617 HE ARG 74 HE ARG 74 5.159 15.178 -6.842 618 HH11 ARG 74 1HH1 ARG 74 5.775 17.512 -9.441 619 HH12 ARG 74 2HH1 ARG 74 4.269 18.337 -9.097 620 HH21 ARG 74 1HH2 ARG 74 3.272 16.438 -6.504 621 HH22 ARG 74 2HH2 ARG 74 2.968 17.749 -7.602 622 H GLY 75 H GLY 75 10.007 14.717 -11.004 623 HA2 GLY 75 HA2 GLY 75 12.049 16.526 -11.423 624 HA3 GLY 75 HA3 GLY 75 12.864 14.972 -11.325 625 H GLY 76 H GLY 76 12.758 16.667 -13.648 626 HA2 GLY 76 HA2 GLY 76 12.602 15.120 -15.831 627 HA3 GLY 76 HA3 GLY 76 10.885 15.469 -15.594 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -8.066 -9.923 6.112 2 H2 MET 1 H2 MET 1 -7.460 -11.422 6.410 3 H3 MET 1 H3 MET 1 -8.910 -11.271 5.676 4 HA MET 1 HA MET 1 -7.197 -11.831 4.010 5 HB2 MET 1 HB2 MET 1 -9.043 -10.649 3.148 6 HB3 MET 1 HB3 MET 1 -8.563 -9.123 3.878 7 HG2 MET 1 HG2 MET 1 -6.763 -8.817 2.357 8 HG3 MET 1 HG3 MET 1 -6.893 -10.473 1.739 9 HE1 MET 1 HE1 MET 1 -6.626 -8.836 -0.548 10 HE2 MET 1 HE2 MET 1 -7.967 -7.827 -1.148 11 HE3 MET 1 HE3 MET 1 -7.022 -7.308 0.272 12 H GLN 2 H GLN 2 -5.030 -12.023 4.207 13 HA GLN 2 HA GLN 2 -3.395 -9.790 5.186 14 HB2 GLN 2 HB2 GLN 2 -3.135 -12.231 5.677 15 HB3 GLN 2 HB3 GLN 2 -2.618 -12.505 4.037 16 HG2 GLN 2 HG2 GLN 2 -0.569 -11.423 4.328 17 HG3 GLN 2 HG3 GLN 2 -1.174 -10.406 5.653 18 HE21 GLN 2 1HE2 GLN 2 1.166 -12.576 5.402 19 HE22 GLN 2 2HE2 GLN 2 0.860 -13.512 6.872 20 H ILE 3 H ILE 3 -2.063 -8.503 3.932 21 HA ILE 3 HA ILE 3 -1.721 -9.048 1.034 22 HB ILE 3 HB ILE 3 -2.136 -6.753 0.397 23 HG12 ILE 3 2HG1 ILE 3 -3.167 -6.215 3.214 24 HG13 ILE 3 3HG1 ILE 3 -1.619 -5.650 2.577 25 HG21 ILE 3 1HG2 ILE 3 -4.536 -6.777 0.368 26 HG22 ILE 3 2HG2 ILE 3 -3.977 -8.450 0.302 27 HG23 ILE 3 3HG2 ILE 3 -4.604 -7.787 1.827 28 HD11 ILE 3 3HD1 ILE 3 -2.806 -4.361 0.812 29 HD12 ILE 3 1HD1 ILE 3 -4.357 -4.816 1.555 30 HD13 ILE 3 2HD1 ILE 3 -3.190 -3.846 2.464 31 H PHE 4 H PHE 4 0.073 -7.900 0.087 32 HA PHE 4 HA PHE 4 2.201 -7.266 2.060 33 HB2 PHE 4 HB2 PHE 4 2.379 -8.833 -0.531 34 HB3 PHE 4 HB3 PHE 4 3.742 -8.401 0.490 35 HD1 PHE 4 HD1 PHE 4 3.652 -9.249 3.002 36 HD2 PHE 4 HD2 PHE 4 1.294 -10.897 -0.208 37 HE1 PHE 4 HE1 PHE 4 3.393 -11.358 4.267 38 HE2 PHE 4 HE2 PHE 4 1.036 -13.005 1.073 39 HZ PHE 4 HZ PHE 4 2.084 -13.252 3.307 40 H VAL 5 H VAL 5 3.810 -5.734 1.501 41 HA VAL 5 HA VAL 5 3.461 -4.308 -1.096 42 HB VAL 5 HB VAL 5 4.340 -2.806 1.348 43 HG11 VAL 5 1HG1 VAL 5 3.773 -0.851 -0.007 44 HG12 VAL 5 2HG1 VAL 5 5.004 -1.826 -0.787 45 HG13 VAL 5 3HG1 VAL 5 3.324 -1.911 -1.368 46 HG21 VAL 5 3HG2 VAL 5 1.514 -2.938 0.236 47 HG22 VAL 5 1HG2 VAL 5 2.043 -3.507 1.835 48 HG23 VAL 5 2HG2 VAL 5 2.102 -1.787 1.462 49 H LYS 6 H LYS 6 5.215 -3.876 -2.300 50 HA LYS 6 HA LYS 6 7.810 -5.008 -1.376 51 HB2 LYS 6 HB2 LYS 6 7.074 -5.987 -3.439 52 HB3 LYS 6 HB3 LYS 6 6.471 -4.466 -4.031 53 HG2 LYS 6 HG2 LYS 6 8.239 -4.742 -5.379 54 HG3 LYS 6 HG3 LYS 6 8.893 -3.628 -4.198 55 HD2 LYS 6 HD2 LYS 6 9.309 -6.653 -4.546 56 HD3 LYS 6 HD3 LYS 6 10.515 -5.392 -4.715 57 HE2 LYS 6 HE2 LYS 6 10.627 -5.040 -2.333 58 HE3 LYS 6 HE3 LYS 6 9.247 -6.113 -2.054 59 HZ1 LYS 6 HZ1 LYS 6 11.817 -6.991 -3.234 60 HZ2 LYS 6 HZ2 LYS 6 10.546 -7.977 -2.823 61 HZ3 LYS 6 HZ3 LYS 6 11.398 -7.199 -1.670 62 H THR 7 H THR 7 9.076 -3.525 -0.389 63 HA THR 7 HA THR 7 9.024 -0.724 -1.335 64 HB THR 7 HB THR 7 10.370 -0.148 0.526 65 HG1 THR 7 HG1 THR 7 10.642 -2.897 1.107 66 HG21 THR 7 1HG2 THR 7 9.171 -0.903 2.470 67 HG22 THR 7 2HG2 THR 7 8.528 -2.322 1.620 68 HG23 THR 7 3HG2 THR 7 8.004 -0.688 1.158 69 H LEU 8 H LEU 8 11.014 0.423 -1.775 70 HA LEU 8 HA LEU 8 12.452 -0.749 -3.928 71 HB2 LEU 8 HB2 LEU 8 12.981 1.792 -2.300 72 HB3 LEU 8 HB3 LEU 8 13.866 1.315 -3.753 73 HG LEU 8 HG LEU 8 11.632 1.330 -4.997 74 HD11 LEU 8 1HD1 LEU 8 10.772 2.829 -2.494 75 HD12 LEU 8 2HD1 LEU 8 9.975 1.402 -3.228 76 HD13 LEU 8 3HD1 LEU 8 9.950 2.953 -4.053 77 HD21 LEU 8 3HD2 LEU 8 13.364 3.052 -5.245 78 HD22 LEU 8 1HD2 LEU 8 12.707 3.917 -3.836 79 HD23 LEU 8 2HD2 LEU 8 11.744 3.766 -5.327 80 H THR 9 H THR 9 13.414 -0.323 -0.501 81 HA THR 9 HA THR 9 16.077 -1.502 -0.981 82 HB THR 9 HB THR 9 16.408 -1.193 1.440 83 HG1 THR 9 HG1 THR 9 14.543 0.469 2.023 84 HG21 THR 9 1HG2 THR 9 16.477 1.236 1.477 85 HG22 THR 9 2HG2 THR 9 15.350 1.320 0.105 86 HG23 THR 9 3HG2 THR 9 16.974 0.644 -0.119 87 H GLY 10 H GLY 10 13.865 -3.075 -1.748 88 HA2 GLY 10 HA2 GLY 10 13.512 -5.305 -1.931 89 HA3 GLY 10 HA3 GLY 10 14.793 -5.570 -0.751 90 H LYS 11 H LYS 11 13.124 -3.947 1.291 91 HA LYS 11 HA LYS 11 12.157 -6.216 2.653 92 HB2 LYS 11 HB2 LYS 11 11.036 -3.489 3.305 93 HB3 LYS 11 HB3 LYS 11 11.472 -4.801 4.387 94 HG2 LYS 11 HG2 LYS 11 13.918 -4.298 3.874 95 HG3 LYS 11 HG3 LYS 11 13.345 -2.911 2.915 96 HD2 LYS 11 HD2 LYS 11 12.022 -2.320 5.156 97 HD3 LYS 11 HD3 LYS 11 13.280 -3.299 5.909 98 HE2 LYS 11 HE2 LYS 11 13.686 -0.880 4.087 99 HE3 LYS 11 HE3 LYS 11 13.783 -0.838 5.853 100 HZ1 LYS 11 HZ1 LYS 11 15.573 -2.461 4.130 101 HZ2 LYS 11 HZ2 LYS 11 15.706 -2.257 5.774 102 HZ3 LYS 11 HZ3 LYS 11 15.962 -0.999 4.784 103 H THR 12 H THR 12 10.264 -7.244 2.828 104 HA THR 12 HA THR 12 7.886 -6.269 1.416 105 HB THR 12 HB THR 12 7.927 -8.870 2.869 106 HG1 THR 12 HG1 THR 12 8.878 -9.835 1.295 107 HG21 THR 12 1HG2 THR 12 6.373 -9.510 1.069 108 HG22 THR 12 2HG2 THR 12 6.544 -7.901 0.332 109 HG23 THR 12 3HG2 THR 12 5.783 -8.081 1.932 110 H ILE 13 H ILE 13 6.409 -5.066 2.379 111 HA ILE 13 HA ILE 13 6.091 -5.090 5.334 112 HB ILE 13 HB ILE 13 4.325 -3.646 3.361 113 HG12 ILE 13 2HG1 ILE 13 6.534 -2.877 2.765 114 HG13 ILE 13 3HG1 ILE 13 5.655 -1.623 3.597 115 HG21 ILE 13 1HG2 ILE 13 3.989 -2.072 5.272 116 HG22 ILE 13 2HG2 ILE 13 3.399 -3.706 5.580 117 HG23 ILE 13 3HG2 ILE 13 4.932 -3.169 6.297 118 HD11 ILE 13 3HD1 ILE 13 7.991 -1.684 4.360 119 HD12 ILE 13 1HD1 ILE 13 6.929 -2.119 5.704 120 HD13 ILE 13 2HD1 ILE 13 7.833 -3.379 4.835 121 H THR 14 H THR 14 4.287 -5.981 6.358 122 HA THR 14 HA THR 14 2.292 -7.442 4.694 123 HB THR 14 HB THR 14 3.247 -8.393 7.398 124 HG1 THR 14 HG1 THR 14 4.887 -8.654 5.932 125 HG21 THR 14 1HG2 THR 14 1.498 -9.663 5.247 126 HG22 THR 14 2HG2 THR 14 1.000 -9.184 6.890 127 HG23 THR 14 3HG2 THR 14 2.147 -10.509 6.674 128 H LEU 15 H LEU 15 0.157 -7.067 5.147 129 HA LEU 15 HA LEU 15 -0.482 -5.626 7.676 130 HB2 LEU 15 HB2 LEU 15 -1.399 -4.877 4.888 131 HB3 LEU 15 HB3 LEU 15 -2.168 -4.272 6.361 132 HG LEU 15 HG LEU 15 0.767 -3.816 5.728 133 HD11 LEU 15 1HD1 LEU 15 0.101 -1.545 5.079 134 HD12 LEU 15 2HD1 LEU 15 -1.608 -1.965 5.318 135 HD13 LEU 15 3HD1 LEU 15 -0.667 -2.750 4.029 136 HD21 LEU 15 3HD2 LEU 15 0.226 -3.596 8.132 137 HD22 LEU 15 1HD2 LEU 15 -1.106 -2.488 7.732 138 HD23 LEU 15 2HD2 LEU 15 0.579 -2.024 7.417 139 H GLU 16 H GLU 16 -2.241 -6.044 8.666 140 HA GLU 16 HA GLU 16 -3.889 -8.400 7.929 141 HB2 GLU 16 HB2 GLU 16 -2.655 -8.322 10.066 142 HB3 GLU 16 HB3 GLU 16 -3.509 -6.850 10.533 143 HG2 GLU 16 HG2 GLU 16 -5.638 -8.080 10.603 144 HG3 GLU 16 HG3 GLU 16 -4.844 -9.529 9.979 145 H VAL 17 H VAL 17 -5.477 -7.688 6.533 146 HA VAL 17 HA VAL 17 -7.183 -5.399 7.396 147 HB VAL 17 HB VAL 17 -7.203 -4.325 5.338 148 HG11 VAL 17 1HG1 VAL 17 -5.126 -3.932 6.673 149 HG12 VAL 17 2HG1 VAL 17 -4.265 -5.129 5.680 150 HG13 VAL 17 3HG1 VAL 17 -4.922 -3.647 4.955 151 HG21 VAL 17 3HG2 VAL 17 -5.559 -6.587 4.093 152 HG22 VAL 17 1HG2 VAL 17 -7.270 -6.230 3.780 153 HG23 VAL 17 2HG2 VAL 17 -6.051 -5.069 3.313 154 H GLU 18 H GLU 18 -9.194 -5.155 6.025 155 HA GLU 18 HA GLU 18 -10.423 -7.846 5.543 156 HB2 GLU 18 HB2 GLU 18 -11.580 -5.290 6.662 157 HB3 GLU 18 HB3 GLU 18 -12.603 -6.591 6.050 158 HG2 GLU 18 HG2 GLU 18 -12.051 -8.066 7.741 159 HG3 GLU 18 HG3 GLU 18 -10.451 -7.402 7.988 160 HA PRO 19 HA PRO 19 -10.818 -6.523 1.291 161 HB2 PRO 19 HB2 PRO 19 -13.126 -7.768 0.449 162 HB3 PRO 19 HB3 PRO 19 -11.590 -8.627 0.738 163 HG2 PRO 19 HG2 PRO 19 -13.929 -8.337 2.643 164 HG3 PRO 19 HG3 PRO 19 -13.057 -9.839 2.190 165 HD2 PRO 19 HD2 PRO 19 -12.466 -8.506 4.474 166 HD3 PRO 19 HD3 PRO 19 -11.162 -9.219 3.478 167 H SER 20 H SER 20 -13.272 -5.911 3.617 168 HA SER 20 HA SER 20 -14.787 -3.925 2.108 169 HB2 SER 20 HB2 SER 20 -15.849 -5.339 3.834 170 HB3 SER 20 HB3 SER 20 -14.698 -4.780 5.045 171 HG SER 20 HG SER 20 -15.679 -2.595 4.330 172 H ASP 21 H ASP 21 -11.662 -3.734 3.501 173 HA ASP 21 HA ASP 21 -11.839 -1.071 4.527 174 HB2 ASP 21 HB2 ASP 21 -9.519 -2.810 3.759 175 HB3 ASP 21 HB3 ASP 21 -9.309 -1.099 4.014 176 H THR 22 H THR 22 -11.788 0.877 3.633 177 HA THR 22 HA THR 22 -11.743 1.215 0.817 178 HB THR 22 HB THR 22 -12.135 3.405 0.974 179 HG1 THR 22 HG1 THR 22 -11.397 3.851 3.565 180 HG21 THR 22 1HG2 THR 22 -13.975 2.238 2.170 181 HG22 THR 22 2HG2 THR 22 -13.697 3.891 2.759 182 HG23 THR 22 3HG2 THR 22 -13.134 2.506 3.718 183 H ILE 23 H ILE 23 -10.250 2.465 -0.527 184 HA ILE 23 HA ILE 23 -7.502 1.688 0.038 185 HB ILE 23 HB ILE 23 -8.416 3.713 -2.036 186 HG12 ILE 23 2HG1 ILE 23 -9.716 1.692 -2.473 187 HG13 ILE 23 3HG1 ILE 23 -8.468 1.900 -3.673 188 HG21 ILE 23 1HG2 ILE 23 -5.940 1.888 -1.766 189 HG22 ILE 23 2HG2 ILE 23 -6.403 2.776 -3.263 190 HG23 ILE 23 3HG2 ILE 23 -6.003 3.647 -1.823 191 HD11 ILE 23 3HD1 ILE 23 -8.399 -0.113 -1.386 192 HD12 ILE 23 1HD1 ILE 23 -8.666 -0.446 -3.114 193 HD13 ILE 23 2HD1 ILE 23 -7.087 0.123 -2.568 194 H GLU 24 H GLU 24 -9.341 4.243 1.330 195 HA GLU 24 HA GLU 24 -6.798 5.778 2.113 196 HB2 GLU 24 HB2 GLU 24 -8.830 7.110 1.789 197 HB3 GLU 24 HB3 GLU 24 -9.724 6.423 3.033 198 HG2 GLU 24 HG2 GLU 24 -8.297 7.192 4.659 199 HG3 GLU 24 HG3 GLU 24 -6.896 7.423 3.594 200 H ASN 25 H ASN 25 -9.338 3.511 3.668 201 HA ASN 25 HA ASN 25 -8.341 3.469 6.254 202 HB2 ASN 25 HB2 ASN 25 -9.530 1.248 4.550 203 HB3 ASN 25 HB3 ASN 25 -9.172 1.115 6.268 204 HD21 ASN 25 1HD2 ASN 25 -11.222 0.722 6.878 205 HD22 ASN 25 2HD2 ASN 25 -12.445 2.025 6.887 206 H VAL 26 H VAL 26 -7.251 1.469 3.521 207 HA VAL 26 HA VAL 26 -5.116 0.139 4.997 208 HB VAL 26 HB VAL 26 -5.355 0.574 1.979 209 HG11 VAL 26 1HG1 VAL 26 -3.114 -0.243 2.660 210 HG12 VAL 26 2HG1 VAL 26 -3.867 -1.541 3.609 211 HG13 VAL 26 3HG1 VAL 26 -4.026 -1.523 1.846 212 HG21 VAL 26 3HG2 VAL 26 -7.401 -0.532 2.768 213 HG22 VAL 26 1HG2 VAL 26 -6.370 -1.722 1.981 214 HG23 VAL 26 2HG2 VAL 26 -6.450 -1.672 3.744 215 H LYS 27 H LYS 27 -5.204 3.154 3.014 216 HA LYS 27 HA LYS 27 -2.337 3.670 3.151 217 HB2 LYS 27 HB2 LYS 27 -4.750 5.088 2.159 218 HB3 LYS 27 HB3 LYS 27 -3.727 6.148 3.051 219 HG2 LYS 27 HG2 LYS 27 -2.833 6.462 0.985 220 HG3 LYS 27 HG3 LYS 27 -1.782 5.210 1.609 221 HD2 LYS 27 HD2 LYS 27 -2.199 4.078 -0.276 222 HD3 LYS 27 HD3 LYS 27 -3.785 3.700 0.380 223 HE2 LYS 27 HE2 LYS 27 -3.040 6.038 -1.480 224 HE3 LYS 27 HE3 LYS 27 -3.885 4.575 -1.929 225 HZ1 LYS 27 HZ1 LYS 27 -5.526 6.160 -1.695 226 HZ2 LYS 27 HZ2 LYS 27 -4.953 6.770 -0.286 227 HZ3 LYS 27 HZ3 LYS 27 -5.660 5.259 -0.340 228 H ALA 28 H ALA 28 -4.951 4.160 5.440 229 HA ALA 28 HA ALA 28 -3.263 5.814 7.214 230 HB1 ALA 28 HB1 ALA 28 -6.009 4.512 7.648 231 HB2 ALA 28 HB2 ALA 28 -5.224 5.708 8.704 232 HB3 ALA 28 HB3 ALA 28 -5.705 6.164 7.067 233 H LYS 29 H LYS 29 -4.632 2.471 7.348 234 HA LYS 29 HA LYS 29 -3.523 1.624 9.767 235 HB2 LYS 29 HB2 LYS 29 -4.220 0.136 7.213 236 HB3 LYS 29 HB3 LYS 29 -3.551 -0.723 8.618 237 HG2 LYS 29 HG2 LYS 29 -5.351 -0.058 10.039 238 HG3 LYS 29 HG3 LYS 29 -5.982 1.070 8.851 239 HD2 LYS 29 HD2 LYS 29 -6.720 -0.703 7.390 240 HD3 LYS 29 HD3 LYS 29 -5.859 -1.934 8.358 241 HE2 LYS 29 HE2 LYS 29 -7.304 -1.577 10.258 242 HE3 LYS 29 HE3 LYS 29 -8.077 -0.186 9.500 243 HZ1 LYS 29 HZ1 LYS 29 -9.142 -1.634 7.898 244 HZ2 LYS 29 HZ2 LYS 29 -9.390 -2.315 9.362 245 HZ3 LYS 29 HZ3 LYS 29 -8.278 -2.900 8.306 246 H ILE 30 H ILE 30 -1.797 1.758 6.680 247 HA ILE 30 HA ILE 30 0.486 0.304 7.527 248 HB ILE 30 HB ILE 30 -0.162 1.061 5.170 249 HG12 ILE 30 2HG1 ILE 30 2.751 1.484 5.970 250 HG13 ILE 30 3HG1 ILE 30 1.977 -0.094 5.863 251 HG21 ILE 30 1HG2 ILE 30 1.448 3.556 5.817 252 HG22 ILE 30 2HG2 ILE 30 0.617 3.149 4.308 253 HG23 ILE 30 3HG2 ILE 30 -0.319 3.508 5.751 254 HD11 ILE 30 3HD1 ILE 30 1.432 0.329 3.450 255 HD12 ILE 30 1HD1 ILE 30 2.399 1.819 3.540 256 HD13 ILE 30 2HD1 ILE 30 3.165 0.246 3.801 257 H GLN 31 H GLN 31 -0.378 3.661 8.382 258 HA GLN 31 HA GLN 31 2.365 4.235 9.237 259 HB2 GLN 31 HB2 GLN 31 -0.195 5.857 9.397 260 HB3 GLN 31 HB3 GLN 31 1.345 6.375 10.070 261 HG2 GLN 31 HG2 GLN 31 1.894 7.270 8.111 262 HG3 GLN 31 HG3 GLN 31 2.086 5.642 7.490 263 HE21 GLN 31 1HE2 GLN 31 1.271 5.810 5.389 264 HE22 GLN 31 2HE2 GLN 31 -0.420 6.278 5.140 265 H ASP 32 H ASP 32 -0.717 3.403 10.877 266 HA ASP 32 HA ASP 32 0.435 3.637 13.544 267 HB2 ASP 32 HB2 ASP 32 -2.163 3.290 12.447 268 HB3 ASP 32 HB3 ASP 32 -1.860 1.789 13.296 269 H LYS 33 H LYS 33 0.462 1.124 11.077 270 HA LYS 33 HA LYS 33 1.427 -0.922 12.971 271 HB2 LYS 33 HB2 LYS 33 -0.100 -1.020 10.639 272 HB3 LYS 33 HB3 LYS 33 1.455 -1.639 10.106 273 HG2 LYS 33 HG2 LYS 33 -0.222 -2.628 12.456 274 HG3 LYS 33 HG3 LYS 33 -0.156 -3.373 10.879 275 HD2 LYS 33 HD2 LYS 33 2.243 -3.914 11.204 276 HD3 LYS 33 HD3 LYS 33 2.172 -3.172 12.835 277 HE2 LYS 33 HE2 LYS 33 0.495 -4.760 13.577 278 HE3 LYS 33 HE3 LYS 33 0.367 -5.467 11.966 279 HZ1 LYS 33 HZ1 LYS 33 2.851 -5.494 13.592 280 HZ2 LYS 33 HZ2 LYS 33 2.660 -6.202 12.159 281 HZ3 LYS 33 HZ3 LYS 33 1.813 -6.784 13.442 282 H GLU 34 H GLU 34 2.914 0.989 10.308 283 HA GLU 34 HA GLU 34 5.570 0.030 11.306 284 HB2 GLU 34 HB2 GLU 34 4.805 -1.359 9.390 285 HB3 GLU 34 HB3 GLU 34 4.652 0.099 8.407 286 HG2 GLU 34 HG2 GLU 34 6.675 -1.128 7.912 287 HG3 GLU 34 HG3 GLU 34 7.058 0.478 8.487 288 H GLY 35 H GLY 35 3.793 2.636 9.693 289 HA2 GLY 35 HA2 GLY 35 4.330 4.921 10.058 290 HA3 GLY 35 HA3 GLY 35 5.982 4.492 10.462 291 H ILE 36 H ILE 36 4.096 3.722 7.483 292 HA ILE 36 HA ILE 36 6.162 5.140 5.847 293 HB ILE 36 HB ILE 36 4.183 2.993 5.066 294 HG12 ILE 36 2HG1 ILE 36 7.228 2.866 5.330 295 HG13 ILE 36 3HG1 ILE 36 6.112 2.254 6.539 296 HG21 ILE 36 1HG2 ILE 36 6.414 4.263 3.403 297 HG22 ILE 36 2HG2 ILE 36 5.327 2.957 2.888 298 HG23 ILE 36 3HG2 ILE 36 4.678 4.551 3.172 299 HD11 ILE 36 3HD1 ILE 36 6.385 1.163 3.727 300 HD12 ILE 36 1HD1 ILE 36 6.904 0.418 5.246 301 HD13 ILE 36 2HD1 ILE 36 5.174 0.641 4.928 302 HA PRO 37 HA PRO 37 2.554 7.967 5.526 303 HB2 PRO 37 HB2 PRO 37 3.820 10.359 5.492 304 HB3 PRO 37 HB3 PRO 37 3.677 9.387 6.992 305 HG2 PRO 37 HG2 PRO 37 6.023 9.489 5.054 306 HG3 PRO 37 HG3 PRO 37 6.054 9.712 6.834 307 HD2 PRO 37 HD2 PRO 37 6.578 7.295 5.683 308 HD3 PRO 37 HD3 PRO 37 5.687 7.434 7.228 309 HA PRO 38 HA PRO 38 2.599 8.561 1.087 310 HB2 PRO 38 HB2 PRO 38 0.757 10.532 0.694 311 HB3 PRO 38 HB3 PRO 38 0.306 8.900 1.289 312 HG2 PRO 38 HG2 PRO 38 0.834 11.414 2.938 313 HG3 PRO 38 HG3 PRO 38 -0.581 10.319 3.017 314 HD2 PRO 38 HD2 PRO 38 1.505 10.058 4.728 315 HD3 PRO 38 HD3 PRO 38 0.669 8.615 4.080 316 H ASP 39 H ASP 39 3.456 11.296 3.158 317 HA ASP 39 HA ASP 39 4.113 13.318 1.488 318 HB2 ASP 39 HB2 ASP 39 5.957 12.353 3.684 319 HB3 ASP 39 HB3 ASP 39 5.806 13.987 3.103 320 H GLN 40 H GLN 40 5.835 10.285 1.775 321 HA GLN 40 HA GLN 40 8.213 11.307 0.280 322 HB2 GLN 40 HB2 GLN 40 8.274 10.734 2.714 323 HB3 GLN 40 HB3 GLN 40 7.968 9.063 2.320 324 HG2 GLN 40 HG2 GLN 40 10.298 10.604 1.097 325 HG3 GLN 40 HG3 GLN 40 10.400 9.969 2.742 326 HE21 GLN 40 1HE2 GLN 40 12.255 9.154 0.995 327 HE22 GLN 40 2HE2 GLN 40 11.917 7.482 0.499 328 H ASN 41 H ASN 41 5.592 9.064 -0.116 329 HA ASN 41 HA ASN 41 6.823 7.746 -2.425 330 HB2 ASN 41 HB2 ASN 41 6.748 5.477 -1.214 331 HB3 ASN 41 HB3 ASN 41 7.918 6.577 -0.547 332 HD21 ASN 41 1HD2 ASN 41 7.774 6.976 1.633 333 HD22 ASN 41 2HD2 ASN 41 6.263 6.719 2.552 334 H ARG 42 H ARG 42 5.277 5.772 -3.159 335 HA ARG 42 HA ARG 42 2.453 6.209 -2.458 336 HB2 ARG 42 HB2 ARG 42 3.565 7.269 -5.030 337 HB3 ARG 42 HB3 ARG 42 2.121 6.298 -5.177 338 HG2 ARG 42 HG2 ARG 42 1.082 7.767 -3.324 339 HG3 ARG 42 HG3 ARG 42 2.441 8.871 -3.615 340 HD2 ARG 42 HD2 ARG 42 1.811 8.904 -6.059 341 HD3 ARG 42 HD3 ARG 42 0.389 7.909 -5.675 342 HE ARG 42 HE ARG 42 0.796 10.760 -5.107 343 HH11 ARG 42 1HH1 ARG 42 -1.464 8.098 -4.468 344 HH12 ARG 42 2HH1 ARG 42 -2.694 9.308 -4.055 345 HH21 ARG 42 1HH2 ARG 42 -0.886 12.031 -4.670 346 HH22 ARG 42 2HH2 ARG 42 -2.399 11.310 -4.143 347 H LEU 43 H LEU 43 1.287 4.482 -2.572 348 HA LEU 43 HA LEU 43 2.372 1.891 -3.200 349 HB2 LEU 43 HB2 LEU 43 -0.340 3.003 -2.390 350 HB3 LEU 43 HB3 LEU 43 -0.227 1.377 -2.958 351 HG LEU 43 HG LEU 43 -0.248 1.491 -0.543 352 HD11 LEU 43 1HD1 LEU 43 2.388 0.409 -1.599 353 HD12 LEU 43 2HD1 LEU 43 0.816 -0.399 -1.762 354 HD13 LEU 43 3HD1 LEU 43 1.495 -0.111 -0.153 355 HD21 LEU 43 3HD2 LEU 43 1.688 2.210 0.746 356 HD22 LEU 43 1HD2 LEU 43 1.029 3.577 -0.166 357 HD23 LEU 43 2HD2 LEU 43 2.513 2.764 -0.716 358 H ILE 44 H ILE 44 2.518 0.878 -5.053 359 HA ILE 44 HA ILE 44 0.503 1.437 -7.243 360 HB ILE 44 HB ILE 44 3.229 0.122 -7.477 361 HG12 ILE 44 2HG1 ILE 44 3.569 2.445 -6.940 362 HG13 ILE 44 3HG1 ILE 44 4.015 2.127 -8.601 363 HG21 ILE 44 1HG2 ILE 44 1.811 -0.699 -9.244 364 HG22 ILE 44 2HG2 ILE 44 1.198 0.931 -9.604 365 HG23 ILE 44 3HG2 ILE 44 2.885 0.506 -9.946 366 HD11 ILE 44 3HD1 ILE 44 1.436 3.501 -7.724 367 HD12 ILE 44 1HD1 ILE 44 2.869 4.283 -8.404 368 HD13 ILE 44 2HD1 ILE 44 1.914 3.177 -9.406 369 H PHE 45 H PHE 45 -0.804 -0.183 -8.058 370 HA PHE 45 HA PHE 45 -0.082 -2.974 -7.336 371 HB2 PHE 45 HB2 PHE 45 -1.807 -2.682 -5.881 372 HB3 PHE 45 HB3 PHE 45 -2.795 -1.820 -7.044 373 HD1 PHE 45 HD1 PHE 45 -1.600 -5.185 -6.037 374 HD2 PHE 45 HD2 PHE 45 -4.197 -2.956 -8.664 375 HE1 PHE 45 HE1 PHE 45 -2.823 -7.269 -6.609 376 HE2 PHE 45 HE2 PHE 45 -5.412 -5.043 -9.217 377 HZ PHE 45 HZ PHE 45 -4.732 -7.201 -8.200 378 H ALA 46 H ALA 46 0.440 -4.213 -8.890 379 HA ALA 46 HA ALA 46 0.933 -4.989 -10.929 380 HB1 ALA 46 HB1 ALA 46 -0.966 -5.706 -12.254 381 HB2 ALA 46 HB2 ALA 46 -1.306 -5.907 -10.523 382 HB3 ALA 46 HB3 ALA 46 -2.019 -4.549 -11.419 383 H GLY 47 H GLY 47 0.326 -1.767 -10.866 384 HA2 GLY 47 HA2 GLY 47 1.819 -0.546 -12.628 385 HA3 GLY 47 HA3 GLY 47 0.671 -1.247 -13.775 386 H LYS 48 H LYS 48 -1.545 -0.910 -11.650 387 HA LYS 48 HA LYS 48 -2.217 1.900 -12.300 388 HB2 LYS 48 HB2 LYS 48 -3.781 -0.460 -11.241 389 HB3 LYS 48 HB3 LYS 48 -4.338 1.176 -10.839 390 HG2 LYS 48 HG2 LYS 48 -4.301 1.759 -13.242 391 HG3 LYS 48 HG3 LYS 48 -3.796 0.149 -13.668 392 HD2 LYS 48 HD2 LYS 48 -5.909 -0.766 -12.876 393 HD3 LYS 48 HD3 LYS 48 -6.438 0.843 -12.232 394 HE2 LYS 48 HE2 LYS 48 -6.370 1.762 -14.529 395 HE3 LYS 48 HE3 LYS 48 -5.733 0.255 -15.157 396 HZ1 LYS 48 HZ1 LYS 48 -7.788 -0.845 -14.572 397 HZ2 LYS 48 HZ2 LYS 48 -7.996 0.374 -15.643 398 HZ3 LYS 48 HZ3 LYS 48 -8.483 0.619 -14.124 399 H GLN 49 H GLN 49 -2.278 3.544 -11.043 400 HA GLN 49 HA GLN 49 -1.121 3.560 -8.361 401 HB2 GLN 49 HB2 GLN 49 -2.675 5.747 -9.866 402 HB3 GLN 49 HB3 GLN 49 -1.692 5.940 -8.431 403 HG2 GLN 49 HG2 GLN 49 -0.206 6.680 -9.966 404 HG3 GLN 49 HG3 GLN 49 0.267 4.992 -9.943 405 HE21 GLN 49 1HE2 GLN 49 0.755 6.908 -12.092 406 HE22 GLN 49 2HE2 GLN 49 -0.158 6.363 -13.484 407 H LEU 50 H LEU 50 -2.276 4.477 -6.532 408 HA LEU 50 HA LEU 50 -5.059 3.468 -6.196 409 HB2 LEU 50 HB2 LEU 50 -2.634 3.040 -4.398 410 HB3 LEU 50 HB3 LEU 50 -4.279 2.641 -3.980 411 HG LEU 50 HG LEU 50 -2.639 1.393 -6.230 412 HD11 LEU 50 1HD1 LEU 50 -2.841 -0.641 -4.847 413 HD12 LEU 50 2HD1 LEU 50 -3.738 0.259 -3.604 414 HD13 LEU 50 3HD1 LEU 50 -2.042 0.653 -3.962 415 HD21 LEU 50 3HD2 LEU 50 -4.558 -0.238 -6.403 416 HD22 LEU 50 1HD2 LEU 50 -4.965 1.375 -6.938 417 HD23 LEU 50 2HD2 LEU 50 -5.526 0.816 -5.347 418 H GLU 51 H GLU 51 -5.786 5.466 -6.469 419 HA GLU 51 HA GLU 51 -5.404 7.805 -4.764 420 HB2 GLU 51 HB2 GLU 51 -7.067 6.751 -6.977 421 HB3 GLU 51 HB3 GLU 51 -7.940 7.885 -5.920 422 HG2 GLU 51 HG2 GLU 51 -5.301 8.495 -7.306 423 HG3 GLU 51 HG3 GLU 51 -6.869 8.834 -8.004 424 H ASP 52 H ASP 52 -7.714 8.476 -3.613 425 HA ASP 52 HA ASP 52 -8.421 6.215 -1.827 426 HB2 ASP 52 HB2 ASP 52 -9.412 7.907 -0.301 427 HB3 ASP 52 HB3 ASP 52 -7.660 7.828 -0.516 428 H GLY 53 H GLY 53 -10.954 7.320 -0.945 429 HA2 GLY 53 HA2 GLY 53 -13.183 7.156 -1.374 430 HA3 GLY 53 HA3 GLY 53 -12.814 7.280 -3.080 431 H ARG 54 H ARG 54 -11.523 4.904 -3.630 432 HA ARG 54 HA ARG 54 -13.806 3.053 -3.728 433 HB2 ARG 54 HB2 ARG 54 -10.996 2.920 -4.893 434 HB3 ARG 54 HB3 ARG 54 -12.215 1.694 -5.156 435 HG2 ARG 54 HG2 ARG 54 -13.766 3.462 -6.081 436 HG3 ARG 54 HG3 ARG 54 -12.410 4.589 -6.009 437 HD2 ARG 54 HD2 ARG 54 -11.015 3.125 -7.446 438 HD3 ARG 54 HD3 ARG 54 -12.401 1.996 -7.585 439 HE ARG 54 HE ARG 54 -12.084 4.482 -8.979 440 HH11 ARG 54 1HH1 ARG 54 -14.522 2.127 -8.107 441 HH12 ARG 54 2HH1 ARG 54 -15.512 2.615 -9.470 442 HH21 ARG 54 1HH2 ARG 54 -13.355 4.950 -10.684 443 HH22 ARG 54 2HH2 ARG 54 -14.944 4.252 -10.784 444 H THR 55 H THR 55 -13.184 0.585 -3.624 445 HA THR 55 HA THR 55 -11.776 0.010 -1.070 446 HB THR 55 HB THR 55 -13.136 -1.617 -0.378 447 HG1 THR 55 HG1 THR 55 -14.554 -2.722 -1.650 448 HG21 THR 55 1HG2 THR 55 -15.446 -0.927 -0.403 449 HG22 THR 55 2HG2 THR 55 -15.187 0.051 -1.857 450 HG23 THR 55 3HG2 THR 55 -14.429 0.534 -0.327 451 H LEU 56 H LEU 56 -10.881 -2.189 -0.819 452 HA LEU 56 HA LEU 56 -8.879 -2.762 -2.719 453 HB2 LEU 56 HB2 LEU 56 -10.293 -4.447 -0.671 454 HB3 LEU 56 HB3 LEU 56 -8.906 -5.053 -1.525 455 HG LEU 56 HG LEU 56 -8.828 -2.457 0.169 456 HD11 LEU 56 1HD1 LEU 56 -8.055 -5.347 0.967 457 HD12 LEU 56 2HD1 LEU 56 -9.415 -4.384 1.569 458 HD13 LEU 56 3HD1 LEU 56 -7.798 -3.863 1.911 459 HD21 LEU 56 3HD2 LEU 56 -6.993 -2.636 -1.421 460 HD22 LEU 56 1HD2 LEU 56 -6.655 -4.338 -1.017 461 HD23 LEU 56 2HD2 LEU 56 -6.353 -3.031 0.143 462 H SER 57 H SER 57 -12.063 -4.439 -2.339 463 HA SER 57 HA SER 57 -11.595 -6.243 -4.529 464 HB2 SER 57 HB2 SER 57 -14.187 -5.311 -3.227 465 HB3 SER 57 HB3 SER 57 -14.029 -6.686 -4.323 466 HG SER 57 HG SER 57 -12.613 -7.646 -2.843 467 H ASP 58 H ASP 58 -12.661 -2.907 -4.542 468 HA ASP 58 HA ASP 58 -13.952 -2.988 -7.194 469 HB2 ASP 58 HB2 ASP 58 -14.331 -1.340 -5.214 470 HB3 ASP 58 HB3 ASP 58 -12.819 -0.587 -5.698 471 H TYR 59 H TYR 59 -10.709 -2.332 -5.838 472 HA TYR 59 HA TYR 59 -9.524 -1.917 -8.466 473 HB2 TYR 59 HB2 TYR 59 -8.490 -1.716 -5.692 474 HB3 TYR 59 HB3 TYR 59 -7.341 -2.111 -6.954 475 HD1 TYR 59 HD2 TYR 59 -7.020 -0.666 -8.925 476 HD2 TYR 59 HD1 TYR 59 -9.230 0.603 -5.481 477 HE1 TYR 59 HE2 TYR 59 -6.441 1.693 -9.433 478 HE2 TYR 59 HE1 TYR 59 -8.618 2.979 -5.977 479 HH TYR 59 HH TYR 59 -6.195 3.720 -8.406 480 H ASN 60 H ASN 60 -10.794 -4.600 -7.528 481 HA ASN 60 HA ASN 60 -10.534 -6.781 -7.936 482 HB2 ASN 60 HB2 ASN 60 -10.111 -5.668 -10.233 483 HB3 ASN 60 HB3 ASN 60 -8.412 -6.086 -9.988 484 HD21 ASN 60 1HD2 ASN 60 -9.133 -7.140 -12.179 485 HD22 ASN 60 2HD2 ASN 60 -9.778 -8.780 -12.025 486 H ILE 61 H ILE 61 -8.795 -5.617 -5.822 487 HA ILE 61 HA ILE 61 -6.289 -7.122 -5.898 488 HB ILE 61 HB ILE 61 -7.445 -5.481 -3.629 489 HG12 ILE 61 2HG1 ILE 61 -5.700 -4.705 -5.991 490 HG13 ILE 61 3HG1 ILE 61 -7.284 -4.059 -5.572 491 HG21 ILE 61 1HG2 ILE 61 -5.126 -5.401 -2.817 492 HG22 ILE 61 2HG2 ILE 61 -5.645 -7.073 -2.958 493 HG23 ILE 61 3HG2 ILE 61 -4.597 -6.372 -4.209 494 HD11 ILE 61 3HD1 ILE 61 -4.700 -3.532 -4.063 495 HD12 ILE 61 1HD1 ILE 61 -5.611 -2.416 -5.084 496 HD13 ILE 61 2HD1 ILE 61 -6.322 -2.980 -3.566 497 H GLN 62 H GLN 62 -5.857 -9.048 -5.032 498 HA GLN 62 HA GLN 62 -8.062 -10.594 -3.782 499 HB2 GLN 62 HB2 GLN 62 -5.554 -11.474 -5.262 500 HB3 GLN 62 HB3 GLN 62 -6.805 -12.570 -4.623 501 HG2 GLN 62 HG2 GLN 62 -8.465 -11.694 -6.177 502 HG3 GLN 62 HG3 GLN 62 -7.383 -10.419 -6.707 503 HE21 GLN 62 1HE2 GLN 62 -7.572 -11.080 -8.901 504 HE22 GLN 62 2HE2 GLN 62 -6.713 -12.508 -9.476 505 H LYS 63 H LYS 63 -7.407 -12.388 -2.209 506 HA LYS 63 HA LYS 63 -5.819 -11.401 -0.016 507 HB2 LYS 63 HB2 LYS 63 -6.218 -13.515 1.058 508 HB3 LYS 63 HB3 LYS 63 -7.676 -13.083 0.190 509 HG2 LYS 63 HG2 LYS 63 -7.079 -14.553 -1.705 510 HG3 LYS 63 HG3 LYS 63 -5.600 -15.057 -0.885 511 HD2 LYS 63 HD2 LYS 63 -8.332 -15.544 0.354 512 HD3 LYS 63 HD3 LYS 63 -7.650 -16.606 -0.876 513 HE2 LYS 63 HE2 LYS 63 -5.579 -16.869 0.574 514 HE3 LYS 63 HE3 LYS 63 -6.446 -16.022 1.857 515 HZ1 LYS 63 HZ1 LYS 63 -6.672 -18.395 2.118 516 HZ2 LYS 63 HZ2 LYS 63 -7.248 -18.631 0.636 517 HZ3 LYS 63 HZ3 LYS 63 -8.151 -17.839 1.744 518 H GLU 64 H GLU 64 -3.752 -11.879 0.679 519 HA GLU 64 HA GLU 64 -1.545 -12.089 0.469 520 HB2 GLU 64 HB2 GLU 64 -2.270 -14.653 -0.985 521 HB3 GLU 64 HB3 GLU 64 -0.616 -14.198 -0.545 522 HG2 GLU 64 HG2 GLU 64 -1.220 -14.050 1.832 523 HG3 GLU 64 HG3 GLU 64 -2.886 -14.462 1.457 524 H SER 65 H SER 65 -3.012 -10.514 -1.655 525 HA SER 65 HA SER 65 -1.429 -10.481 -4.030 526 HB2 SER 65 HB2 SER 65 -2.966 -8.244 -2.641 527 HB3 SER 65 HB3 SER 65 -2.115 -8.043 -4.176 528 HG SER 65 HG SER 65 -4.290 -9.684 -3.573 529 H THR 66 H THR 66 0.456 -9.622 -4.576 530 HA THR 66 HA THR 66 1.990 -7.986 -2.628 531 HB THR 66 HB THR 66 3.117 -9.034 -5.216 532 HG1 THR 66 HG1 THR 66 2.353 -10.747 -3.863 533 HG21 THR 66 1HG2 THR 66 4.433 -7.259 -4.110 534 HG22 THR 66 2HG2 THR 66 5.249 -8.827 -3.991 535 HG23 THR 66 3HG2 THR 66 4.391 -8.171 -2.581 536 H LEU 67 H LEU 67 1.418 -5.967 -2.628 537 HA LEU 67 HA LEU 67 1.097 -4.371 -5.081 538 HB2 LEU 67 HB2 LEU 67 1.288 -3.596 -2.120 539 HB3 LEU 67 HB3 LEU 67 1.047 -2.478 -3.482 540 HG LEU 67 HG LEU 67 -1.007 -4.122 -3.979 541 HD11 LEU 67 1HD1 LEU 67 -0.748 -4.308 -0.990 542 HD12 LEU 67 2HD1 LEU 67 -0.694 -5.681 -2.106 543 HD13 LEU 67 3HD1 LEU 67 -2.199 -4.742 -1.911 544 HD21 LEU 67 3HD2 LEU 67 -1.095 -2.007 -1.844 545 HD22 LEU 67 1HD2 LEU 67 -2.464 -2.539 -2.844 546 HD23 LEU 67 2HD2 LEU 67 -1.080 -1.676 -3.591 547 H HIS 68 H HIS 68 2.568 -2.610 -5.554 548 HA HIS 68 HA HIS 68 5.397 -2.865 -4.605 549 HB2 HIS 68 HB2 HIS 68 4.400 -1.881 -7.295 550 HB3 HIS 68 HB3 HIS 68 6.018 -1.716 -6.710 551 HD1 HIS 68 HD1 HIS 68 3.951 -5.024 -6.972 552 HD2 HIS 68 HD2 HIS 68 7.626 -3.217 -7.939 553 HE1 HIS 68 HE1 HIS 68 5.364 -6.813 -8.133 554 H LEU 69 H LEU 69 6.561 -1.087 -4.661 555 HA LEU 69 HA LEU 69 4.905 1.284 -3.996 556 HB2 LEU 69 HB2 LEU 69 5.949 0.215 -2.029 557 HB3 LEU 69 HB3 LEU 69 7.505 0.414 -2.794 558 HG LEU 69 HG LEU 69 7.351 2.855 -2.574 559 HD11 LEU 69 1HD1 LEU 69 5.526 3.701 -1.036 560 HD12 LEU 69 2HD1 LEU 69 4.792 2.117 -1.093 561 HD13 LEU 69 3HD1 LEU 69 4.910 3.093 -2.573 562 HD21 LEU 69 3HD2 LEU 69 8.488 1.550 -0.866 563 HD22 LEU 69 1HD2 LEU 69 6.941 1.290 -0.015 564 HD23 LEU 69 2HD2 LEU 69 7.627 2.920 -0.142 565 H VAL 70 H VAL 70 5.612 3.279 -4.594 566 HA VAL 70 HA VAL 70 8.419 3.428 -5.625 567 HB VAL 70 HB VAL 70 7.587 5.712 -6.715 568 HG11 VAL 70 1HG1 VAL 70 7.376 4.655 -8.782 569 HG12 VAL 70 2HG1 VAL 70 8.699 3.959 -7.817 570 HG13 VAL 70 3HG1 VAL 70 7.154 3.093 -7.973 571 HG21 VAL 70 3HG2 VAL 70 5.021 4.172 -6.938 572 HG22 VAL 70 1HG2 VAL 70 5.227 5.621 -5.936 573 HG23 VAL 70 2HG2 VAL 70 5.425 5.719 -7.699 574 H LEU 71 H LEU 71 9.315 5.504 -5.429 575 HA LEU 71 HA LEU 71 8.652 7.137 -3.126 576 HB2 LEU 71 HB2 LEU 71 10.318 7.738 -5.574 577 HB3 LEU 71 HB3 LEU 71 10.219 8.777 -4.168 578 HG LEU 71 HG LEU 71 11.254 5.927 -4.027 579 HD11 LEU 71 1HD1 LEU 71 13.481 6.953 -3.895 580 HD12 LEU 71 2HD1 LEU 71 12.777 8.554 -4.207 581 HD13 LEU 71 3HD1 LEU 71 12.710 7.283 -5.451 582 HD21 LEU 71 3HD2 LEU 71 11.410 8.273 -2.074 583 HD22 LEU 71 1HD2 LEU 71 12.197 6.690 -1.871 584 HD23 LEU 71 2HD2 LEU 71 10.434 6.808 -1.855 585 H ARG 72 H ARG 72 8.375 9.459 -3.411 586 HA ARG 72 HA ARG 72 6.233 10.433 -5.047 587 HB2 ARG 72 HB2 ARG 72 8.622 11.842 -3.787 588 HB3 ARG 72 HB3 ARG 72 7.358 12.701 -4.642 589 HG2 ARG 72 HG2 ARG 72 6.752 10.940 -2.274 590 HG3 ARG 72 HG3 ARG 72 7.289 12.607 -2.075 591 HD2 ARG 72 HD2 ARG 72 4.774 11.717 -3.536 592 HD3 ARG 72 HD3 ARG 72 4.829 12.254 -1.862 593 HE ARG 72 HE ARG 72 4.995 13.922 -4.289 594 HH11 ARG 72 1HH1 ARG 72 5.526 14.114 -0.776 595 HH12 ARG 72 2HH1 ARG 72 4.886 15.749 -0.762 596 HH21 ARG 72 1HH2 ARG 72 4.372 15.912 -4.137 597 HH22 ARG 72 2HH2 ARG 72 4.377 16.761 -2.581 598 H LEU 73 H LEU 73 9.729 10.837 -5.618 599 HA LEU 73 HA LEU 73 10.948 11.563 -7.358 600 HB2 LEU 73 HB2 LEU 73 9.325 9.418 -8.393 601 HB3 LEU 73 HB3 LEU 73 9.461 10.627 -9.659 602 HG LEU 73 HG LEU 73 11.996 10.626 -9.233 603 HD11 LEU 73 1HD1 LEU 73 12.952 8.649 -8.130 604 HD12 LEU 73 2HD1 LEU 73 11.326 8.061 -7.729 605 HD13 LEU 73 3HD1 LEU 73 11.955 9.543 -6.976 606 HD21 LEU 73 3HD2 LEU 73 10.697 8.030 -10.153 607 HD22 LEU 73 1HD2 LEU 73 12.368 8.540 -10.500 608 HD23 LEU 73 2HD2 LEU 73 11.006 9.463 -11.147 609 H ARG 74 H ARG 74 10.494 12.513 -9.940 610 HA ARG 74 HA ARG 74 8.600 14.775 -9.638 611 HB2 ARG 74 HB2 ARG 74 10.109 16.477 -10.355 612 HB3 ARG 74 HB3 ARG 74 10.776 15.729 -8.884 613 HG2 ARG 74 HG2 ARG 74 12.535 14.699 -10.116 614 HG3 ARG 74 HG3 ARG 74 11.775 14.928 -11.666 615 HD2 ARG 74 HD2 ARG 74 12.062 17.350 -11.549 616 HD3 ARG 74 HD3 ARG 74 12.731 17.211 -9.913 617 HE ARG 74 HE ARG 74 14.631 15.923 -10.883 618 HH11 ARG 74 1HH1 ARG 74 13.054 18.208 -13.099 619 HH12 ARG 74 2HH1 ARG 74 14.522 18.371 -14.028 620 HH21 ARG 74 1HH2 ARG 74 16.374 16.168 -12.215 621 HH22 ARG 74 2HH2 ARG 74 16.185 17.083 -13.689 622 H GLY 75 H GLY 75 8.019 15.800 -11.577 623 HA2 GLY 75 HA2 GLY 75 7.668 16.181 -13.835 624 HA3 GLY 75 HA3 GLY 75 9.066 15.100 -14.178 625 H GLY 76 H GLY 76 7.841 12.786 -12.854 626 HA2 GLY 76 HA2 GLY 76 5.233 12.121 -13.944 627 HA3 GLY 76 HA3 GLY 76 6.585 11.298 -14.780 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -6.208 -13.357 7.698 2 H2 MET 1 H2 MET 1 -7.724 -13.851 7.300 3 H3 MET 1 H3 MET 1 -7.254 -12.264 7.128 4 HA MET 1 HA MET 1 -6.245 -14.536 5.493 5 HB2 MET 1 HB2 MET 1 -8.249 -13.971 4.530 6 HB3 MET 1 HB3 MET 1 -8.156 -12.269 4.939 7 HG2 MET 1 HG2 MET 1 -6.505 -11.839 3.261 8 HG3 MET 1 HG3 MET 1 -6.291 -13.558 2.932 9 HE1 MET 1 HE1 MET 1 -8.267 -11.129 0.089 10 HE2 MET 1 HE2 MET 1 -7.647 -10.401 1.587 11 HE3 MET 1 HE3 MET 1 -6.618 -11.502 0.646 12 H GLN 2 H GLN 2 -4.081 -14.438 5.498 13 HA GLN 2 HA GLN 2 -2.755 -11.899 5.722 14 HB2 GLN 2 HB2 GLN 2 -1.804 -14.724 5.268 15 HB3 GLN 2 HB3 GLN 2 -0.684 -13.360 5.173 16 HG2 GLN 2 HG2 GLN 2 -0.777 -12.890 7.421 17 HG3 GLN 2 HG3 GLN 2 -2.453 -13.380 7.580 18 HE21 GLN 2 1HE2 GLN 2 0.885 -14.608 7.619 19 HE22 GLN 2 2HE2 GLN 2 0.411 -16.180 8.242 20 H ILE 3 H ILE 3 -1.481 -10.823 4.292 21 HA ILE 3 HA ILE 3 -1.397 -11.575 1.438 22 HB ILE 3 HB ILE 3 -1.855 -9.282 0.704 23 HG12 ILE 3 2HG1 ILE 3 -2.856 -8.701 3.527 24 HG13 ILE 3 3HG1 ILE 3 -1.329 -8.123 2.863 25 HG21 ILE 3 1HG2 ILE 3 -3.626 -11.043 0.681 26 HG22 ILE 3 2HG2 ILE 3 -4.239 -10.405 2.222 27 HG23 ILE 3 3HG2 ILE 3 -4.268 -9.399 0.758 28 HD11 ILE 3 3HD1 ILE 3 -4.080 -7.367 1.818 29 HD12 ILE 3 1HD1 ILE 3 -2.964 -6.360 2.751 30 HD13 ILE 3 2HD1 ILE 3 -2.529 -6.864 1.108 31 H PHE 4 H PHE 4 0.366 -10.455 0.297 32 HA PHE 4 HA PHE 4 2.556 -9.738 2.179 33 HB2 PHE 4 HB2 PHE 4 2.649 -11.433 -0.323 34 HB3 PHE 4 HB3 PHE 4 4.052 -10.909 0.595 35 HD1 PHE 4 HD1 PHE 4 3.974 -11.469 3.232 36 HD2 PHE 4 HD2 PHE 4 1.765 -13.556 0.164 37 HE1 PHE 4 HE1 PHE 4 3.795 -13.453 4.703 38 HE2 PHE 4 HE2 PHE 4 1.573 -15.532 1.653 39 HZ PHE 4 HZ PHE 4 2.581 -15.485 3.925 40 H VAL 5 H VAL 5 3.979 -8.111 1.703 41 HA VAL 5 HA VAL 5 3.629 -6.745 -0.925 42 HB VAL 5 HB VAL 5 4.608 -5.258 1.489 43 HG11 VAL 5 1HG1 VAL 5 3.954 -3.302 0.098 44 HG12 VAL 5 2HG1 VAL 5 5.230 -4.264 -0.642 45 HG13 VAL 5 3HG1 VAL 5 3.561 -4.406 -1.239 46 HG21 VAL 5 3HG2 VAL 5 1.763 -5.416 0.423 47 HG22 VAL 5 1HG2 VAL 5 2.324 -5.922 2.033 48 HG23 VAL 5 2HG2 VAL 5 2.354 -4.213 1.594 49 H LYS 6 H LYS 6 5.301 -6.400 -2.225 50 HA LYS 6 HA LYS 6 7.945 -7.594 -1.484 51 HB2 LYS 6 HB2 LYS 6 6.949 -8.695 -3.343 52 HB3 LYS 6 HB3 LYS 6 6.323 -7.212 -4.005 53 HG2 LYS 6 HG2 LYS 6 7.959 -7.916 -5.474 54 HG3 LYS 6 HG3 LYS 6 8.597 -6.475 -4.679 55 HD2 LYS 6 HD2 LYS 6 10.087 -7.920 -3.295 56 HD3 LYS 6 HD3 LYS 6 9.220 -9.367 -3.832 57 HE2 LYS 6 HE2 LYS 6 9.902 -8.563 -6.250 58 HE3 LYS 6 HE3 LYS 6 11.136 -7.622 -5.414 59 HZ1 LYS 6 HZ1 LYS 6 12.019 -9.706 -4.507 60 HZ2 LYS 6 HZ2 LYS 6 11.876 -9.847 -6.134 61 HZ3 LYS 6 HZ3 LYS 6 10.787 -10.572 -5.175 62 H THR 7 H THR 7 9.359 -6.076 -0.756 63 HA THR 7 HA THR 7 9.240 -3.352 -1.821 64 HB THR 7 HB THR 7 10.815 -2.693 -0.241 65 HG1 THR 7 HG1 THR 7 12.329 -3.980 0.611 66 HG21 THR 7 1HG2 THR 7 10.125 -3.509 1.928 67 HG22 THR 7 2HG2 THR 7 9.434 -4.979 1.226 68 HG23 THR 7 3HG2 THR 7 8.694 -3.402 0.888 69 H LEU 8 H LEU 8 11.112 -2.207 -2.580 70 HA LEU 8 HA LEU 8 12.550 -3.423 -4.763 71 HB2 LEU 8 HB2 LEU 8 12.754 -0.815 -3.213 72 HB3 LEU 8 HB3 LEU 8 13.922 -1.202 -4.466 73 HG LEU 8 HG LEU 8 10.960 -1.335 -5.108 74 HD11 LEU 8 1HD1 LEU 8 11.147 1.008 -5.913 75 HD12 LEU 8 2HD1 LEU 8 12.732 1.138 -5.123 76 HD13 LEU 8 3HD1 LEU 8 11.270 0.872 -4.143 77 HD21 LEU 8 3HD2 LEU 8 13.410 -0.619 -6.784 78 HD22 LEU 8 1HD2 LEU 8 11.750 -0.843 -7.372 79 HD23 LEU 8 2HD2 LEU 8 12.653 -2.227 -6.745 80 H THR 9 H THR 9 13.335 -3.090 -1.318 81 HA THR 9 HA THR 9 16.128 -4.011 -1.642 82 HB THR 9 HB THR 9 15.952 -4.112 0.921 83 HG1 THR 9 HG1 THR 9 14.279 -2.935 1.799 84 HG21 THR 9 1HG2 THR 9 16.082 -1.688 1.206 85 HG22 THR 9 2HG2 THR 9 15.341 -1.432 -0.392 86 HG23 THR 9 3HG2 THR 9 16.941 -2.188 -0.257 87 H GLY 10 H GLY 10 13.348 -5.603 -2.251 88 HA2 GLY 10 HA2 GLY 10 12.963 -7.830 -2.528 89 HA3 GLY 10 HA3 GLY 10 14.582 -8.168 -1.907 90 H LYS 11 H LYS 11 12.702 -6.396 0.373 91 HA LYS 11 HA LYS 11 12.405 -8.788 2.065 92 HB2 LYS 11 HB2 LYS 11 11.567 -5.911 2.593 93 HB3 LYS 11 HB3 LYS 11 11.431 -7.238 3.732 94 HG2 LYS 11 HG2 LYS 11 14.171 -7.211 2.854 95 HG3 LYS 11 HG3 LYS 11 13.711 -5.540 3.135 96 HD2 LYS 11 HD2 LYS 11 14.636 -6.350 5.176 97 HD3 LYS 11 HD3 LYS 11 12.889 -6.232 5.445 98 HE2 LYS 11 HE2 LYS 11 12.704 -8.699 4.962 99 HE3 LYS 11 HE3 LYS 11 14.452 -8.764 4.737 100 HZ1 LYS 11 HZ1 LYS 11 13.064 -8.052 7.275 101 HZ2 LYS 11 HZ2 LYS 11 14.716 -8.093 7.080 102 HZ3 LYS 11 HZ3 LYS 11 13.825 -9.450 6.958 103 H THR 12 H THR 12 10.600 -9.832 2.571 104 HA THR 12 HA THR 12 8.064 -9.049 1.286 105 HB THR 12 HB THR 12 8.365 -11.630 2.760 106 HG1 THR 12 HG1 THR 12 8.779 -12.457 0.600 107 HG21 THR 12 1HG2 THR 12 6.616 -12.339 1.193 108 HG22 THR 12 2HG2 THR 12 6.667 -10.755 0.382 109 HG23 THR 12 3HG2 THR 12 6.099 -10.889 2.062 110 H ILE 13 H ILE 13 6.712 -7.807 2.347 111 HA ILE 13 HA ILE 13 6.728 -7.759 5.325 112 HB ILE 13 HB ILE 13 4.968 -6.113 3.521 113 HG12 ILE 13 2HG1 ILE 13 7.215 -5.647 2.697 114 HG13 ILE 13 3HG1 ILE 13 6.529 -4.275 3.525 115 HG21 ILE 13 1HG2 ILE 13 5.001 -4.521 5.434 116 HG22 ILE 13 2HG2 ILE 13 4.297 -6.087 5.836 117 HG23 ILE 13 3HG2 ILE 13 5.943 -5.699 6.369 118 HD11 ILE 13 3HD1 ILE 13 7.923 -4.736 5.526 119 HD12 ILE 13 1HD1 ILE 13 8.584 -6.187 4.735 120 HD13 ILE 13 2HD1 ILE 13 8.920 -4.579 4.072 121 H THR 14 H THR 14 5.205 -8.744 6.500 122 HA THR 14 HA THR 14 2.884 -10.021 5.187 123 HB THR 14 HB THR 14 3.636 -10.489 8.055 124 HG1 THR 14 HG1 THR 14 5.214 -11.657 7.509 125 HG21 THR 14 1HG2 THR 14 2.147 -12.110 5.947 126 HG22 THR 14 2HG2 THR 14 1.473 -11.392 7.427 127 HG23 THR 14 3HG2 THR 14 2.626 -12.731 7.544 128 H LEU 15 H LEU 15 0.787 -9.479 5.505 129 HA LEU 15 HA LEU 15 0.097 -7.824 7.884 130 HB2 LEU 15 HB2 LEU 15 -0.949 -7.380 5.068 131 HB3 LEU 15 HB3 LEU 15 -1.597 -6.601 6.508 132 HG LEU 15 HG LEU 15 1.256 -6.243 5.534 133 HD11 LEU 15 1HD1 LEU 15 -1.154 -4.409 5.193 134 HD12 LEU 15 2HD1 LEU 15 -0.420 -5.397 3.908 135 HD13 LEU 15 3HD1 LEU 15 0.510 -4.091 4.649 136 HD21 LEU 15 3HD2 LEU 15 0.970 -5.744 7.942 137 HD22 LEU 15 1HD2 LEU 15 -0.378 -4.646 7.560 138 HD23 LEU 15 2HD2 LEU 15 1.279 -4.282 7.014 139 H GLU 16 H GLU 16 -2.006 -8.052 8.579 140 HA GLU 16 HA GLU 16 -3.568 -10.410 7.609 141 HB2 GLU 16 HB2 GLU 16 -3.107 -9.336 10.374 142 HB3 GLU 16 HB3 GLU 16 -4.709 -9.943 10.001 143 HG2 GLU 16 HG2 GLU 16 -2.273 -11.634 9.384 144 HG3 GLU 16 HG3 GLU 16 -2.939 -11.547 11.015 145 H VAL 17 H VAL 17 -5.463 -10.021 6.750 146 HA VAL 17 HA VAL 17 -6.978 -7.528 7.265 147 HB VAL 17 HB VAL 17 -7.335 -7.169 4.847 148 HG11 VAL 17 1HG1 VAL 17 -4.380 -7.040 5.553 149 HG12 VAL 17 2HG1 VAL 17 -5.228 -6.099 4.317 150 HG13 VAL 17 3HG1 VAL 17 -5.612 -5.853 6.032 151 HG21 VAL 17 3HG2 VAL 17 -5.083 -9.149 4.378 152 HG22 VAL 17 1HG2 VAL 17 -6.796 -9.428 3.990 153 HG23 VAL 17 2HG2 VAL 17 -5.891 -8.156 3.161 154 H GLU 18 H GLU 18 -9.139 -7.661 6.208 155 HA GLU 18 HA GLU 18 -10.211 -10.456 6.199 156 HB2 GLU 18 HB2 GLU 18 -11.450 -7.783 6.837 157 HB3 GLU 18 HB3 GLU 18 -12.457 -9.161 6.374 158 HG2 GLU 18 HG2 GLU 18 -11.752 -10.506 8.196 159 HG3 GLU 18 HG3 GLU 18 -10.377 -9.470 8.562 160 HA PRO 19 HA PRO 19 -10.742 -10.114 1.763 161 HB2 PRO 19 HB2 PRO 19 -12.873 -11.766 1.283 162 HB3 PRO 19 HB3 PRO 19 -11.271 -12.375 1.791 163 HG2 PRO 19 HG2 PRO 19 -13.684 -11.827 3.556 164 HG3 PRO 19 HG3 PRO 19 -12.684 -13.316 3.479 165 HD2 PRO 19 HD2 PRO 19 -12.233 -11.421 5.362 166 HD3 PRO 19 HD3 PRO 19 -10.867 -12.261 4.572 167 H SER 20 H SER 20 -13.014 -8.868 3.955 168 HA SER 20 HA SER 20 -14.434 -7.326 1.845 169 HB2 SER 20 HB2 SER 20 -16.106 -6.855 3.570 170 HB3 SER 20 HB3 SER 20 -15.896 -8.593 3.323 171 HG SER 20 HG SER 20 -14.862 -7.005 5.439 172 H ASP 21 H ASP 21 -11.603 -6.891 3.449 173 HA ASP 21 HA ASP 21 -11.969 -4.229 4.445 174 HB2 ASP 21 HB2 ASP 21 -9.533 -5.851 3.800 175 HB3 ASP 21 HB3 ASP 21 -9.396 -4.113 3.941 176 H THR 22 H THR 22 -11.887 -2.299 3.656 177 HA THR 22 HA THR 22 -12.005 -1.799 0.793 178 HB THR 22 HB THR 22 -12.158 0.572 1.497 179 HG1 THR 22 HG1 THR 22 -12.234 0.986 3.714 180 HG21 THR 22 1HG2 THR 22 -14.236 -0.849 1.507 181 HG22 THR 22 2HG2 THR 22 -14.275 0.487 2.672 182 HG23 THR 22 3HG2 THR 22 -13.967 -1.170 3.236 183 H ILE 23 H ILE 23 -10.455 -0.338 -0.338 184 HA ILE 23 HA ILE 23 -7.761 -1.285 0.135 185 HB ILE 23 HB ILE 23 -8.956 0.760 -1.767 186 HG12 ILE 23 2HG1 ILE 23 -9.716 -1.476 -2.264 187 HG13 ILE 23 3HG1 ILE 23 -8.570 -0.968 -3.475 188 HG21 ILE 23 1HG2 ILE 23 -6.095 -0.259 -1.647 189 HG22 ILE 23 2HG2 ILE 23 -6.830 0.525 -3.072 190 HG23 ILE 23 3HG2 ILE 23 -6.696 1.429 -1.575 191 HD11 ILE 23 3HD1 ILE 23 -6.808 -2.391 -2.378 192 HD12 ILE 23 1HD1 ILE 23 -8.050 -2.962 -1.233 193 HD13 ILE 23 2HD1 ILE 23 -8.212 -3.301 -2.957 194 H GLU 24 H GLU 24 -9.433 1.637 1.059 195 HA GLU 24 HA GLU 24 -7.165 3.042 2.164 196 HB2 GLU 24 HB2 GLU 24 -8.879 4.411 3.262 197 HB3 GLU 24 HB3 GLU 24 -9.132 4.214 1.547 198 HG2 GLU 24 HG2 GLU 24 -10.579 2.106 2.708 199 HG3 GLU 24 HG3 GLU 24 -10.848 3.411 3.827 200 H ASN 25 H ASN 25 -9.500 0.661 3.679 201 HA ASN 25 HA ASN 25 -8.449 0.718 6.323 202 HB2 ASN 25 HB2 ASN 25 -9.949 -1.268 4.676 203 HB3 ASN 25 HB3 ASN 25 -9.020 -1.889 6.017 204 HD21 ASN 25 1HD2 ASN 25 -10.956 -2.556 6.936 205 HD22 ASN 25 2HD2 ASN 25 -11.943 -1.385 7.829 206 H VAL 26 H VAL 26 -7.369 -1.237 3.521 207 HA VAL 26 HA VAL 26 -5.141 -2.417 4.912 208 HB VAL 26 HB VAL 26 -5.424 -2.013 1.933 209 HG11 VAL 26 1HG1 VAL 26 -3.871 -4.072 3.568 210 HG12 VAL 26 2HG1 VAL 26 -4.046 -4.092 1.800 211 HG13 VAL 26 3HG1 VAL 26 -3.167 -2.774 2.583 212 HG21 VAL 26 3HG2 VAL 26 -7.435 -3.157 2.679 213 HG22 VAL 26 1HG2 VAL 26 -6.376 -4.372 1.990 214 HG23 VAL 26 2HG2 VAL 26 -6.507 -4.214 3.752 215 H LYS 27 H LYS 27 -5.303 0.509 2.816 216 HA LYS 27 HA LYS 27 -2.498 1.128 3.075 217 HB2 LYS 27 HB2 LYS 27 -4.869 2.418 1.892 218 HB3 LYS 27 HB3 LYS 27 -3.931 3.578 2.802 219 HG2 LYS 27 HG2 LYS 27 -2.964 3.696 0.679 220 HG3 LYS 27 HG3 LYS 27 -1.850 2.725 1.628 221 HD2 LYS 27 HD2 LYS 27 -1.966 1.569 -0.417 222 HD3 LYS 27 HD3 LYS 27 -3.028 0.648 0.644 223 HE2 LYS 27 HE2 LYS 27 -4.119 0.871 -1.480 224 HE3 LYS 27 HE3 LYS 27 -5.000 1.857 -0.313 225 HZ1 LYS 27 HZ1 LYS 27 -2.982 2.939 -2.213 226 HZ2 LYS 27 HZ2 LYS 27 -4.000 3.827 -1.261 227 HZ3 LYS 27 HZ3 LYS 27 -4.555 2.921 -2.526 228 H ALA 28 H ALA 28 -5.106 1.582 5.341 229 HA ALA 28 HA ALA 28 -3.489 3.363 7.045 230 HB1 ALA 28 HB1 ALA 28 -5.944 3.537 6.997 231 HB2 ALA 28 HB2 ALA 28 -6.096 1.875 7.599 232 HB3 ALA 28 HB3 ALA 28 -5.359 3.124 8.623 233 H LYS 29 H LYS 29 -4.625 -0.053 7.349 234 HA LYS 29 HA LYS 29 -3.341 -0.692 9.761 235 HB2 LYS 29 HB2 LYS 29 -4.028 -2.422 7.350 236 HB3 LYS 29 HB3 LYS 29 -3.416 -3.093 8.861 237 HG2 LYS 29 HG2 LYS 29 -5.317 -2.273 10.118 238 HG3 LYS 29 HG3 LYS 29 -5.945 -1.404 8.711 239 HD2 LYS 29 HD2 LYS 29 -6.206 -3.577 7.498 240 HD3 LYS 29 HD3 LYS 29 -5.624 -4.432 8.945 241 HE2 LYS 29 HE2 LYS 29 -7.531 -3.432 10.241 242 HE3 LYS 29 HE3 LYS 29 -8.120 -2.678 8.765 243 HZ1 LYS 29 HZ1 LYS 29 -9.272 -4.779 9.146 244 HZ2 LYS 29 HZ2 LYS 29 -7.861 -5.609 9.188 245 HZ3 LYS 29 HZ3 LYS 29 -8.411 -4.936 7.800 246 H ILE 30 H ILE 30 -1.813 -0.663 6.570 247 HA ILE 30 HA ILE 30 0.562 -2.044 7.310 248 HB ILE 30 HB ILE 30 -0.296 -1.449 4.981 249 HG12 ILE 30 2HG1 ILE 30 2.636 -0.888 5.554 250 HG13 ILE 30 3HG1 ILE 30 1.920 -2.488 5.501 251 HG21 ILE 30 1HG2 ILE 30 1.230 1.145 5.335 252 HG22 ILE 30 2HG2 ILE 30 0.278 0.611 3.937 253 HG23 ILE 30 3HG2 ILE 30 -0.538 1.024 5.445 254 HD11 ILE 30 3HD1 ILE 30 2.966 -2.121 3.366 255 HD12 ILE 30 1HD1 ILE 30 1.214 -2.078 3.114 256 HD13 ILE 30 2HD1 ILE 30 2.149 -0.564 3.151 257 H GLN 31 H GLN 31 -0.358 1.330 7.986 258 HA GLN 31 HA GLN 31 2.411 2.040 8.648 259 HB2 GLN 31 HB2 GLN 31 -0.187 3.592 8.757 260 HB3 GLN 31 HB3 GLN 31 1.323 4.201 9.425 261 HG2 GLN 31 HG2 GLN 31 1.938 4.963 7.430 262 HG3 GLN 31 HG3 GLN 31 2.071 3.308 6.865 263 HE21 GLN 31 1HE2 GLN 31 1.187 3.302 4.808 264 HE22 GLN 31 2HE2 GLN 31 -0.446 3.919 4.513 265 H ASP 32 H ASP 32 -0.544 1.187 10.485 266 HA ASP 32 HA ASP 32 0.716 1.526 13.058 267 HB2 ASP 32 HB2 ASP 32 -1.645 1.538 13.001 268 HB3 ASP 32 HB3 ASP 32 -1.709 -0.001 12.178 269 H LYS 33 H LYS 33 0.223 -1.436 11.125 270 HA LYS 33 HA LYS 33 1.563 -3.132 12.945 271 HB2 LYS 33 HB2 LYS 33 -0.027 -3.539 10.857 272 HB3 LYS 33 HB3 LYS 33 1.472 -3.761 9.968 273 HG2 LYS 33 HG2 LYS 33 0.656 -5.319 12.483 274 HG3 LYS 33 HG3 LYS 33 0.322 -5.832 10.842 275 HD2 LYS 33 HD2 LYS 33 2.214 -6.997 10.911 276 HD3 LYS 33 HD3 LYS 33 3.042 -5.488 10.695 277 HE2 LYS 33 HE2 LYS 33 4.081 -6.625 12.511 278 HE3 LYS 33 HE3 LYS 33 3.235 -5.246 13.207 279 HZ1 LYS 33 HZ1 LYS 33 2.967 -7.360 14.457 280 HZ2 LYS 33 HZ2 LYS 33 2.175 -8.076 13.158 281 HZ3 LYS 33 HZ3 LYS 33 1.555 -6.789 13.954 282 H GLU 34 H GLU 34 2.915 -1.401 10.129 283 HA GLU 34 HA GLU 34 5.637 -2.155 11.130 284 HB2 GLU 34 HB2 GLU 34 4.689 -3.601 9.212 285 HB3 GLU 34 HB3 GLU 34 4.838 -2.167 8.202 286 HG2 GLU 34 HG2 GLU 34 6.730 -3.468 7.792 287 HG3 GLU 34 HG3 GLU 34 7.326 -2.147 8.787 288 H GLY 35 H GLY 35 3.860 0.243 9.133 289 HA2 GLY 35 HA2 GLY 35 4.313 2.595 9.510 290 HA3 GLY 35 HA3 GLY 35 5.968 2.226 9.928 291 H ILE 36 H ILE 36 4.051 1.292 7.026 292 HA ILE 36 HA ILE 36 6.132 2.546 5.282 293 HB ILE 36 HB ILE 36 4.054 0.449 4.662 294 HG12 ILE 36 2HG1 ILE 36 7.079 0.157 4.959 295 HG13 ILE 36 3HG1 ILE 36 5.920 -0.315 6.195 296 HG21 ILE 36 1HG2 ILE 36 5.123 0.165 2.507 297 HG22 ILE 36 2HG2 ILE 36 4.652 1.841 2.668 298 HG23 ILE 36 3HG2 ILE 36 6.355 1.376 2.910 299 HD11 ILE 36 3HD1 ILE 36 4.913 -1.975 4.673 300 HD12 ILE 36 1HD1 ILE 36 6.160 -1.596 3.457 301 HD13 ILE 36 2HD1 ILE 36 6.621 -2.272 5.025 302 HA PRO 37 HA PRO 37 2.592 5.465 4.817 303 HB2 PRO 37 HB2 PRO 37 3.920 7.825 4.720 304 HB3 PRO 37 HB3 PRO 37 3.751 6.905 6.248 305 HG2 PRO 37 HG2 PRO 37 6.106 6.879 4.316 306 HG3 PRO 37 HG3 PRO 37 6.141 7.159 6.086 307 HD2 PRO 37 HD2 PRO 37 6.604 4.694 5.020 308 HD3 PRO 37 HD3 PRO 37 5.712 4.918 6.558 309 HA PRO 38 HA PRO 38 2.693 5.966 0.370 310 HB2 PRO 38 HB2 PRO 38 1.086 8.163 -0.061 311 HB3 PRO 38 HB3 PRO 38 0.469 6.555 0.426 312 HG2 PRO 38 HG2 PRO 38 1.074 8.937 2.213 313 HG3 PRO 38 HG3 PRO 38 -0.406 7.924 2.181 314 HD2 PRO 38 HD2 PRO 38 1.560 7.475 3.987 315 HD3 PRO 38 HD3 PRO 38 0.706 6.107 3.220 316 H ASP 39 H ASP 39 3.366 8.950 2.288 317 HA ASP 39 HA ASP 39 4.766 10.262 0.256 318 HB2 ASP 39 HB2 ASP 39 4.682 10.695 3.212 319 HB3 ASP 39 HB3 ASP 39 5.708 11.681 2.160 320 H GLN 40 H GLN 40 5.824 7.457 0.980 321 HA GLN 40 HA GLN 40 8.660 8.198 0.356 322 HB2 GLN 40 HB2 GLN 40 8.272 7.465 2.706 323 HB3 GLN 40 HB3 GLN 40 7.731 5.903 2.137 324 HG2 GLN 40 HG2 GLN 40 10.459 6.869 1.259 325 HG3 GLN 40 HG3 GLN 40 10.232 6.469 2.952 326 HE21 GLN 40 1HE2 GLN 40 10.190 5.065 -0.312 327 HE22 GLN 40 2HE2 GLN 40 10.416 3.416 0.304 328 H ASN 41 H ASN 41 5.833 6.327 -0.587 329 HA ASN 41 HA ASN 41 7.217 4.919 -2.744 330 HB2 ASN 41 HB2 ASN 41 6.803 2.649 -1.568 331 HB3 ASN 41 HB3 ASN 41 7.983 3.634 -0.765 332 HD21 ASN 41 1HD2 ASN 41 7.673 3.789 1.474 333 HD22 ASN 41 2HD2 ASN 41 6.062 3.674 2.174 334 H ARG 42 H ARG 42 5.461 3.067 -3.606 335 HA ARG 42 HA ARG 42 2.691 3.811 -2.985 336 HB2 ARG 42 HB2 ARG 42 3.348 5.523 -4.658 337 HB3 ARG 42 HB3 ARG 42 3.665 4.242 -5.833 338 HG2 ARG 42 HG2 ARG 42 1.278 3.591 -5.796 339 HG3 ARG 42 HG3 ARG 42 0.969 4.714 -4.467 340 HD2 ARG 42 HD2 ARG 42 0.159 5.698 -6.523 341 HD3 ARG 42 HD3 ARG 42 1.537 6.634 -5.933 342 HE ARG 42 HE ARG 42 2.462 4.627 -7.744 343 HH11 ARG 42 1HH1 ARG 42 0.698 7.726 -7.995 344 HH12 ARG 42 2HH1 ARG 42 1.393 8.018 -9.551 345 HH21 ARG 42 1HH2 ARG 42 3.232 5.124 -9.727 346 HH22 ARG 42 2HH2 ARG 42 2.829 6.606 -10.503 347 H LEU 43 H LEU 43 1.492 2.116 -2.931 348 HA LEU 43 HA LEU 43 2.559 -0.488 -3.405 349 HB2 LEU 43 HB2 LEU 43 1.098 0.271 -1.504 350 HB3 LEU 43 HB3 LEU 43 -0.240 0.422 -2.640 351 HG LEU 43 HG LEU 43 -0.028 -2.082 -3.093 352 HD11 LEU 43 1HD1 LEU 43 1.130 -3.415 -1.352 353 HD12 LEU 43 2HD1 LEU 43 1.764 -1.926 -0.619 354 HD13 LEU 43 3HD1 LEU 43 2.282 -2.419 -2.245 355 HD21 LEU 43 3HD2 LEU 43 -1.751 -1.151 -1.605 356 HD22 LEU 43 1HD2 LEU 43 -0.601 -1.148 -0.243 357 HD23 LEU 43 2HD2 LEU 43 -1.144 -2.680 -0.954 358 H ILE 44 H ILE 44 2.512 -1.728 -5.163 359 HA ILE 44 HA ILE 44 0.462 -1.191 -7.314 360 HB ILE 44 HB ILE 44 3.183 -2.499 -7.587 361 HG12 ILE 44 2HG1 ILE 44 3.621 -0.246 -7.018 362 HG13 ILE 44 3HG1 ILE 44 3.941 -0.458 -8.720 363 HG21 ILE 44 1HG2 ILE 44 2.878 -2.089 -10.029 364 HG22 ILE 44 2HG2 ILE 44 1.718 -3.239 -9.375 365 HG23 ILE 44 3HG2 ILE 44 1.210 -1.570 -9.715 366 HD11 ILE 44 3HD1 ILE 44 2.866 1.701 -8.331 367 HD12 ILE 44 1HD1 ILE 44 1.791 0.674 -9.294 368 HD13 ILE 44 2HD1 ILE 44 1.476 0.926 -7.563 369 H PHE 45 H PHE 45 -0.756 -2.859 -8.219 370 HA PHE 45 HA PHE 45 0.092 -5.599 -7.624 371 HB2 PHE 45 HB2 PHE 45 -1.352 -5.459 -5.842 372 HB3 PHE 45 HB3 PHE 45 -2.578 -4.622 -6.780 373 HD1 PHE 45 HD1 PHE 45 -1.078 -7.923 -6.071 374 HD2 PHE 45 HD2 PHE 45 -4.139 -5.796 -8.245 375 HE1 PHE 45 HE1 PHE 45 -2.237 -10.067 -6.549 376 HE2 PHE 45 HE2 PHE 45 -5.294 -7.943 -8.710 377 HZ PHE 45 HZ PHE 45 -4.344 -10.076 -7.870 378 H ALA 46 H ALA 46 0.186 -6.923 -9.239 379 HA ALA 46 HA ALA 46 0.232 -7.572 -11.415 380 HB1 ALA 46 HB1 ALA 46 -1.773 -8.601 -10.430 381 HB2 ALA 46 HB2 ALA 46 -2.764 -7.257 -11.042 382 HB3 ALA 46 HB3 ALA 46 -1.942 -8.349 -12.177 383 H GLY 47 H GLY 47 0.756 -4.789 -11.330 384 HA2 GLY 47 HA2 GLY 47 1.330 -3.303 -13.078 385 HA3 GLY 47 HA3 GLY 47 0.061 -3.984 -14.093 386 H LYS 48 H LYS 48 -1.823 -3.585 -11.555 387 HA LYS 48 HA LYS 48 -2.599 -0.818 -12.250 388 HB2 LYS 48 HB2 LYS 48 -3.947 -2.854 -10.431 389 HB3 LYS 48 HB3 LYS 48 -4.548 -1.237 -10.798 390 HG2 LYS 48 HG2 LYS 48 -4.509 -1.938 -13.287 391 HG3 LYS 48 HG3 LYS 48 -4.307 -3.597 -12.688 392 HD2 LYS 48 HD2 LYS 48 -6.409 -3.210 -11.266 393 HD3 LYS 48 HD3 LYS 48 -6.583 -1.651 -12.073 394 HE2 LYS 48 HE2 LYS 48 -8.071 -3.141 -13.162 395 HE3 LYS 48 HE3 LYS 48 -6.740 -2.838 -14.281 396 HZ1 LYS 48 HZ1 LYS 48 -7.002 -5.243 -12.558 397 HZ2 LYS 48 HZ2 LYS 48 -5.799 -4.982 -13.667 398 HZ3 LYS 48 HZ3 LYS 48 -7.357 -5.193 -14.146 399 H GLN 49 H GLN 49 -2.787 0.838 -10.855 400 HA GLN 49 HA GLN 49 -1.385 0.849 -8.230 401 HB2 GLN 49 HB2 GLN 49 -1.503 2.759 -10.094 402 HB3 GLN 49 HB3 GLN 49 -3.091 3.084 -9.422 403 HG2 GLN 49 HG2 GLN 49 -0.436 3.133 -7.905 404 HG3 GLN 49 HG3 GLN 49 -1.250 4.545 -8.576 405 HE21 GLN 49 1HE2 GLN 49 -3.723 4.756 -7.718 406 HE22 GLN 49 2HE2 GLN 49 -3.883 4.362 -6.014 407 H LEU 50 H LEU 50 -2.775 1.430 -6.301 408 HA LEU 50 HA LEU 50 -5.536 0.276 -6.493 409 HB2 LEU 50 HB2 LEU 50 -3.491 0.057 -4.259 410 HB3 LEU 50 HB3 LEU 50 -5.146 -0.552 -4.198 411 HG LEU 50 HG LEU 50 -2.993 -1.538 -6.129 412 HD11 LEU 50 1HD1 LEU 50 -2.521 -2.159 -3.814 413 HD12 LEU 50 2HD1 LEU 50 -3.061 -3.571 -4.730 414 HD13 LEU 50 3HD1 LEU 50 -4.182 -2.775 -3.611 415 HD21 LEU 50 3HD2 LEU 50 -5.826 -2.543 -5.578 416 HD22 LEU 50 1HD2 LEU 50 -4.609 -3.393 -6.553 417 HD23 LEU 50 2HD2 LEU 50 -5.231 -1.840 -7.096 418 H GLU 51 H GLU 51 -6.876 1.981 -6.498 419 HA GLU 51 HA GLU 51 -6.312 4.349 -4.820 420 HB2 GLU 51 HB2 GLU 51 -7.082 4.000 -7.472 421 HB3 GLU 51 HB3 GLU 51 -8.600 4.481 -6.664 422 HG2 GLU 51 HG2 GLU 51 -7.485 6.473 -5.770 423 HG3 GLU 51 HG3 GLU 51 -5.915 5.921 -6.350 424 H ASP 52 H ASP 52 -8.440 5.481 -4.051 425 HA ASP 52 HA ASP 52 -9.426 3.773 -1.921 426 HB2 ASP 52 HB2 ASP 52 -10.602 5.940 -1.222 427 HB3 ASP 52 HB3 ASP 52 -8.849 5.891 -1.226 428 H GLY 53 H GLY 53 -11.715 3.999 -1.120 429 HA2 GLY 53 HA2 GLY 53 -13.920 3.520 -1.329 430 HA3 GLY 53 HA3 GLY 53 -13.880 4.251 -2.934 431 H ARG 54 H ARG 54 -11.727 1.695 -3.041 432 HA ARG 54 HA ARG 54 -13.758 -0.337 -3.930 433 HB2 ARG 54 HB2 ARG 54 -10.764 -0.207 -4.421 434 HB3 ARG 54 HB3 ARG 54 -11.861 -1.395 -5.109 435 HG2 ARG 54 HG2 ARG 54 -11.845 1.588 -5.753 436 HG3 ARG 54 HG3 ARG 54 -11.172 0.293 -6.730 437 HD2 ARG 54 HD2 ARG 54 -13.232 0.846 -7.733 438 HD3 ARG 54 HD3 ARG 54 -13.449 -0.709 -6.946 439 HE ARG 54 HE ARG 54 -14.219 1.686 -5.391 440 HH11 ARG 54 1HH1 ARG 54 -15.477 -1.168 -6.967 441 HH12 ARG 54 2HH1 ARG 54 -17.118 -0.661 -6.780 442 HH21 ARG 54 1HH2 ARG 54 -16.216 1.873 -4.663 443 HH22 ARG 54 2HH2 ARG 54 -17.554 1.051 -5.437 444 H THR 55 H THR 55 -13.014 -2.642 -3.625 445 HA THR 55 HA THR 55 -11.748 -3.092 -0.981 446 HB THR 55 HB THR 55 -13.065 -4.824 -0.347 447 HG1 THR 55 HG1 THR 55 -14.656 -5.676 -1.865 448 HG21 THR 55 1HG2 THR 55 -14.389 -2.696 -0.271 449 HG22 THR 55 2HG2 THR 55 -15.378 -4.155 -0.398 450 HG23 THR 55 3HG2 THR 55 -15.121 -3.137 -1.833 451 H LEU 56 H LEU 56 -10.772 -5.251 -0.654 452 HA LEU 56 HA LEU 56 -8.749 -5.830 -2.569 453 HB2 LEU 56 HB2 LEU 56 -10.046 -7.500 -0.384 454 HB3 LEU 56 HB3 LEU 56 -8.616 -8.036 -1.258 455 HG LEU 56 HG LEU 56 -8.728 -5.488 0.426 456 HD11 LEU 56 1HD1 LEU 56 -7.403 -8.162 1.026 457 HD12 LEU 56 2HD1 LEU 56 -8.925 -7.595 1.751 458 HD13 LEU 56 3HD1 LEU 56 -7.431 -6.714 2.061 459 HD21 LEU 56 3HD2 LEU 56 -6.204 -5.686 0.226 460 HD22 LEU 56 1HD2 LEU 56 -7.016 -5.290 -1.289 461 HD23 LEU 56 2HD2 LEU 56 -6.451 -6.950 -0.984 462 H SER 57 H SER 57 -11.708 -7.776 -1.933 463 HA SER 57 HA SER 57 -11.326 -9.599 -4.063 464 HB2 SER 57 HB2 SER 57 -12.784 -9.896 -2.095 465 HB3 SER 57 HB3 SER 57 -13.920 -8.705 -2.750 466 HG SER 57 HG SER 57 -14.420 -10.940 -3.107 467 H ASP 58 H ASP 58 -12.711 -6.364 -4.179 468 HA ASP 58 HA ASP 58 -13.978 -6.606 -6.811 469 HB2 ASP 58 HB2 ASP 58 -14.641 -5.025 -4.978 470 HB3 ASP 58 HB3 ASP 58 -13.123 -4.167 -5.207 471 H TYR 59 H TYR 59 -10.767 -5.608 -5.604 472 HA TYR 59 HA TYR 59 -9.720 -5.236 -8.311 473 HB2 TYR 59 HB2 TYR 59 -8.556 -4.912 -5.582 474 HB3 TYR 59 HB3 TYR 59 -7.477 -5.178 -6.923 475 HD1 TYR 59 HD2 TYR 59 -7.665 -3.688 -9.000 476 HD2 TYR 59 HD1 TYR 59 -9.185 -2.656 -5.114 477 HE1 TYR 59 HE2 TYR 59 -7.327 -1.270 -9.519 478 HE2 TYR 59 HE1 TYR 59 -8.795 -0.222 -5.623 479 HH TYR 59 HH TYR 59 -7.484 0.861 -8.738 480 H ASN 60 H ASN 60 -10.759 -7.951 -7.170 481 HA ASN 60 HA ASN 60 -10.362 -10.136 -7.346 482 HB2 ASN 60 HB2 ASN 60 -8.427 -9.347 -9.545 483 HB3 ASN 60 HB3 ASN 60 -8.882 -10.998 -9.186 484 HD21 ASN 60 1HD2 ASN 60 -10.905 -11.796 -9.871 485 HD22 ASN 60 2HD2 ASN 60 -11.939 -10.835 -10.909 486 H ILE 61 H ILE 61 -8.587 -8.468 -5.477 487 HA ILE 61 HA ILE 61 -6.142 -10.037 -5.221 488 HB ILE 61 HB ILE 61 -7.268 -8.041 -3.242 489 HG12 ILE 61 2HG1 ILE 61 -5.556 -7.530 -5.696 490 HG13 ILE 61 3HG1 ILE 61 -7.171 -6.930 -5.384 491 HG21 ILE 61 1HG2 ILE 61 -5.422 -9.508 -2.409 492 HG22 ILE 61 2HG2 ILE 61 -4.420 -9.008 -3.793 493 HG23 ILE 61 3HG2 ILE 61 -4.890 -7.842 -2.540 494 HD11 ILE 61 3HD1 ILE 61 -4.658 -6.070 -3.925 495 HD12 ILE 61 1HD1 ILE 61 -5.630 -5.136 -5.065 496 HD13 ILE 61 2HD1 ILE 61 -6.315 -5.570 -3.493 497 H GLN 62 H GLN 62 -5.787 -11.748 -3.983 498 HA GLN 62 HA GLN 62 -7.975 -12.820 -2.230 499 HB2 GLN 62 HB2 GLN 62 -6.245 -14.171 -4.325 500 HB3 GLN 62 HB3 GLN 62 -7.180 -15.082 -3.144 501 HG2 GLN 62 HG2 GLN 62 -9.238 -14.511 -4.065 502 HG3 GLN 62 HG3 GLN 62 -8.657 -13.005 -4.761 503 HE21 GLN 62 1HE2 GLN 62 -7.650 -13.001 -6.860 504 HE22 GLN 62 2HE2 GLN 62 -7.621 -14.481 -7.820 505 H LYS 63 H LYS 63 -7.104 -14.717 -0.820 506 HA LYS 63 HA LYS 63 -5.139 -13.745 1.013 507 HB2 LYS 63 HB2 LYS 63 -5.493 -15.812 2.200 508 HB3 LYS 63 HB3 LYS 63 -7.014 -15.424 1.417 509 HG2 LYS 63 HG2 LYS 63 -6.314 -16.884 -0.568 510 HG3 LYS 63 HG3 LYS 63 -4.994 -17.489 0.440 511 HD2 LYS 63 HD2 LYS 63 -6.556 -18.481 1.999 512 HD3 LYS 63 HD3 LYS 63 -7.931 -17.652 1.229 513 HE2 LYS 63 HE2 LYS 63 -7.500 -18.869 -0.885 514 HE3 LYS 63 HE3 LYS 63 -6.144 -19.725 -0.129 515 HZ1 LYS 63 HZ1 LYS 63 -8.949 -19.861 0.813 516 HZ2 LYS 63 HZ2 LYS 63 -7.663 -20.775 1.368 517 HZ3 LYS 63 HZ3 LYS 63 -8.260 -20.997 -0.130 518 H GLU 64 H GLU 64 -3.021 -14.291 1.410 519 HA GLU 64 HA GLU 64 -0.858 -14.500 0.893 520 HB2 GLU 64 HB2 GLU 64 -1.645 -16.971 -0.681 521 HB3 GLU 64 HB3 GLU 64 -0.017 -16.496 -0.208 522 HG2 GLU 64 HG2 GLU 64 -0.841 -16.479 2.211 523 HG3 GLU 64 HG3 GLU 64 -2.278 -17.311 1.631 524 H SER 65 H SER 65 -2.690 -12.994 -1.189 525 HA SER 65 HA SER 65 -1.335 -13.052 -3.659 526 HB2 SER 65 HB2 SER 65 -2.748 -10.734 -2.296 527 HB3 SER 65 HB3 SER 65 -2.101 -10.662 -3.948 528 HG SER 65 HG SER 65 -4.109 -12.317 -2.901 529 H THR 66 H THR 66 0.531 -12.368 -4.432 530 HA THR 66 HA THR 66 2.344 -10.788 -2.857 531 HB THR 66 HB THR 66 3.061 -11.455 -5.668 532 HG1 THR 66 HG1 THR 66 3.799 -13.490 -4.644 533 HG21 THR 66 1HG2 THR 66 4.550 -11.660 -3.020 534 HG22 THR 66 2HG2 THR 66 4.649 -10.291 -4.152 535 HG23 THR 66 3HG2 THR 66 5.234 -11.889 -4.644 536 H LEU 67 H LEU 67 1.304 -8.806 -2.550 537 HA LEU 67 HA LEU 67 0.955 -6.993 -4.831 538 HB2 LEU 67 HB2 LEU 67 1.189 -6.337 -1.864 539 HB3 LEU 67 HB3 LEU 67 0.786 -5.237 -3.168 540 HG LEU 67 HG LEU 67 -1.114 -7.153 -3.619 541 HD11 LEU 67 1HD1 LEU 67 -2.144 -7.761 -1.456 542 HD12 LEU 67 2HD1 LEU 67 -0.753 -7.055 -0.592 543 HD13 LEU 67 3HD1 LEU 67 -0.535 -8.476 -1.617 544 HD21 LEU 67 3HD2 LEU 67 -1.462 -4.700 -3.366 545 HD22 LEU 67 1HD2 LEU 67 -1.365 -4.887 -1.600 546 HD23 LEU 67 2HD2 LEU 67 -2.692 -5.643 -2.508 547 H HIS 68 H HIS 68 2.363 -5.325 -5.430 548 HA HIS 68 HA HIS 68 5.248 -5.609 -4.665 549 HB2 HIS 68 HB2 HIS 68 4.073 -4.689 -7.299 550 HB3 HIS 68 HB3 HIS 68 5.757 -4.715 -6.879 551 HD1 HIS 68 HD1 HIS 68 3.365 -7.830 -6.598 552 HD2 HIS 68 HD2 HIS 68 6.944 -6.434 -8.326 553 HE1 HIS 68 HE1 HIS 68 4.375 -9.789 -7.838 554 H LEU 69 H LEU 69 6.471 -3.881 -4.842 555 HA LEU 69 HA LEU 69 4.907 -1.431 -4.293 556 HB2 LEU 69 HB2 LEU 69 5.877 -2.500 -2.267 557 HB3 LEU 69 HB3 LEU 69 7.463 -2.271 -2.978 558 HG LEU 69 HG LEU 69 7.278 0.133 -2.781 559 HD11 LEU 69 1HD1 LEU 69 4.892 0.466 -3.070 560 HD12 LEU 69 2HD1 LEU 69 5.293 1.046 -1.458 561 HD13 LEU 69 3HD1 LEU 69 4.521 -0.528 -1.649 562 HD21 LEU 69 3HD2 LEU 69 7.289 0.280 -0.333 563 HD22 LEU 69 1HD2 LEU 69 8.172 -1.148 -0.899 564 HD23 LEU 69 2HD2 LEU 69 6.536 -1.323 -0.224 565 H VAL 70 H VAL 70 5.627 0.479 -4.989 566 HA VAL 70 HA VAL 70 8.433 0.475 -5.932 567 HB VAL 70 HB VAL 70 6.993 2.952 -6.660 568 HG11 VAL 70 1HG1 VAL 70 8.807 1.057 -8.203 569 HG12 VAL 70 2HG1 VAL 70 8.385 2.705 -8.655 570 HG13 VAL 70 3HG1 VAL 70 9.425 2.430 -7.275 571 HG21 VAL 70 3HG2 VAL 70 6.084 2.097 -8.756 572 HG22 VAL 70 1HG2 VAL 70 6.289 0.432 -8.170 573 HG23 VAL 70 2HG2 VAL 70 5.204 1.571 -7.323 574 H LEU 71 H LEU 71 9.645 2.335 -5.615 575 HA LEU 71 HA LEU 71 8.957 3.987 -3.336 576 HB2 LEU 71 HB2 LEU 71 11.332 3.389 -4.689 577 HB3 LEU 71 HB3 LEU 71 11.079 5.024 -5.089 578 HG LEU 71 HG LEU 71 10.644 4.529 -2.199 579 HD11 LEU 71 1HD1 LEU 71 13.379 3.878 -3.346 580 HD12 LEU 71 2HD1 LEU 71 12.268 2.723 -2.576 581 HD13 LEU 71 3HD1 LEU 71 12.973 4.040 -1.627 582 HD21 LEU 71 3HD2 LEU 71 12.305 6.333 -1.948 583 HD22 LEU 71 1HD2 LEU 71 11.071 6.794 -3.122 584 HD23 LEU 71 2HD2 LEU 71 12.664 6.261 -3.686 585 H ARG 72 H ARG 72 9.085 6.260 -3.422 586 HA ARG 72 HA ARG 72 7.778 7.660 -5.592 587 HB2 ARG 72 HB2 ARG 72 9.325 8.559 -3.134 588 HB3 ARG 72 HB3 ARG 72 9.001 9.682 -4.440 589 HG2 ARG 72 HG2 ARG 72 6.510 8.899 -4.226 590 HG3 ARG 72 HG3 ARG 72 6.993 8.359 -2.621 591 HD2 ARG 72 HD2 ARG 72 7.322 11.186 -3.740 592 HD3 ARG 72 HD3 ARG 72 5.986 10.662 -2.718 593 HE ARG 72 HE ARG 72 7.626 10.239 -0.896 594 HH11 ARG 72 1HH1 ARG 72 8.165 12.923 -3.093 595 HH12 ARG 72 2HH1 ARG 72 9.297 13.643 -1.993 596 HH21 ARG 72 1HH2 ARG 72 8.804 11.299 0.454 597 HH22 ARG 72 2HH2 ARG 72 9.658 12.753 0.013 598 H LEU 73 H LEU 73 8.826 9.492 -6.750 599 HA LEU 73 HA LEU 73 11.560 9.020 -7.734 600 HB2 LEU 73 HB2 LEU 73 10.125 7.475 -9.044 601 HB3 LEU 73 HB3 LEU 73 9.048 8.808 -9.446 602 HG LEU 73 HG LEU 73 10.882 9.879 -10.768 603 HD11 LEU 73 1HD1 LEU 73 12.359 7.266 -10.202 604 HD12 LEU 73 2HD1 LEU 73 12.859 8.876 -9.638 605 HD13 LEU 73 3HD1 LEU 73 12.859 8.511 -11.365 606 HD21 LEU 73 3HD2 LEU 73 9.214 8.432 -11.849 607 HD22 LEU 73 1HD2 LEU 73 10.221 7.000 -11.524 608 HD23 LEU 73 2HD2 LEU 73 10.796 8.270 -12.628 609 H ARG 74 H ARG 74 12.390 10.914 -8.930 610 HA ARG 74 HA ARG 74 10.627 13.186 -9.348 611 HB2 ARG 74 HB2 ARG 74 11.761 14.832 -8.054 612 HB3 ARG 74 HB3 ARG 74 11.236 13.543 -6.987 613 HG2 ARG 74 HG2 ARG 74 13.545 12.697 -6.808 614 HG3 ARG 74 HG3 ARG 74 14.100 13.899 -7.990 615 HD2 ARG 74 HD2 ARG 74 13.364 15.736 -6.469 616 HD3 ARG 74 HD3 ARG 74 12.854 14.530 -5.277 617 HE ARG 74 HE ARG 74 15.654 14.250 -6.049 618 HH11 ARG 74 1HH1 ARG 74 13.644 16.272 -3.904 619 HH12 ARG 74 2HH1 ARG 74 14.989 16.432 -2.791 620 HH21 ARG 74 1HH2 ARG 74 17.274 14.638 -4.479 621 HH22 ARG 74 2HH2 ARG 74 16.839 15.648 -3.120 622 H GLY 75 H GLY 75 11.794 15.068 -10.297 623 HA2 GLY 75 HA2 GLY 75 14.282 14.742 -11.716 624 HA3 GLY 75 HA3 GLY 75 12.873 14.629 -12.785 625 H GLY 76 H GLY 76 13.969 16.715 -13.664 626 HA2 GLY 76 HA2 GLY 76 12.549 19.062 -12.724 627 HA3 GLY 76 HA3 GLY 76 14.285 19.147 -12.426 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -7.567 -12.559 7.301 2 H2 MET 1 H2 MET 1 -6.704 -13.283 6.105 3 H3 MET 1 H3 MET 1 -8.334 -13.452 6.162 4 HA MET 1 HA MET 1 -7.805 -11.896 4.445 5 HB2 MET 1 HB2 MET 1 -9.180 -9.999 5.153 6 HB3 MET 1 HB3 MET 1 -9.906 -11.538 5.587 7 HG2 MET 1 HG2 MET 1 -8.337 -9.805 7.550 8 HG3 MET 1 HG3 MET 1 -10.075 -9.714 7.323 9 HE1 MET 1 HE1 MET 1 -9.677 -11.386 10.861 10 HE2 MET 1 HE2 MET 1 -8.544 -10.223 10.147 11 HE3 MET 1 HE3 MET 1 -10.294 -9.988 9.958 12 H GLN 2 H GLN 2 -5.137 -12.116 5.438 13 HA GLN 2 HA GLN 2 -4.314 -9.404 6.216 14 HB2 GLN 2 HB2 GLN 2 -3.371 -11.369 7.249 15 HB3 GLN 2 HB3 GLN 2 -2.793 -11.984 5.700 16 HG2 GLN 2 HG2 GLN 2 -1.023 -10.468 5.600 17 HG3 GLN 2 HG3 GLN 2 -1.860 -9.248 6.565 18 HE21 GLN 2 1HE2 GLN 2 -1.669 -9.249 8.807 19 HE22 GLN 2 2HE2 GLN 2 -0.764 -10.498 9.674 20 H ILE 3 H ILE 3 -2.885 -8.075 5.056 21 HA ILE 3 HA ILE 3 -2.361 -8.573 2.187 22 HB ILE 3 HB ILE 3 -3.038 -6.398 1.512 23 HG12 ILE 3 2HG1 ILE 3 -3.859 -5.781 4.381 24 HG13 ILE 3 3HG1 ILE 3 -2.476 -5.095 3.526 25 HG21 ILE 3 1HG2 ILE 3 -5.379 -7.473 3.129 26 HG22 ILE 3 2HG2 ILE 3 -5.424 -6.576 1.598 27 HG23 ILE 3 3HG2 ILE 3 -4.775 -8.212 1.628 28 HD11 ILE 3 3HD1 ILE 3 -5.391 -4.611 2.836 29 HD12 ILE 3 1HD1 ILE 3 -4.239 -3.473 3.546 30 HD13 ILE 3 2HD1 ILE 3 -4.006 -4.034 1.880 31 H PHE 4 H PHE 4 -0.629 -7.168 1.358 32 HA PHE 4 HA PHE 4 1.314 -6.346 3.486 33 HB2 PHE 4 HB2 PHE 4 1.824 -7.993 0.989 34 HB3 PHE 4 HB3 PHE 4 3.058 -7.424 2.101 35 HD1 PHE 4 HD1 PHE 4 2.873 -8.220 4.609 36 HD2 PHE 4 HD2 PHE 4 0.721 -10.050 1.347 37 HE1 PHE 4 HE1 PHE 4 2.508 -10.251 5.983 38 HE2 PHE 4 HE2 PHE 4 0.334 -12.067 2.737 39 HZ PHE 4 HZ PHE 4 1.194 -12.153 5.072 40 H VAL 5 H VAL 5 2.957 -4.803 2.933 41 HA VAL 5 HA VAL 5 2.629 -3.466 0.298 42 HB VAL 5 HB VAL 5 3.607 -1.903 2.661 43 HG11 VAL 5 1HG1 VAL 5 4.148 -0.976 0.459 44 HG12 VAL 5 2HG1 VAL 5 2.440 -1.086 -0.029 45 HG13 VAL 5 3HG1 VAL 5 2.948 0.012 1.276 46 HG21 VAL 5 3HG2 VAL 5 0.732 -2.091 1.690 47 HG22 VAL 5 1HG2 VAL 5 1.345 -2.570 3.288 48 HG23 VAL 5 2HG2 VAL 5 1.364 -0.871 2.817 49 H LYS 6 H LYS 6 4.378 -2.972 -0.911 50 HA LYS 6 HA LYS 6 7.024 -4.136 -0.121 51 HB2 LYS 6 HB2 LYS 6 6.155 -5.192 -2.084 52 HB3 LYS 6 HB3 LYS 6 5.514 -3.684 -2.702 53 HG2 LYS 6 HG2 LYS 6 7.248 -4.271 -4.110 54 HG3 LYS 6 HG3 LYS 6 7.779 -2.849 -3.222 55 HD2 LYS 6 HD2 LYS 6 9.259 -4.318 -1.827 56 HD3 LYS 6 HD3 LYS 6 8.518 -5.762 -2.544 57 HE2 LYS 6 HE2 LYS 6 9.272 -4.777 -4.832 58 HE3 LYS 6 HE3 LYS 6 10.338 -3.727 -3.891 59 HZ1 LYS 6 HZ1 LYS 6 11.387 -5.787 -4.700 60 HZ2 LYS 6 HZ2 LYS 6 10.398 -6.710 -3.792 61 HZ3 LYS 6 HZ3 LYS 6 11.477 -5.706 -3.079 62 H THR 7 H THR 7 8.364 -2.605 0.681 63 HA THR 7 HA THR 7 8.151 0.181 -0.209 64 HB THR 7 HB THR 7 9.775 0.714 1.447 65 HG1 THR 7 HG1 THR 7 11.153 -0.826 2.311 66 HG21 THR 7 1HG2 THR 7 9.030 -0.237 3.521 67 HG22 THR 7 2HG2 THR 7 8.377 -1.674 2.715 68 HG23 THR 7 3HG2 THR 7 7.607 -0.088 2.475 69 H LEU 8 H LEU 8 10.162 1.407 -0.727 70 HA LEU 8 HA LEU 8 11.604 0.461 -3.026 71 HB2 LEU 8 HB2 LEU 8 12.058 2.747 -1.048 72 HB3 LEU 8 HB3 LEU 8 13.116 2.452 -2.409 73 HG LEU 8 HG LEU 8 11.640 4.251 -2.904 74 HD11 LEU 8 1HD1 LEU 8 10.805 1.858 -4.585 75 HD12 LEU 8 2HD1 LEU 8 12.337 2.751 -4.752 76 HD13 LEU 8 3HD1 LEU 8 10.796 3.565 -5.060 77 HD21 LEU 8 3HD2 LEU 8 9.239 2.401 -2.747 78 HD22 LEU 8 1HD2 LEU 8 9.279 4.125 -3.125 79 HD23 LEU 8 2HD2 LEU 8 9.685 3.599 -1.492 80 H THR 9 H THR 9 12.339 0.309 0.452 81 HA THR 9 HA THR 9 15.010 -0.845 0.056 82 HB THR 9 HB THR 9 15.031 -1.155 2.473 83 HG1 THR 9 HG1 THR 9 13.341 -0.537 3.715 84 HG21 THR 9 1HG2 THR 9 15.626 1.083 1.588 85 HG22 THR 9 2HG2 THR 9 14.928 1.152 3.213 86 HG23 THR 9 3HG2 THR 9 13.943 1.613 1.806 87 H GLY 10 H GLY 10 12.144 -2.092 -0.757 88 HA2 GLY 10 HA2 GLY 10 11.617 -4.189 -1.432 89 HA3 GLY 10 HA3 GLY 10 13.166 -4.771 -0.815 90 H LYS 11 H LYS 11 11.787 -3.402 1.849 91 HA LYS 11 HA LYS 11 11.240 -5.953 3.066 92 HB2 LYS 11 HB2 LYS 11 10.873 -3.087 3.986 93 HB3 LYS 11 HB3 LYS 11 10.412 -4.437 5.005 94 HG2 LYS 11 HG2 LYS 11 13.240 -4.140 3.897 95 HG3 LYS 11 HG3 LYS 11 12.699 -3.392 5.406 96 HD2 LYS 11 HD2 LYS 11 12.085 -5.641 6.302 97 HD3 LYS 11 HD3 LYS 11 12.768 -6.392 4.846 98 HE2 LYS 11 HE2 LYS 11 14.977 -5.424 5.336 99 HE3 LYS 11 HE3 LYS 11 14.301 -4.480 6.659 100 HZ1 LYS 11 HZ1 LYS 11 14.549 -7.458 6.658 101 HZ2 LYS 11 HZ2 LYS 11 13.837 -6.563 7.832 102 HZ3 LYS 11 HZ3 LYS 11 15.429 -6.386 7.515 103 H THR 12 H THR 12 9.481 -7.032 3.533 104 HA THR 12 HA THR 12 6.886 -6.241 2.579 105 HB THR 12 HB THR 12 7.247 -8.636 4.323 106 HG1 THR 12 HG1 THR 12 7.864 -9.746 2.409 107 HG21 THR 12 1HG2 THR 12 5.664 -8.125 1.772 108 HG22 THR 12 2HG2 THR 12 5.011 -8.068 3.427 109 HG23 THR 12 3HG2 THR 12 5.618 -9.597 2.770 110 H ILE 13 H ILE 13 5.835 -4.645 3.568 111 HA ILE 13 HA ILE 13 5.719 -4.509 6.527 112 HB ILE 13 HB ILE 13 4.159 -2.836 4.565 113 HG12 ILE 13 2HG1 ILE 13 6.457 -2.541 3.884 114 HG13 ILE 13 3HG1 ILE 13 5.858 -1.109 4.679 115 HG21 ILE 13 1HG2 ILE 13 3.323 -2.646 6.821 116 HG22 ILE 13 2HG2 ILE 13 4.957 -2.391 7.465 117 HG23 ILE 13 3HG2 ILE 13 4.200 -1.166 6.430 118 HD11 ILE 13 3HD1 ILE 13 8.167 -1.583 5.389 119 HD12 ILE 13 1HD1 ILE 13 7.093 -1.784 6.779 120 HD13 ILE 13 2HD1 ILE 13 7.714 -3.209 5.918 121 H THR 14 H THR 14 4.048 -5.174 7.740 122 HA THR 14 HA THR 14 1.844 -6.626 6.391 123 HB THR 14 HB THR 14 2.822 -7.175 9.182 124 HG1 THR 14 HG1 THR 14 4.540 -7.745 8.073 125 HG21 THR 14 1HG2 THR 14 0.652 -8.118 8.772 126 HG22 THR 14 2HG2 THR 14 1.830 -9.432 8.623 127 HG23 THR 14 3HG2 THR 14 1.131 -8.698 7.161 128 H LEU 15 H LEU 15 -0.265 -6.391 6.834 129 HA LEU 15 HA LEU 15 -1.071 -4.466 8.975 130 HB2 LEU 15 HB2 LEU 15 -1.927 -4.658 6.079 131 HB3 LEU 15 HB3 LEU 15 -2.988 -3.924 7.269 132 HG LEU 15 HG LEU 15 -0.116 -2.960 6.975 133 HD11 LEU 15 1HD1 LEU 15 -1.112 -2.801 4.747 134 HD12 LEU 15 2HD1 LEU 15 -0.949 -1.194 5.472 135 HD13 LEU 15 3HD1 LEU 15 -2.541 -1.986 5.418 136 HD21 LEU 15 3HD2 LEU 15 -1.048 -0.875 7.883 137 HD22 LEU 15 1HD2 LEU 15 -1.423 -2.214 8.972 138 HD23 LEU 15 2HD2 LEU 15 -2.681 -1.573 7.894 139 H GLU 16 H GLU 16 -3.232 -4.679 9.742 140 HA GLU 16 HA GLU 16 -4.607 -7.255 9.324 141 HB2 GLU 16 HB2 GLU 16 -3.344 -7.433 11.454 142 HB3 GLU 16 HB3 GLU 16 -4.168 -5.990 12.069 143 HG2 GLU 16 HG2 GLU 16 -6.295 -7.116 12.097 144 HG3 GLU 16 HG3 GLU 16 -5.695 -8.418 11.072 145 H VAL 17 H VAL 17 -6.651 -6.837 8.675 146 HA VAL 17 HA VAL 17 -8.006 -4.229 9.029 147 HB VAL 17 HB VAL 17 -8.090 -4.077 6.455 148 HG11 VAL 17 1HG1 VAL 17 -6.862 -2.456 7.810 149 HG12 VAL 17 2HG1 VAL 17 -5.403 -3.468 7.721 150 HG13 VAL 17 3HG1 VAL 17 -6.082 -2.749 6.246 151 HG21 VAL 17 3HG2 VAL 17 -6.283 -4.934 5.134 152 HG22 VAL 17 1HG2 VAL 17 -5.516 -5.693 6.544 153 HG23 VAL 17 2HG2 VAL 17 -7.075 -6.297 5.932 154 H GLU 18 H GLU 18 -10.105 -4.284 7.957 155 HA GLU 18 HA GLU 18 -11.267 -7.009 7.588 156 HB2 GLU 18 HB2 GLU 18 -12.542 -4.236 7.511 157 HB3 GLU 18 HB3 GLU 18 -13.341 -5.728 7.040 158 HG2 GLU 18 HG2 GLU 18 -12.756 -6.603 9.400 159 HG3 GLU 18 HG3 GLU 18 -12.422 -4.917 9.808 160 HA PRO 19 HA PRO 19 -11.025 -6.487 3.002 161 HB2 PRO 19 HB2 PRO 19 -13.221 -7.908 2.222 162 HB3 PRO 19 HB3 PRO 19 -11.724 -8.706 2.798 163 HG2 PRO 19 HG2 PRO 19 -14.231 -8.086 4.404 164 HG3 PRO 19 HG3 PRO 19 -13.359 -9.646 4.284 165 HD2 PRO 19 HD2 PRO 19 -12.943 -7.934 6.349 166 HD3 PRO 19 HD3 PRO 19 -11.587 -8.858 5.642 167 H SER 20 H SER 20 -13.718 -5.742 5.096 168 HA SER 20 HA SER 20 -15.232 -3.978 3.447 169 HB2 SER 20 HB2 SER 20 -14.966 -3.702 6.447 170 HB3 SER 20 HB3 SER 20 -16.417 -3.566 5.442 171 HG SER 20 HG SER 20 -15.722 -5.565 6.889 172 H ASP 21 H ASP 21 -12.073 -3.515 4.975 173 HA ASP 21 HA ASP 21 -12.394 -0.854 5.806 174 HB2 ASP 21 HB2 ASP 21 -9.972 -2.506 5.266 175 HB3 ASP 21 HB3 ASP 21 -9.799 -0.771 5.322 176 H THR 22 H THR 22 -12.451 1.036 5.042 177 HA THR 22 HA THR 22 -12.495 1.528 2.223 178 HB THR 22 HB THR 22 -13.075 3.666 2.539 179 HG1 THR 22 HG1 THR 22 -12.541 4.677 4.700 180 HG21 THR 22 1HG2 THR 22 -14.696 2.189 3.799 181 HG22 THR 22 2HG2 THR 22 -14.649 3.875 4.337 182 HG23 THR 22 3HG2 THR 22 -13.839 2.622 5.301 183 H ILE 23 H ILE 23 -11.089 2.679 0.894 184 HA ILE 23 HA ILE 23 -8.313 2.092 1.238 185 HB ILE 23 HB ILE 23 -9.761 4.080 -0.556 186 HG12 ILE 23 2HG1 ILE 23 -10.400 1.821 -1.099 187 HG13 ILE 23 3HG1 ILE 23 -9.348 2.443 -2.340 188 HG21 ILE 23 1HG2 ILE 23 -7.660 3.976 -1.960 189 HG22 ILE 23 2HG2 ILE 23 -7.559 4.906 -0.471 190 HG23 ILE 23 3HG2 ILE 23 -6.834 3.273 -0.548 191 HD11 ILE 23 3HD1 ILE 23 -7.444 1.110 -1.385 192 HD12 ILE 23 1HD1 ILE 23 -8.575 0.429 -0.187 193 HD13 ILE 23 2HD1 ILE 23 -8.811 0.117 -1.910 194 H GLU 24 H GLU 24 -10.208 4.854 2.320 195 HA GLU 24 HA GLU 24 -7.984 6.536 3.154 196 HB2 GLU 24 HB2 GLU 24 -10.160 7.494 2.755 197 HB3 GLU 24 HB3 GLU 24 -10.917 6.426 3.930 198 HG2 GLU 24 HG2 GLU 24 -9.685 7.476 5.774 199 HG3 GLU 24 HG3 GLU 24 -8.769 8.467 4.628 200 H ASN 25 H ASN 25 -10.077 4.125 4.849 201 HA ASN 25 HA ASN 25 -8.974 4.538 7.428 202 HB2 ASN 25 HB2 ASN 25 -11.128 3.315 6.615 203 HB3 ASN 25 HB3 ASN 25 -10.109 1.893 6.418 204 HD21 ASN 25 1HD2 ASN 25 -12.221 3.289 8.551 205 HD22 ASN 25 2HD2 ASN 25 -11.488 2.707 10.045 206 H VAL 26 H VAL 26 -8.027 2.193 4.877 207 HA VAL 26 HA VAL 26 -5.731 1.183 6.307 208 HB VAL 26 HB VAL 26 -5.996 1.337 3.311 209 HG11 VAL 26 1HG1 VAL 26 -4.511 -0.603 5.146 210 HG12 VAL 26 2HG1 VAL 26 -4.605 -0.732 3.377 211 HG13 VAL 26 3HG1 VAL 26 -3.754 0.630 4.112 212 HG21 VAL 26 3HG2 VAL 26 -8.018 0.228 4.098 213 HG22 VAL 26 1HG2 VAL 26 -6.934 -1.017 3.513 214 HG23 VAL 26 2HG2 VAL 26 -7.099 -0.745 5.257 215 H LYS 27 H LYS 27 -6.061 4.016 4.126 216 HA LYS 27 HA LYS 27 -3.300 4.814 4.190 217 HB2 LYS 27 HB2 LYS 27 -5.802 5.849 3.136 218 HB3 LYS 27 HB3 LYS 27 -5.134 7.091 4.140 219 HG2 LYS 27 HG2 LYS 27 -4.170 7.601 2.099 220 HG3 LYS 27 HG3 LYS 27 -2.902 6.698 2.933 221 HD2 LYS 27 HD2 LYS 27 -2.942 5.900 0.684 222 HD3 LYS 27 HD3 LYS 27 -3.623 4.631 1.685 223 HE2 LYS 27 HE2 LYS 27 -4.895 4.843 -0.368 224 HE3 LYS 27 HE3 LYS 27 -5.901 5.275 1.007 225 HZ1 LYS 27 HZ1 LYS 27 -5.891 6.724 -1.096 226 HZ2 LYS 27 HZ2 LYS 27 -4.539 7.402 -0.498 227 HZ3 LYS 27 HZ3 LYS 27 -5.938 7.496 0.358 228 H ALA 28 H ALA 28 -5.759 5.022 6.634 229 HA ALA 28 HA ALA 28 -4.152 6.900 8.278 230 HB1 ALA 28 HB1 ALA 28 -5.905 6.611 9.944 231 HB2 ALA 28 HB2 ALA 28 -6.622 6.968 8.362 232 HB3 ALA 28 HB3 ALA 28 -6.653 5.314 9.003 233 H LYS 29 H LYS 29 -5.200 3.479 8.607 234 HA LYS 29 HA LYS 29 -3.735 2.752 10.848 235 HB2 LYS 29 HB2 LYS 29 -4.597 1.160 8.408 236 HB3 LYS 29 HB3 LYS 29 -3.841 0.386 9.803 237 HG2 LYS 29 HG2 LYS 29 -5.598 0.977 11.277 238 HG3 LYS 29 HG3 LYS 29 -6.283 2.154 10.147 239 HD2 LYS 29 HD2 LYS 29 -7.079 0.445 8.670 240 HD3 LYS 29 HD3 LYS 29 -6.214 -0.836 9.548 241 HE2 LYS 29 HE2 LYS 29 -7.654 -0.732 11.412 242 HE3 LYS 29 HE3 LYS 29 -8.213 0.900 11.001 243 HZ1 LYS 29 HZ1 LYS 29 -9.514 0.068 9.233 244 HZ2 LYS 29 HZ2 LYS 29 -9.891 -0.835 10.506 245 HZ3 LYS 29 HZ3 LYS 29 -8.968 -1.444 9.294 246 H ILE 30 H ILE 30 -2.375 2.927 7.580 247 HA ILE 30 HA ILE 30 0.064 1.582 8.185 248 HB ILE 30 HB ILE 30 -0.896 2.197 5.901 249 HG12 ILE 30 2HG1 ILE 30 2.061 2.801 6.340 250 HG13 ILE 30 3HG1 ILE 30 1.362 1.183 6.386 251 HG21 ILE 30 1HG2 ILE 30 -0.331 4.264 4.842 252 HG22 ILE 30 2HG2 ILE 30 -1.174 4.650 6.342 253 HG23 ILE 30 3HG2 ILE 30 0.594 4.816 6.247 254 HD11 ILE 30 3HD1 ILE 30 2.348 1.513 4.219 255 HD12 ILE 30 1HD1 ILE 30 0.585 1.448 4.030 256 HD13 ILE 30 2HD1 ILE 30 1.440 3.009 3.961 257 H GLN 31 H GLN 31 -0.850 4.933 8.956 258 HA GLN 31 HA GLN 31 1.942 5.736 9.391 259 HB2 GLN 31 HB2 GLN 31 -0.720 7.134 9.751 260 HB3 GLN 31 HB3 GLN 31 0.775 7.804 10.384 261 HG2 GLN 31 HG2 GLN 31 1.277 8.686 8.402 262 HG3 GLN 31 HG3 GLN 31 1.424 7.072 7.728 263 HE21 GLN 31 1HE2 GLN 31 0.324 7.024 5.789 264 HE22 GLN 31 2HE2 GLN 31 -1.335 7.620 5.640 265 H ASP 32 H ASP 32 -0.636 4.482 11.429 266 HA ASP 32 HA ASP 32 0.789 4.998 13.938 267 HB2 ASP 32 HB2 ASP 32 -1.706 4.580 13.627 268 HB3 ASP 32 HB3 ASP 32 -1.333 2.890 13.289 269 H LYS 33 H LYS 33 0.476 2.202 11.700 270 HA LYS 33 HA LYS 33 1.977 0.485 13.439 271 HB2 LYS 33 HB2 LYS 33 0.122 0.142 11.386 272 HB3 LYS 33 HB3 LYS 33 1.606 -0.484 10.653 273 HG2 LYS 33 HG2 LYS 33 1.919 -2.020 12.546 274 HG3 LYS 33 HG3 LYS 33 0.572 -1.255 13.411 275 HD2 LYS 33 HD2 LYS 33 -1.036 -2.045 11.751 276 HD3 LYS 33 HD3 LYS 33 0.277 -2.726 10.774 277 HE2 LYS 33 HE2 LYS 33 -0.823 -4.504 12.041 278 HE3 LYS 33 HE3 LYS 33 0.853 -4.313 12.541 279 HZ1 LYS 33 HZ1 LYS 33 -0.576 -4.609 14.411 280 HZ2 LYS 33 HZ2 LYS 33 -1.494 -3.292 14.057 281 HZ3 LYS 33 HZ3 LYS 33 0.078 -3.110 14.516 282 H GLU 34 H GLU 34 3.028 2.168 10.503 283 HA GLU 34 HA GLU 34 5.828 1.468 11.244 284 HB2 GLU 34 HB2 GLU 34 5.040 -0.077 9.464 285 HB3 GLU 34 HB3 GLU 34 4.635 1.311 8.464 286 HG2 GLU 34 HG2 GLU 34 6.648 0.366 7.688 287 HG3 GLU 34 HG3 GLU 34 7.021 1.949 8.315 288 H GLY 35 H GLY 35 3.609 3.856 9.902 289 HA2 GLY 35 HA2 GLY 35 3.980 6.175 10.180 290 HA3 GLY 35 HA3 GLY 35 5.705 5.898 10.365 291 H ILE 36 H ILE 36 3.554 4.942 7.640 292 HA ILE 36 HA ILE 36 5.289 6.471 5.764 293 HB ILE 36 HB ILE 36 3.101 4.493 5.100 294 HG12 ILE 36 2HG1 ILE 36 4.704 3.261 6.432 295 HG13 ILE 36 3HG1 ILE 36 4.804 2.790 4.749 296 HG21 ILE 36 1HG2 ILE 36 5.413 5.604 3.460 297 HG22 ILE 36 2HG2 ILE 36 4.317 4.305 2.943 298 HG23 ILE 36 3HG2 ILE 36 3.682 5.926 3.219 299 HD11 ILE 36 3HD1 ILE 36 7.028 2.941 5.783 300 HD12 ILE 36 1HD1 ILE 36 6.879 4.112 4.465 301 HD13 ILE 36 2HD1 ILE 36 6.771 4.652 6.159 302 HA PRO 37 HA PRO 37 1.662 9.363 5.757 303 HB2 PRO 37 HB2 PRO 37 2.948 11.753 5.799 304 HB3 PRO 37 HB3 PRO 37 2.818 10.722 7.266 305 HG2 PRO 37 HG2 PRO 37 5.128 10.862 5.282 306 HG3 PRO 37 HG3 PRO 37 5.198 11.045 7.066 307 HD2 PRO 37 HD2 PRO 37 5.686 8.647 5.890 308 HD3 PRO 37 HD3 PRO 37 4.772 8.781 7.424 309 HA PRO 38 HA PRO 38 1.406 10.007 1.438 310 HB2 PRO 38 HB2 PRO 38 -0.061 12.318 1.090 311 HB3 PRO 38 HB3 PRO 38 -0.734 10.766 1.698 312 HG2 PRO 38 HG2 PRO 38 0.238 13.136 3.332 313 HG3 PRO 38 HG3 PRO 38 -1.314 12.250 3.478 314 HD2 PRO 38 HD2 PRO 38 0.757 11.660 5.103 315 HD3 PRO 38 HD3 PRO 38 -0.231 10.347 4.406 316 H ASP 39 H ASP 39 2.490 13.027 3.068 317 HA ASP 39 HA ASP 39 3.861 13.974 0.706 318 HB2 ASP 39 HB2 ASP 39 3.765 14.977 3.506 319 HB3 ASP 39 HB3 ASP 39 5.116 15.468 2.494 320 H GLN 40 H GLN 40 4.771 11.356 2.512 321 HA GLN 40 HA GLN 40 7.579 11.651 1.519 322 HB2 GLN 40 HB2 GLN 40 7.183 11.050 3.978 323 HB3 GLN 40 HB3 GLN 40 6.501 9.543 3.389 324 HG2 GLN 40 HG2 GLN 40 8.637 8.841 3.777 325 HG3 GLN 40 HG3 GLN 40 8.835 9.348 2.090 326 HE21 GLN 40 1HE2 GLN 40 8.872 12.354 3.022 327 HE22 GLN 40 2HE2 GLN 40 10.515 12.442 3.639 328 H ASN 41 H ASN 41 4.627 9.591 1.300 329 HA ASN 41 HA ASN 41 5.639 8.297 -1.134 330 HB2 ASN 41 HB2 ASN 41 5.333 7.018 1.540 331 HB3 ASN 41 HB3 ASN 41 5.213 6.044 0.100 332 HD21 ASN 41 1HD2 ASN 41 7.314 7.446 2.437 333 HD22 ASN 41 2HD2 ASN 41 8.750 6.688 1.750 334 H ARG 42 H ARG 42 4.079 6.552 -1.985 335 HA ARG 42 HA ARG 42 1.244 7.101 -1.343 336 HB2 ARG 42 HB2 ARG 42 2.549 8.519 -3.412 337 HB3 ARG 42 HB3 ARG 42 1.725 7.212 -4.262 338 HG2 ARG 42 HG2 ARG 42 -0.415 7.878 -3.146 339 HG3 ARG 42 HG3 ARG 42 0.446 9.181 -2.309 340 HD2 ARG 42 HD2 ARG 42 1.071 10.138 -4.533 341 HD3 ARG 42 HD3 ARG 42 0.083 8.900 -5.326 342 HE ARG 42 HE ARG 42 -1.725 10.019 -3.616 343 HH11 ARG 42 1HH1 ARG 42 0.365 11.565 -5.985 344 HH12 ARG 42 2HH1 ARG 42 -0.610 13.021 -5.975 345 HH21 ARG 42 1HH2 ARG 42 -2.945 11.917 -3.755 346 HH22 ARG 42 2HH2 ARG 42 -2.473 13.128 -4.896 347 H LEU 43 H LEU 43 0.070 5.289 -1.463 348 HA LEU 43 HA LEU 43 1.333 2.752 -1.995 349 HB2 LEU 43 HB2 LEU 43 -1.518 3.608 -1.331 350 HB3 LEU 43 HB3 LEU 43 -1.110 1.941 -1.667 351 HG LEU 43 HG LEU 43 -1.307 2.367 0.705 352 HD11 LEU 43 1HD1 LEU 43 1.543 1.650 -0.076 353 HD12 LEU 43 2HD1 LEU 43 0.152 0.552 -0.099 354 HD13 LEU 43 3HD1 LEU 43 0.715 1.230 1.436 355 HD21 LEU 43 3HD2 LEU 43 0.270 3.635 1.990 356 HD22 LEU 43 1HD2 LEU 43 -0.439 4.705 0.777 357 HD23 LEU 43 2HD2 LEU 43 1.211 4.062 0.555 358 H ILE 44 H ILE 44 1.562 1.688 -3.826 359 HA ILE 44 HA ILE 44 -0.432 2.147 -6.057 360 HB ILE 44 HB ILE 44 2.321 0.893 -6.212 361 HG12 ILE 44 2HG1 ILE 44 2.619 3.209 -5.725 362 HG13 ILE 44 3HG1 ILE 44 3.042 2.905 -7.396 363 HG21 ILE 44 1HG2 ILE 44 0.318 1.598 -8.395 364 HG22 ILE 44 2HG2 ILE 44 2.025 1.230 -8.697 365 HG23 ILE 44 3HG2 ILE 44 0.986 -0.005 -8.000 366 HD11 ILE 44 3HD1 ILE 44 0.878 3.889 -8.149 367 HD12 ILE 44 1HD1 ILE 44 0.460 4.235 -6.454 368 HD13 ILE 44 2HD1 ILE 44 1.852 5.026 -7.205 369 H PHE 45 H PHE 45 -1.587 0.439 -6.994 370 HA PHE 45 HA PHE 45 -0.654 -2.250 -6.364 371 HB2 PHE 45 HB2 PHE 45 -2.196 -2.180 -4.650 372 HB3 PHE 45 HB3 PHE 45 -3.412 -1.416 -5.650 373 HD1 PHE 45 HD1 PHE 45 -1.690 -4.628 -4.958 374 HD2 PHE 45 HD2 PHE 45 -4.932 -2.682 -7.044 375 HE1 PHE 45 HE1 PHE 45 -2.735 -6.831 -5.398 376 HE2 PHE 45 HE2 PHE 45 -5.980 -4.888 -7.463 377 HZ PHE 45 HZ PHE 45 -4.900 -6.962 -6.632 378 H ALA 46 H ALA 46 -0.743 -3.742 -7.926 379 HA ALA 46 HA ALA 46 -0.535 -4.464 -10.033 380 HB1 ALA 46 HB1 ALA 46 -2.640 -4.695 -11.222 381 HB2 ALA 46 HB2 ALA 46 -2.887 -4.917 -9.482 382 HB3 ALA 46 HB3 ALA 46 -3.364 -3.391 -10.260 383 H GLY 47 H GLY 47 -0.452 -1.146 -9.857 384 HA2 GLY 47 HA2 GLY 47 0.829 0.105 -11.602 385 HA3 GLY 47 HA3 GLY 47 -0.116 -0.752 -12.823 386 H LYS 48 H LYS 48 -1.811 0.285 -9.916 387 HA LYS 48 HA LYS 48 -2.607 2.884 -11.096 388 HB2 LYS 48 HB2 LYS 48 -4.164 0.718 -11.522 389 HB3 LYS 48 HB3 LYS 48 -4.785 1.142 -9.938 390 HG2 LYS 48 HG2 LYS 48 -5.497 3.338 -10.737 391 HG3 LYS 48 HG3 LYS 48 -4.549 3.146 -12.225 392 HD2 LYS 48 HD2 LYS 48 -6.017 1.150 -12.804 393 HD3 LYS 48 HD3 LYS 48 -7.091 1.628 -11.494 394 HE2 LYS 48 HE2 LYS 48 -6.246 3.496 -13.757 395 HE3 LYS 48 HE3 LYS 48 -7.630 2.416 -13.905 396 HZ1 LYS 48 HZ1 LYS 48 -8.788 3.539 -12.265 397 HZ2 LYS 48 HZ2 LYS 48 -8.077 4.751 -13.141 398 HZ3 LYS 48 HZ3 LYS 48 -7.459 4.358 -11.702 399 H GLN 49 H GLN 49 -3.315 4.397 -9.653 400 HA GLN 49 HA GLN 49 -2.301 4.217 -6.933 401 HB2 GLN 49 HB2 GLN 49 -3.905 6.453 -8.268 402 HB3 GLN 49 HB3 GLN 49 -2.952 6.555 -6.794 403 HG2 GLN 49 HG2 GLN 49 -1.438 7.469 -8.192 404 HG3 GLN 49 HG3 GLN 49 -0.953 5.799 -8.421 405 HE21 GLN 49 1HE2 GLN 49 -1.411 8.573 -10.104 406 HE22 GLN 49 2HE2 GLN 49 -1.893 7.869 -11.654 407 H LEU 50 H LEU 50 -3.519 4.693 -5.020 408 HA LEU 50 HA LEU 50 -6.296 3.598 -5.052 409 HB2 LEU 50 HB2 LEU 50 -4.166 3.432 -2.900 410 HB3 LEU 50 HB3 LEU 50 -5.795 2.758 -2.817 411 HG LEU 50 HG LEU 50 -3.578 1.873 -4.721 412 HD11 LEU 50 1HD1 LEU 50 -3.673 -0.197 -3.422 413 HD12 LEU 50 2HD1 LEU 50 -4.949 0.471 -2.387 414 HD13 LEU 50 3HD1 LEU 50 -3.315 1.175 -2.362 415 HD21 LEU 50 3HD2 LEU 50 -5.172 0.004 -5.279 416 HD22 LEU 50 1HD2 LEU 50 -5.706 1.571 -5.864 417 HD23 LEU 50 2HD2 LEU 50 -6.445 0.873 -4.403 418 H GLU 51 H GLU 51 -7.568 5.394 -5.148 419 HA GLU 51 HA GLU 51 -7.102 7.608 -3.236 420 HB2 GLU 51 HB2 GLU 51 -7.405 7.999 -5.704 421 HB3 GLU 51 HB3 GLU 51 -9.114 7.542 -5.496 422 HG2 GLU 51 HG2 GLU 51 -9.383 9.348 -3.814 423 HG3 GLU 51 HG3 GLU 51 -7.672 9.745 -3.951 424 H ASP 52 H ASP 52 -8.792 8.445 -2.003 425 HA ASP 52 HA ASP 52 -10.305 6.682 -0.431 426 HB2 ASP 52 HB2 ASP 52 -11.403 8.992 0.265 427 HB3 ASP 52 HB3 ASP 52 -9.795 8.481 0.742 428 H GLY 53 H GLY 53 -12.633 7.034 0.140 429 HA2 GLY 53 HA2 GLY 53 -14.877 6.877 -0.408 430 HA3 GLY 53 HA3 GLY 53 -14.501 7.394 -2.054 431 H ARG 54 H ARG 54 -12.476 4.932 -2.059 432 HA ARG 54 HA ARG 54 -14.472 2.804 -2.651 433 HB2 ARG 54 HB2 ARG 54 -11.510 3.090 -3.311 434 HB3 ARG 54 HB3 ARG 54 -12.483 1.666 -3.664 435 HG2 ARG 54 HG2 ARG 54 -12.825 2.595 -5.616 436 HG3 ARG 54 HG3 ARG 54 -14.084 3.519 -4.820 437 HD2 ARG 54 HD2 ARG 54 -12.505 5.423 -4.555 438 HD3 ARG 54 HD3 ARG 54 -11.224 4.488 -5.319 439 HE ARG 54 HE ARG 54 -13.331 5.937 -6.627 440 HH11 ARG 54 1HH1 ARG 54 -11.470 3.013 -7.138 441 HH12 ARG 54 2HH1 ARG 54 -11.953 2.892 -8.803 442 HH21 ARG 54 1HH2 ARG 54 -13.879 5.717 -8.779 443 HH22 ARG 54 2HH2 ARG 54 -13.183 4.424 -9.712 444 H THR 55 H THR 55 -13.801 0.571 -2.117 445 HA THR 55 HA THR 55 -12.335 0.301 0.449 446 HB THR 55 HB THR 55 -13.494 -1.504 1.185 447 HG1 THR 55 HG1 THR 55 -14.957 -2.627 -0.116 448 HG21 THR 55 1HG2 THR 55 -15.842 -0.992 1.243 449 HG22 THR 55 2HG2 THR 55 -15.733 0.004 -0.226 450 HG23 THR 55 3HG2 THR 55 -14.951 0.533 1.286 451 H LEU 56 H LEU 56 -11.232 -1.853 0.737 452 HA LEU 56 HA LEU 56 -9.222 -2.312 -1.206 453 HB2 LEU 56 HB2 LEU 56 -10.506 -4.111 0.874 454 HB3 LEU 56 HB3 LEU 56 -9.059 -4.582 -0.011 455 HG LEU 56 HG LEU 56 -9.213 -2.146 1.824 456 HD11 LEU 56 1HD1 LEU 56 -7.870 -3.496 3.370 457 HD12 LEU 56 2HD1 LEU 56 -7.928 -4.881 2.250 458 HD13 LEU 56 3HD1 LEU 56 -9.407 -4.290 3.036 459 HD21 LEU 56 3HD2 LEU 56 -6.701 -2.275 1.642 460 HD22 LEU 56 1HD2 LEU 56 -7.492 -1.829 0.130 461 HD23 LEU 56 2HD2 LEU 56 -6.892 -3.489 0.367 462 H SER 57 H SER 57 -12.180 -4.282 -0.679 463 HA SER 57 HA SER 57 -11.791 -6.062 -2.841 464 HB2 SER 57 HB2 SER 57 -13.369 -6.386 -0.959 465 HB3 SER 57 HB3 SER 57 -14.416 -5.115 -1.626 466 HG SER 57 HG SER 57 -15.121 -7.172 -2.289 467 H ASP 58 H ASP 58 -13.152 -2.792 -2.913 468 HA ASP 58 HA ASP 58 -14.331 -3.051 -5.586 469 HB2 ASP 58 HB2 ASP 58 -15.156 -1.438 -3.918 470 HB3 ASP 58 HB3 ASP 58 -13.615 -0.584 -3.965 471 H TYR 59 H TYR 59 -11.145 -2.149 -4.367 472 HA TYR 59 HA TYR 59 -10.105 -1.750 -7.075 473 HB2 TYR 59 HB2 TYR 59 -8.917 -1.446 -4.369 474 HB3 TYR 59 HB3 TYR 59 -7.855 -1.752 -5.721 475 HD1 TYR 59 HD2 TYR 59 -7.822 -0.275 -7.714 476 HD2 TYR 59 HD1 TYR 59 -9.828 0.790 -4.055 477 HE1 TYR 59 HE2 TYR 59 -7.514 2.138 -8.258 478 HE2 TYR 59 HE1 TYR 59 -9.477 3.224 -4.583 479 HH TYR 59 HH TYR 59 -7.371 4.210 -7.188 480 H ASN 60 H ASN 60 -11.275 -4.388 -5.998 481 HA ASN 60 HA ASN 60 -11.037 -6.576 -6.232 482 HB2 ASN 60 HB2 ASN 60 -8.873 -6.086 -8.298 483 HB3 ASN 60 HB3 ASN 60 -9.861 -7.530 -8.108 484 HD21 ASN 60 1HD2 ASN 60 -12.487 -6.797 -8.138 485 HD22 ASN 60 2HD2 ASN 60 -12.770 -5.748 -9.510 486 H ILE 61 H ILE 61 -9.106 -5.070 -4.328 487 HA ILE 61 HA ILE 61 -6.719 -6.704 -4.210 488 HB ILE 61 HB ILE 61 -7.879 -4.905 -2.057 489 HG12 ILE 61 2HG1 ILE 61 -5.998 -4.217 -4.351 490 HG13 ILE 61 3HG1 ILE 61 -7.636 -3.634 -4.142 491 HG21 ILE 61 1HG2 ILE 61 -5.011 -5.824 -2.552 492 HG22 ILE 61 2HG2 ILE 61 -5.572 -4.810 -1.207 493 HG23 ILE 61 3HG2 ILE 61 -6.086 -6.485 -1.295 494 HD11 ILE 61 3HD1 ILE 61 -5.273 -2.898 -2.393 495 HD12 ILE 61 1HD1 ILE 61 -6.128 -1.879 -3.557 496 HD13 ILE 61 2HD1 ILE 61 -6.966 -2.420 -2.094 497 H GLN 62 H GLN 62 -6.358 -8.596 -3.151 498 HA GLN 62 HA GLN 62 -8.658 -9.864 -1.719 499 HB2 GLN 62 HB2 GLN 62 -6.425 -11.167 -3.331 500 HB3 GLN 62 HB3 GLN 62 -7.767 -12.000 -2.554 501 HG2 GLN 62 HG2 GLN 62 -7.906 -10.134 -4.932 502 HG3 GLN 62 HG3 GLN 62 -8.209 -11.860 -4.910 503 HE21 GLN 62 1HE2 GLN 62 -9.786 -9.076 -5.250 504 HE22 GLN 62 2HE2 GLN 62 -11.329 -9.493 -4.488 505 H LYS 63 H LYS 63 -7.840 -11.813 -0.419 506 HA LYS 63 HA LYS 63 -5.895 -11.135 1.632 507 HB2 LYS 63 HB2 LYS 63 -6.199 -13.429 2.375 508 HB3 LYS 63 HB3 LYS 63 -7.766 -12.735 1.969 509 HG2 LYS 63 HG2 LYS 63 -7.441 -13.942 -0.357 510 HG3 LYS 63 HG3 LYS 63 -6.191 -14.860 0.490 511 HD2 LYS 63 HD2 LYS 63 -8.012 -15.411 2.246 512 HD3 LYS 63 HD3 LYS 63 -9.176 -14.713 1.099 513 HE2 LYS 63 HE2 LYS 63 -8.290 -16.384 -0.631 514 HE3 LYS 63 HE3 LYS 63 -7.342 -17.108 0.671 515 HZ1 LYS 63 HZ1 LYS 63 -10.188 -17.337 0.170 516 HZ2 LYS 63 HZ2 LYS 63 -9.777 -17.143 1.777 517 HZ3 LYS 63 HZ3 LYS 63 -9.159 -18.369 0.920 518 H GLU 64 H GLU 64 -3.773 -11.662 1.773 519 HA GLU 64 HA GLU 64 -1.645 -12.163 1.194 520 HB2 GLU 64 HB2 GLU 64 -2.676 -14.381 0.351 521 HB3 GLU 64 HB3 GLU 64 -2.533 -13.684 -1.247 522 HG2 GLU 64 HG2 GLU 64 -0.038 -13.427 -0.855 523 HG3 GLU 64 HG3 GLU 64 -0.278 -14.320 0.675 524 H SER 65 H SER 65 -3.699 -10.333 -0.902 525 HA SER 65 HA SER 65 -1.992 -9.776 -3.018 526 HB2 SER 65 HB2 SER 65 -4.081 -8.033 -1.697 527 HB3 SER 65 HB3 SER 65 -3.177 -7.512 -3.124 528 HG SER 65 HG SER 65 -3.878 -9.507 -4.141 529 H THR 66 H THR 66 -0.162 -8.852 -3.351 530 HA THR 66 HA THR 66 1.072 -7.122 -1.370 531 HB THR 66 HB THR 66 2.501 -7.754 -3.895 532 HG1 THR 66 HG1 THR 66 1.990 -9.651 -1.871 533 HG21 THR 66 1HG2 THR 66 3.338 -7.768 -0.969 534 HG22 THR 66 2HG2 THR 66 3.601 -6.437 -2.122 535 HG23 THR 66 3HG2 THR 66 4.395 -8.003 -2.379 536 H LEU 67 H LEU 67 0.421 -5.137 -1.251 537 HA LEU 67 HA LEU 67 0.094 -3.399 -3.590 538 HB2 LEU 67 HB2 LEU 67 0.424 -2.766 -0.618 539 HB3 LEU 67 HB3 LEU 67 0.118 -1.607 -1.901 540 HG LEU 67 HG LEU 67 -1.973 -3.192 -2.415 541 HD11 LEU 67 1HD1 LEU 67 -1.570 -4.883 -0.662 542 HD12 LEU 67 2HD1 LEU 67 -3.047 -3.985 -0.338 543 HD13 LEU 67 3HD1 LEU 67 -1.564 -3.620 0.580 544 HD21 LEU 67 3HD2 LEU 67 -1.907 -1.239 -0.071 545 HD22 LEU 67 1HD2 LEU 67 -3.335 -1.691 -1.034 546 HD23 LEU 67 2HD2 LEU 67 -2.008 -0.788 -1.787 547 H HIS 68 H HIS 68 1.590 -1.865 -4.274 548 HA HIS 68 HA HIS 68 4.426 -2.067 -3.334 549 HB2 HIS 68 HB2 HIS 68 3.382 -1.163 -6.031 550 HB3 HIS 68 HB3 HIS 68 5.020 -1.015 -5.483 551 HD1 HIS 68 HD1 HIS 68 2.862 -4.293 -5.602 552 HD2 HIS 68 HD2 HIS 68 6.603 -2.635 -6.570 553 HE1 HIS 68 HE1 HIS 68 4.248 -6.166 -6.634 554 H LEU 69 H LEU 69 5.579 -0.282 -3.471 555 HA LEU 69 HA LEU 69 3.913 2.060 -2.754 556 HB2 LEU 69 HB2 LEU 69 5.142 0.936 -0.891 557 HB3 LEU 69 HB3 LEU 69 6.629 1.347 -1.716 558 HG LEU 69 HG LEU 69 6.251 3.723 -1.309 559 HD11 LEU 69 1HD1 LEU 69 4.283 4.177 0.376 560 HD12 LEU 69 2HD1 LEU 69 3.637 2.644 -0.181 561 HD13 LEU 69 3HD1 LEU 69 3.884 3.975 -1.331 562 HD21 LEU 69 3HD2 LEU 69 6.479 3.663 1.131 563 HD22 LEU 69 1HD2 LEU 69 7.432 2.397 0.360 564 HD23 LEU 69 2HD2 LEU 69 5.894 1.981 1.159 565 H VAL 70 H VAL 70 4.547 4.065 -3.350 566 HA VAL 70 HA VAL 70 7.358 4.245 -4.271 567 HB VAL 70 HB VAL 70 6.419 6.626 -5.346 568 HG11 VAL 70 1HG1 VAL 70 6.718 4.046 -6.753 569 HG12 VAL 70 2HG1 VAL 70 6.805 5.677 -7.439 570 HG13 VAL 70 3HG1 VAL 70 8.023 5.150 -6.266 571 HG21 VAL 70 3HG2 VAL 70 4.271 4.684 -6.132 572 HG22 VAL 70 1HG2 VAL 70 4.033 6.067 -5.032 573 HG23 VAL 70 2HG2 VAL 70 4.527 6.344 -6.703 574 H LEU 71 H LEU 71 8.233 6.339 -3.987 575 HA LEU 71 HA LEU 71 7.497 7.977 -1.795 576 HB2 LEU 71 HB2 LEU 71 9.000 8.368 -4.313 577 HB3 LEU 71 HB3 LEU 71 8.627 9.759 -3.414 578 HG LEU 71 HG LEU 71 10.881 8.246 -3.225 579 HD11 LEU 71 1HD1 LEU 71 10.655 10.612 -2.704 580 HD12 LEU 71 2HD1 LEU 71 11.504 9.766 -1.401 581 HD13 LEU 71 3HD1 LEU 71 9.800 10.219 -1.189 582 HD21 LEU 71 3HD2 LEU 71 11.159 7.418 -0.992 583 HD22 LEU 71 1HD2 LEU 71 9.840 6.527 -1.764 584 HD23 LEU 71 2HD2 LEU 71 9.481 7.813 -0.584 585 H ARG 72 H ARG 72 6.889 10.152 -1.924 586 HA ARG 72 HA ARG 72 5.219 10.989 -4.247 587 HB2 ARG 72 HB2 ARG 72 4.133 11.394 -2.069 588 HB3 ARG 72 HB3 ARG 72 5.522 12.357 -1.543 589 HG2 ARG 72 HG2 ARG 72 5.055 13.981 -3.426 590 HG3 ARG 72 HG3 ARG 72 3.638 13.009 -3.859 591 HD2 ARG 72 HD2 ARG 72 2.735 13.482 -1.540 592 HD3 ARG 72 HD3 ARG 72 4.108 14.573 -1.289 593 HE ARG 72 HE ARG 72 3.166 15.689 -3.513 594 HH11 ARG 72 1HH1 ARG 72 1.510 15.265 -0.476 595 HH12 ARG 72 2HH1 ARG 72 -0.009 15.789 -1.090 596 HH21 ARG 72 1HH2 ARG 72 1.306 16.778 -4.110 597 HH22 ARG 72 2HH2 ARG 72 -0.037 16.822 -3.014 598 H LEU 73 H LEU 73 8.104 11.918 -2.387 599 HA LEU 73 HA LEU 73 8.396 14.422 -3.724 600 HB2 LEU 73 HB2 LEU 73 9.995 12.821 -1.721 601 HB3 LEU 73 HB3 LEU 73 10.724 14.255 -2.414 602 HG LEU 73 HG LEU 73 7.987 14.353 -1.091 603 HD11 LEU 73 1HD1 LEU 73 9.629 13.520 0.551 604 HD12 LEU 73 2HD1 LEU 73 9.150 15.181 0.918 605 HD13 LEU 73 3HD1 LEU 73 10.729 14.868 0.158 606 HD21 LEU 73 3HD2 LEU 73 10.110 16.488 -1.667 607 HD22 LEU 73 1HD2 LEU 73 8.563 16.755 -0.843 608 HD23 LEU 73 2HD2 LEU 73 8.573 16.291 -2.544 609 H ARG 74 H ARG 74 10.195 15.309 -4.713 610 HA ARG 74 HA ARG 74 11.552 15.684 -6.464 611 HB2 ARG 74 HB2 ARG 74 12.736 13.370 -5.252 612 HB3 ARG 74 HB3 ARG 74 12.741 13.079 -6.975 613 HG2 ARG 74 HG2 ARG 74 14.794 14.167 -6.534 614 HG3 ARG 74 HG3 ARG 74 13.781 15.403 -7.266 615 HD2 ARG 74 HD2 ARG 74 14.924 16.438 -5.463 616 HD3 ARG 74 HD3 ARG 74 13.256 16.242 -4.908 617 HE ARG 74 HE ARG 74 14.506 13.952 -4.013 618 HH11 ARG 74 1HH1 ARG 74 15.436 17.359 -3.532 619 HH12 ARG 74 2HH1 ARG 74 16.248 16.925 -2.040 620 HH21 ARG 74 1HH2 ARG 74 15.630 13.631 -2.088 621 HH22 ARG 74 2HH2 ARG 74 16.409 15.002 -1.340 622 H GLY 75 H GLY 75 12.191 14.530 -8.854 623 HA2 GLY 75 HA2 GLY 75 10.049 13.117 -10.102 624 HA3 GLY 75 HA3 GLY 75 9.737 14.845 -10.236 625 H GLY 76 H GLY 76 9.799 13.719 -12.481 626 HA2 GLY 76 HA2 GLY 76 11.610 14.910 -14.204 627 HA3 GLY 76 HA3 GLY 76 12.255 13.281 -13.887 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -6.735 -14.287 6.867 2 H2 MET 1 H2 MET 1 -5.876 -15.173 5.778 3 H3 MET 1 H3 MET 1 -7.506 -15.270 5.806 4 HA MET 1 HA MET 1 -7.056 -13.981 3.957 5 HB2 MET 1 HB2 MET 1 -8.246 -11.913 4.546 6 HB3 MET 1 HB3 MET 1 -8.956 -13.321 5.331 7 HG2 MET 1 HG2 MET 1 -7.508 -12.697 7.399 8 HG3 MET 1 HG3 MET 1 -7.254 -11.152 6.596 9 HE1 MET 1 HE1 MET 1 -8.222 -9.757 8.588 10 HE2 MET 1 HE2 MET 1 -9.686 -10.236 9.479 11 HE3 MET 1 HE3 MET 1 -8.270 -11.309 9.463 12 H GLN 2 H GLN 2 -4.301 -14.293 4.767 13 HA GLN 2 HA GLN 2 -3.177 -11.651 5.237 14 HB2 GLN 2 HB2 GLN 2 -2.292 -13.736 6.156 15 HB3 GLN 2 HB3 GLN 2 -1.926 -14.338 4.539 16 HG2 GLN 2 HG2 GLN 2 -0.162 -12.753 4.228 17 HG3 GLN 2 HG3 GLN 2 -0.709 -11.760 5.589 18 HE21 GLN 2 1HE2 GLN 2 -0.481 -12.671 7.819 19 HE22 GLN 2 2HE2 GLN 2 0.654 -14.002 8.061 20 H ILE 3 H ILE 3 -1.885 -10.390 3.880 21 HA ILE 3 HA ILE 3 -1.587 -11.061 1.007 22 HB ILE 3 HB ILE 3 -2.199 -8.890 0.257 23 HG12 ILE 3 2HG1 ILE 3 -2.911 -8.086 3.107 24 HG13 ILE 3 3HG1 ILE 3 -1.470 -7.560 2.238 25 HG21 ILE 3 1HG2 ILE 3 -4.586 -8.943 0.495 26 HG22 ILE 3 2HG2 ILE 3 -4.007 -10.607 0.534 27 HG23 ILE 3 3HG2 ILE 3 -4.486 -9.799 2.046 28 HD11 ILE 3 3HD1 ILE 3 -2.863 -6.447 0.529 29 HD12 ILE 3 1HD1 ILE 3 -4.320 -6.878 1.453 30 HD13 ILE 3 2HD1 ILE 3 -3.105 -5.802 2.162 31 H PHE 4 H PHE 4 0.129 -9.723 -0.047 32 HA PHE 4 HA PHE 4 2.255 -8.918 1.883 33 HB2 PHE 4 HB2 PHE 4 2.536 -10.551 -0.660 34 HB3 PHE 4 HB3 PHE 4 3.847 -10.037 0.375 35 HD1 PHE 4 HD1 PHE 4 3.631 -10.816 2.955 36 HD2 PHE 4 HD2 PHE 4 1.551 -12.654 -0.348 37 HE1 PHE 4 HE1 PHE 4 3.236 -12.845 4.329 38 HE2 PHE 4 HE2 PHE 4 1.175 -14.696 1.031 39 HZ PHE 4 HZ PHE 4 1.991 -14.776 3.377 40 H VAL 5 H VAL 5 3.829 -7.390 1.204 41 HA VAL 5 HA VAL 5 3.404 -6.113 -1.444 42 HB VAL 5 HB VAL 5 4.425 -4.443 0.821 43 HG11 VAL 5 1HG1 VAL 5 3.071 -3.764 -1.823 44 HG12 VAL 5 2HG1 VAL 5 3.614 -2.602 -0.595 45 HG13 VAL 5 3HG1 VAL 5 4.800 -3.582 -1.444 46 HG21 VAL 5 3HG2 VAL 5 2.170 -3.470 1.081 47 HG22 VAL 5 1HG2 VAL 5 1.503 -4.740 0.029 48 HG23 VAL 5 2HG2 VAL 5 2.223 -5.151 1.603 49 H LYS 6 H LYS 6 5.154 -5.586 -2.692 50 HA LYS 6 HA LYS 6 7.748 -6.878 -1.947 51 HB2 LYS 6 HB2 LYS 6 6.631 -7.960 -3.776 52 HB3 LYS 6 HB3 LYS 6 6.141 -6.439 -4.467 53 HG2 LYS 6 HG2 LYS 6 7.644 -7.213 -5.950 54 HG3 LYS 6 HG3 LYS 6 8.487 -5.916 -5.115 55 HD2 LYS 6 HD2 LYS 6 9.836 -7.630 -3.886 56 HD3 LYS 6 HD3 LYS 6 8.682 -8.900 -4.328 57 HE2 LYS 6 HE2 LYS 6 9.395 -8.109 -6.816 58 HE3 LYS 6 HE3 LYS 6 10.886 -7.699 -5.963 59 HZ1 LYS 6 HZ1 LYS 6 9.590 -10.406 -6.063 60 HZ2 LYS 6 HZ2 LYS 6 10.932 -10.111 -5.204 61 HZ3 LYS 6 HZ3 LYS 6 10.952 -9.980 -6.817 62 H THR 7 H THR 7 9.212 -5.384 -1.246 63 HA THR 7 HA THR 7 9.222 -2.725 -2.489 64 HB THR 7 HB THR 7 10.422 -1.833 -0.839 65 HG1 THR 7 HG1 THR 7 11.721 -3.079 0.583 66 HG21 THR 7 1HG2 THR 7 8.342 -2.779 0.189 67 HG22 THR 7 2HG2 THR 7 9.675 -2.552 1.331 68 HG23 THR 7 3HG2 THR 7 9.290 -4.179 0.734 69 H LEU 8 H LEU 8 11.204 -1.645 -3.102 70 HA LEU 8 HA LEU 8 12.526 -2.934 -5.276 71 HB2 LEU 8 HB2 LEU 8 13.367 -0.477 -3.684 72 HB3 LEU 8 HB3 LEU 8 13.959 -0.911 -5.281 73 HG LEU 8 HG LEU 8 11.046 -0.218 -4.668 74 HD11 LEU 8 1HD1 LEU 8 12.528 1.685 -4.281 75 HD12 LEU 8 2HD1 LEU 8 11.573 1.932 -5.759 76 HD13 LEU 8 3HD1 LEU 8 13.281 1.455 -5.863 77 HD21 LEU 8 3HD2 LEU 8 11.286 -1.610 -6.699 78 HD22 LEU 8 1HD2 LEU 8 12.533 -0.505 -7.320 79 HD23 LEU 8 2HD2 LEU 8 10.855 0.046 -7.120 80 H THR 9 H THR 9 13.609 -2.374 -1.917 81 HA THR 9 HA THR 9 16.071 -3.806 -2.273 82 HB THR 9 HB THR 9 15.089 -3.365 0.489 83 HG1 THR 9 HG1 THR 9 15.559 -1.237 0.419 84 HG21 THR 9 1HG2 THR 9 17.426 -2.682 0.845 85 HG22 THR 9 2HG2 THR 9 17.752 -2.804 -0.900 86 HG23 THR 9 3HG2 THR 9 17.383 -4.259 0.046 87 H GLY 10 H GLY 10 13.568 -5.293 -2.904 88 HA2 GLY 10 HA2 GLY 10 12.993 -7.496 -2.951 89 HA3 GLY 10 HA3 GLY 10 14.529 -7.861 -2.161 90 H LYS 11 H LYS 11 12.542 -5.804 -0.214 91 HA LYS 11 HA LYS 11 12.049 -8.019 1.647 92 HB2 LYS 11 HB2 LYS 11 11.486 -5.042 1.784 93 HB3 LYS 11 HB3 LYS 11 10.848 -6.152 2.984 94 HG2 LYS 11 HG2 LYS 11 13.814 -5.833 2.370 95 HG3 LYS 11 HG3 LYS 11 12.941 -5.019 3.673 96 HD2 LYS 11 HD2 LYS 11 12.265 -7.329 4.541 97 HD3 LYS 11 HD3 LYS 11 13.438 -8.016 3.404 98 HE2 LYS 11 HE2 LYS 11 14.017 -6.017 5.636 99 HE3 LYS 11 HE3 LYS 11 14.373 -7.747 5.684 100 HZ1 LYS 11 HZ1 LYS 11 16.304 -6.385 5.078 101 HZ2 LYS 11 HZ2 LYS 11 15.549 -5.817 3.760 102 HZ3 LYS 11 HZ3 LYS 11 15.938 -7.421 3.844 103 H THR 12 H THR 12 10.356 -9.198 1.880 104 HA THR 12 HA THR 12 7.764 -8.454 0.742 105 HB THR 12 HB THR 12 8.197 -10.907 2.406 106 HG1 THR 12 HG1 THR 12 8.687 -11.961 0.490 107 HG21 THR 12 1HG2 THR 12 6.347 -10.245 0.075 108 HG22 THR 12 2HG2 THR 12 5.877 -10.299 1.791 109 HG23 THR 12 3HG2 THR 12 6.395 -11.782 0.970 110 H ILE 13 H ILE 13 6.594 -7.015 1.793 111 HA ILE 13 HA ILE 13 6.575 -6.878 4.758 112 HB ILE 13 HB ILE 13 4.827 -5.301 2.865 113 HG12 ILE 13 2HG1 ILE 13 7.039 -4.852 2.015 114 HG13 ILE 13 3HG1 ILE 13 6.415 -3.461 2.863 115 HG21 ILE 13 1HG2 ILE 13 5.803 -4.766 5.699 116 HG22 ILE 13 2HG2 ILE 13 4.877 -3.621 4.711 117 HG23 ILE 13 3HG2 ILE 13 4.150 -5.159 5.185 118 HD11 ILE 13 3HD1 ILE 13 8.494 -5.427 3.948 119 HD12 ILE 13 1HD1 ILE 13 8.796 -3.780 3.370 120 HD13 ILE 13 2HD1 ILE 13 7.856 -4.035 4.845 121 H THR 14 H THR 14 4.830 -7.574 6.000 122 HA THR 14 HA THR 14 2.670 -9.121 4.617 123 HB THR 14 HB THR 14 3.914 -9.684 7.328 124 HG1 THR 14 HG1 THR 14 5.364 -10.574 6.130 125 HG21 THR 14 1HG2 THR 14 1.626 -10.509 7.250 126 HG22 THR 14 2HG2 THR 14 2.730 -11.874 7.036 127 HG23 THR 14 3HG2 THR 14 1.891 -11.189 5.624 128 H LEU 15 H LEU 15 0.531 -8.758 5.189 129 HA LEU 15 HA LEU 15 0.031 -6.720 7.326 130 HB2 LEU 15 HB2 LEU 15 -0.984 -6.734 4.470 131 HB3 LEU 15 HB3 LEU 15 -1.626 -5.683 5.724 132 HG LEU 15 HG LEU 15 1.279 -5.640 4.803 133 HD11 LEU 15 1HD1 LEU 15 -1.032 -3.770 4.134 134 HD12 LEU 15 2HD1 LEU 15 -0.257 -4.920 3.020 135 HD13 LEU 15 3HD1 LEU 15 0.668 -3.554 3.660 136 HD21 LEU 15 3HD2 LEU 15 -0.322 -3.719 6.566 137 HD22 LEU 15 1HD2 LEU 15 1.337 -3.459 5.982 138 HD23 LEU 15 2HD2 LEU 15 1.009 -4.773 7.102 139 H GLU 16 H GLU 16 -2.032 -6.458 8.094 140 HA GLU 16 HA GLU 16 -3.586 -8.985 8.365 141 HB2 GLU 16 HB2 GLU 16 -3.962 -8.332 10.676 142 HB3 GLU 16 HB3 GLU 16 -2.256 -8.490 10.324 143 HG2 GLU 16 HG2 GLU 16 -1.796 -6.365 10.912 144 HG3 GLU 16 HG3 GLU 16 -3.097 -5.709 9.936 145 H VAL 17 H VAL 17 -4.701 -7.875 6.354 146 HA VAL 17 HA VAL 17 -6.789 -5.944 7.259 147 HB VAL 17 HB VAL 17 -6.912 -5.001 5.161 148 HG11 VAL 17 1HG1 VAL 17 -3.935 -5.579 5.427 149 HG12 VAL 17 2HG1 VAL 17 -4.715 -4.134 4.765 150 HG13 VAL 17 3HG1 VAL 17 -4.809 -4.466 6.500 151 HG21 VAL 17 3HG2 VAL 17 -5.191 -7.278 4.100 152 HG22 VAL 17 1HG2 VAL 17 -6.888 -6.944 3.701 153 HG23 VAL 17 2HG2 VAL 17 -5.625 -5.813 3.193 154 H GLU 18 H GLU 18 -8.968 -6.102 6.539 155 HA GLU 18 HA GLU 18 -9.901 -8.903 6.210 156 HB2 GLU 18 HB2 GLU 18 -11.304 -6.235 6.512 157 HB3 GLU 18 HB3 GLU 18 -12.163 -7.642 5.966 158 HG2 GLU 18 HG2 GLU 18 -10.678 -8.361 8.352 159 HG3 GLU 18 HG3 GLU 18 -11.517 -6.855 8.658 160 HA PRO 19 HA PRO 19 -10.095 -8.589 1.673 161 HB2 PRO 19 HB2 PRO 19 -12.261 -10.171 1.109 162 HB3 PRO 19 HB3 PRO 19 -10.687 -10.836 1.631 163 HG2 PRO 19 HG2 PRO 19 -13.125 -10.271 3.356 164 HG3 PRO 19 HG3 PRO 19 -12.158 -11.778 3.275 165 HD2 PRO 19 HD2 PRO 19 -11.721 -9.939 5.210 166 HD3 PRO 19 HD3 PRO 19 -10.344 -10.779 4.436 167 H SER 20 H SER 20 -12.721 -7.749 3.779 168 HA SER 20 HA SER 20 -14.110 -6.086 1.782 169 HB2 SER 20 HB2 SER 20 -14.696 -6.757 4.685 170 HB3 SER 20 HB3 SER 20 -15.698 -5.690 3.677 171 HG SER 20 HG SER 20 -16.158 -8.127 3.780 172 H ASP 21 H ASP 21 -11.297 -5.518 3.472 173 HA ASP 21 HA ASP 21 -11.849 -2.819 4.311 174 HB2 ASP 21 HB2 ASP 21 -9.289 -4.344 3.953 175 HB3 ASP 21 HB3 ASP 21 -9.266 -2.596 3.988 176 H THR 22 H THR 22 -11.674 -0.939 3.439 177 HA THR 22 HA THR 22 -11.746 -0.647 0.566 178 HB THR 22 HB THR 22 -12.035 1.690 0.923 179 HG1 THR 22 HG1 THR 22 -11.911 2.489 3.072 180 HG21 THR 22 1HG2 THR 22 -14.013 0.231 1.502 181 HG22 THR 22 2HG2 THR 22 -13.988 1.799 2.329 182 HG23 THR 22 3HG2 THR 22 -13.524 0.328 3.210 183 H ILE 23 H ILE 23 -10.260 0.654 -0.731 184 HA ILE 23 HA ILE 23 -7.541 -0.216 -0.328 185 HB ILE 23 HB ILE 23 -8.762 1.805 -2.260 186 HG12 ILE 23 2HG1 ILE 23 -9.745 -0.320 -2.732 187 HG13 ILE 23 3HG1 ILE 23 -8.558 0.025 -3.966 188 HG21 ILE 23 1HG2 ILE 23 -6.687 1.290 -3.632 189 HG22 ILE 23 2HG2 ILE 23 -6.507 2.299 -2.205 190 HG23 ILE 23 3HG2 ILE 23 -5.985 0.579 -2.154 191 HD11 ILE 23 3HD1 ILE 23 -6.936 -1.539 -2.835 192 HD12 ILE 23 1HD1 ILE 23 -8.216 -1.947 -1.665 193 HD13 ILE 23 2HD1 ILE 23 -8.428 -2.317 -3.379 194 H GLU 24 H GLU 24 -9.252 2.645 0.619 195 HA GLU 24 HA GLU 24 -6.947 4.196 1.482 196 HB2 GLU 24 HB2 GLU 24 -8.636 5.709 2.410 197 HB3 GLU 24 HB3 GLU 24 -8.813 5.351 0.703 198 HG2 GLU 24 HG2 GLU 24 -10.528 3.548 1.506 199 HG3 GLU 24 HG3 GLU 24 -10.549 4.429 3.021 200 H ASN 25 H ASN 25 -9.371 2.077 3.196 201 HA ASN 25 HA ASN 25 -8.323 2.312 5.826 202 HB2 ASN 25 HB2 ASN 25 -9.822 0.191 4.321 203 HB3 ASN 25 HB3 ASN 25 -9.022 -0.237 5.813 204 HD21 ASN 25 1HD2 ASN 25 -11.058 -0.734 6.554 205 HD22 ASN 25 2HD2 ASN 25 -12.101 0.542 7.211 206 H VAL 26 H VAL 26 -7.369 -0.010 3.252 207 HA VAL 26 HA VAL 26 -5.225 -1.219 4.708 208 HB VAL 26 HB VAL 26 -5.557 -0.781 1.715 209 HG11 VAL 26 1HG1 VAL 26 -3.236 -1.419 2.116 210 HG12 VAL 26 2HG1 VAL 26 -3.746 -2.746 3.177 211 HG13 VAL 26 3HG1 VAL 26 -4.100 -2.802 1.438 212 HG21 VAL 26 3HG2 VAL 26 -6.333 -3.158 3.470 213 HG22 VAL 26 1HG2 VAL 26 -7.442 -2.060 2.650 214 HG23 VAL 26 2HG2 VAL 26 -6.424 -3.121 1.697 215 H LYS 27 H LYS 27 -5.283 1.699 2.615 216 HA LYS 27 HA LYS 27 -2.468 2.266 2.734 217 HB2 LYS 27 HB2 LYS 27 -4.817 3.511 1.593 218 HB3 LYS 27 HB3 LYS 27 -4.092 4.698 2.643 219 HG2 LYS 27 HG2 LYS 27 -2.849 5.176 0.799 220 HG3 LYS 27 HG3 LYS 27 -1.826 3.907 1.450 221 HD2 LYS 27 HD2 LYS 27 -2.044 3.367 -0.829 222 HD3 LYS 27 HD3 LYS 27 -3.202 2.271 -0.038 223 HE2 LYS 27 HE2 LYS 27 -5.055 3.823 -0.574 224 HE3 LYS 27 HE3 LYS 27 -3.910 4.996 -1.248 225 HZ1 LYS 27 HZ1 LYS 27 -4.877 3.735 -3.048 226 HZ2 LYS 27 HZ2 LYS 27 -4.522 2.317 -2.343 227 HZ3 LYS 27 HZ3 LYS 27 -3.337 3.292 -2.945 228 H ALA 28 H ALA 28 -5.027 2.825 5.081 229 HA ALA 28 HA ALA 28 -3.355 4.631 6.694 230 HB1 ALA 28 HB1 ALA 28 -5.828 4.759 6.716 231 HB2 ALA 28 HB2 ALA 28 -5.915 3.139 7.438 232 HB3 ALA 28 HB3 ALA 28 -5.156 4.470 8.331 233 H LYS 29 H LYS 29 -4.412 1.194 7.075 234 HA LYS 29 HA LYS 29 -2.984 0.682 9.471 235 HB2 LYS 29 HB2 LYS 29 -3.627 -1.309 7.239 236 HB3 LYS 29 HB3 LYS 29 -3.188 -1.717 8.903 237 HG2 LYS 29 HG2 LYS 29 -5.251 -0.426 9.673 238 HG3 LYS 29 HG3 LYS 29 -5.698 -0.264 7.982 239 HD2 LYS 29 HD2 LYS 29 -6.947 -2.100 8.575 240 HD3 LYS 29 HD3 LYS 29 -5.528 -2.881 7.897 241 HE2 LYS 29 HE2 LYS 29 -4.541 -3.137 10.163 242 HE3 LYS 29 HE3 LYS 29 -5.910 -2.293 10.881 243 HZ1 LYS 29 HZ1 LYS 29 -5.907 -4.726 11.052 244 HZ2 LYS 29 HZ2 LYS 29 -6.129 -4.926 9.488 245 HZ3 LYS 29 HZ3 LYS 29 -7.306 -4.202 10.421 246 H ILE 30 H ILE 30 -1.624 0.668 6.201 247 HA ILE 30 HA ILE 30 0.793 -0.683 6.918 248 HB ILE 30 HB ILE 30 -0.168 -0.162 4.576 249 HG12 ILE 30 2HG1 ILE 30 2.803 0.253 5.096 250 HG13 ILE 30 3HG1 ILE 30 1.992 -1.310 5.127 251 HG21 ILE 30 1HG2 ILE 30 1.503 2.361 4.791 252 HG22 ILE 30 2HG2 ILE 30 0.520 1.807 3.422 253 HG23 ILE 30 3HG2 ILE 30 -0.262 2.323 4.915 254 HD11 ILE 30 3HD1 ILE 30 3.089 -1.077 2.989 255 HD12 ILE 30 1HD1 ILE 30 1.333 -1.053 2.742 256 HD13 ILE 30 2HD1 ILE 30 2.269 0.459 2.666 257 H GLN 31 H GLN 31 -0.155 2.680 7.553 258 HA GLN 31 HA GLN 31 2.610 3.591 7.836 259 HB2 GLN 31 HB2 GLN 31 -0.121 4.846 8.280 260 HB3 GLN 31 HB3 GLN 31 1.287 5.550 9.035 261 HG2 GLN 31 HG2 GLN 31 1.651 6.716 7.186 262 HG3 GLN 31 HG3 GLN 31 2.190 5.230 6.426 263 HE21 GLN 31 1HE2 GLN 31 1.103 4.687 4.527 264 HE22 GLN 31 2HE2 GLN 31 -0.568 5.174 4.243 265 H ASP 32 H ASP 32 0.355 1.987 9.851 266 HA ASP 32 HA ASP 32 2.004 2.475 12.273 267 HB2 ASP 32 HB2 ASP 32 -0.829 2.051 11.739 268 HB3 ASP 32 HB3 ASP 32 -0.272 0.823 12.823 269 H LYS 33 H LYS 33 1.107 -0.216 10.106 270 HA LYS 33 HA LYS 33 2.550 -2.076 11.840 271 HB2 LYS 33 HB2 LYS 33 0.656 -2.328 9.699 272 HB3 LYS 33 HB3 LYS 33 2.081 -3.231 9.226 273 HG2 LYS 33 HG2 LYS 33 0.600 -3.523 11.883 274 HG3 LYS 33 HG3 LYS 33 0.409 -4.594 10.490 275 HD2 LYS 33 HD2 LYS 33 2.762 -5.295 10.643 276 HD3 LYS 33 HD3 LYS 33 3.042 -4.209 11.997 277 HE2 LYS 33 HE2 LYS 33 1.167 -6.606 12.031 278 HE3 LYS 33 HE3 LYS 33 2.796 -6.519 12.714 279 HZ1 LYS 33 HZ1 LYS 33 1.583 -6.003 14.558 280 HZ2 LYS 33 HZ2 LYS 33 0.340 -5.297 13.746 281 HZ3 LYS 33 HZ3 LYS 33 1.755 -4.495 14.008 282 H GLU 34 H GLU 34 3.560 -0.215 9.024 283 HA GLU 34 HA GLU 34 6.332 -1.165 9.579 284 HB2 GLU 34 HB2 GLU 34 5.370 -2.588 7.798 285 HB3 GLU 34 HB3 GLU 34 4.977 -1.155 6.867 286 HG2 GLU 34 HG2 GLU 34 6.856 -2.179 5.920 287 HG3 GLU 34 HG3 GLU 34 7.389 -0.658 6.577 288 H GLY 35 H GLY 35 4.261 1.498 8.688 289 HA2 GLY 35 HA2 GLY 35 4.850 3.764 8.835 290 HA3 GLY 35 HA3 GLY 35 6.542 3.318 9.019 291 H ILE 36 H ILE 36 4.196 2.616 6.407 292 HA ILE 36 HA ILE 36 6.054 3.797 4.386 293 HB ILE 36 HB ILE 36 3.704 1.938 4.009 294 HG12 ILE 36 2HG1 ILE 36 5.376 0.717 5.272 295 HG13 ILE 36 3HG1 ILE 36 5.303 0.125 3.628 296 HG21 ILE 36 1HG2 ILE 36 4.649 1.504 1.775 297 HG22 ILE 36 2HG2 ILE 36 4.164 3.182 1.973 298 HG23 ILE 36 3HG2 ILE 36 5.882 2.749 2.054 299 HD11 ILE 36 3HD1 ILE 36 7.610 0.227 4.393 300 HD12 ILE 36 1HD1 ILE 36 7.392 1.382 3.076 301 HD13 ILE 36 2HD1 ILE 36 7.467 1.953 4.761 302 HA PRO 37 HA PRO 37 2.674 6.959 4.517 303 HB2 PRO 37 HB2 PRO 37 4.148 9.239 4.365 304 HB3 PRO 37 HB3 PRO 37 4.051 8.274 5.872 305 HG2 PRO 37 HG2 PRO 37 6.212 8.160 3.728 306 HG3 PRO 37 HG3 PRO 37 6.427 8.382 5.496 307 HD2 PRO 37 HD2 PRO 37 6.633 5.926 4.350 308 HD3 PRO 37 HD3 PRO 37 5.859 6.161 5.951 309 HA PRO 38 HA PRO 38 2.312 7.607 0.134 310 HB2 PRO 38 HB2 PRO 38 0.793 9.887 -0.093 311 HB3 PRO 38 HB3 PRO 38 0.156 8.328 0.517 312 HG2 PRO 38 HG2 PRO 38 1.190 10.680 2.147 313 HG3 PRO 38 HG3 PRO 38 -0.360 9.796 2.343 314 HD2 PRO 38 HD2 PRO 38 1.790 9.188 3.863 315 HD3 PRO 38 HD3 PRO 38 0.736 7.891 3.237 316 H ASP 39 H ASP 39 3.701 10.269 1.997 317 HA ASP 39 HA ASP 39 4.589 11.975 -0.032 318 HB2 ASP 39 HB2 ASP 39 5.641 11.388 2.743 319 HB3 ASP 39 HB3 ASP 39 6.373 12.608 1.715 320 H GLN 40 H GLN 40 5.714 8.843 0.333 321 HA GLN 40 HA GLN 40 8.513 9.481 -0.541 322 HB2 GLN 40 HB2 GLN 40 7.985 9.154 1.871 323 HB3 GLN 40 HB3 GLN 40 7.496 7.502 1.538 324 HG2 GLN 40 HG2 GLN 40 10.263 8.553 0.787 325 HG3 GLN 40 HG3 GLN 40 9.891 8.072 2.434 326 HE21 GLN 40 1HE2 GLN 40 11.921 6.742 1.249 327 HE22 GLN 40 2HE2 GLN 40 11.358 5.129 0.809 328 H ASN 41 H ASN 41 5.783 7.460 -1.301 329 HA ASN 41 HA ASN 41 7.284 5.834 -3.238 330 HB2 ASN 41 HB2 ASN 41 6.658 3.713 -2.006 331 HB3 ASN 41 HB3 ASN 41 7.791 4.706 -1.126 332 HD21 ASN 41 1HD2 ASN 41 7.225 5.313 0.916 333 HD22 ASN 41 2HD2 ASN 41 5.543 5.379 1.483 334 H ARG 42 H ARG 42 5.537 3.938 -4.028 335 HA ARG 42 HA ARG 42 2.888 4.419 -3.218 336 HB2 ARG 42 HB2 ARG 42 1.668 4.808 -5.254 337 HB3 ARG 42 HB3 ARG 42 2.639 6.185 -4.830 338 HG2 ARG 42 HG2 ARG 42 3.477 4.210 -7.005 339 HG3 ARG 42 HG3 ARG 42 2.381 5.553 -7.267 340 HD2 ARG 42 HD2 ARG 42 4.346 6.978 -6.171 341 HD3 ARG 42 HD3 ARG 42 5.327 5.618 -6.731 342 HE ARG 42 HE ARG 42 3.476 7.216 -8.504 343 HH11 ARG 42 1HH1 ARG 42 6.792 5.963 -8.158 344 HH12 ARG 42 2HH1 ARG 42 7.069 6.252 -9.873 345 HH21 ARG 42 1HH2 ARG 42 4.077 7.680 -10.567 346 HH22 ARG 42 2HH2 ARG 42 5.663 7.231 -11.117 347 H LEU 43 H LEU 43 1.729 2.616 -3.255 348 HA LEU 43 HA LEU 43 2.954 0.140 -4.098 349 HB2 LEU 43 HB2 LEU 43 0.255 0.850 -2.890 350 HB3 LEU 43 HB3 LEU 43 0.617 -0.765 -3.484 351 HG LEU 43 HG LEU 43 2.624 -0.848 -1.957 352 HD11 LEU 43 1HD1 LEU 43 2.565 0.604 0.055 353 HD12 LEU 43 2HD1 LEU 43 1.269 1.573 -0.670 354 HD13 LEU 43 3HD1 LEU 43 2.896 1.547 -1.389 355 HD21 LEU 43 3HD2 LEU 43 0.511 -2.008 -1.471 356 HD22 LEU 43 1HD2 LEU 43 -0.137 -0.541 -0.699 357 HD23 LEU 43 2HD2 LEU 43 1.244 -1.397 0.018 358 H ILE 44 H ILE 44 2.646 -1.097 -5.786 359 HA ILE 44 HA ILE 44 0.544 -0.413 -7.849 360 HB ILE 44 HB ILE 44 3.225 -1.738 -8.351 361 HG12 ILE 44 2HG1 ILE 44 3.696 0.524 -7.690 362 HG13 ILE 44 3HG1 ILE 44 4.025 0.289 -9.393 363 HG21 ILE 44 1HG2 ILE 44 2.742 -1.180 -10.752 364 HG22 ILE 44 2HG2 ILE 44 1.653 -2.380 -10.060 365 HG23 ILE 44 3HG2 ILE 44 1.103 -0.705 -10.272 366 HD11 ILE 44 3HD1 ILE 44 1.577 1.717 -8.279 367 HD12 ILE 44 1HD1 ILE 44 3.009 2.481 -8.983 368 HD13 ILE 44 2HD1 ILE 44 1.950 1.493 -10.003 369 H PHE 45 H PHE 45 -0.641 -2.174 -8.789 370 HA PHE 45 HA PHE 45 0.201 -4.887 -8.015 371 HB2 PHE 45 HB2 PHE 45 -1.342 -4.585 -6.340 372 HB3 PHE 45 HB3 PHE 45 -2.479 -3.774 -7.405 373 HD1 PHE 45 HD1 PHE 45 -1.115 -7.084 -6.440 374 HD2 PHE 45 HD2 PHE 45 -4.068 -4.974 -8.774 375 HE1 PHE 45 HE1 PHE 45 -2.375 -9.197 -6.764 376 HE2 PHE 45 HE2 PHE 45 -5.337 -7.090 -9.071 377 HZ PHE 45 HZ PHE 45 -4.493 -9.199 -8.074 378 H ALA 46 H ALA 46 0.517 -6.193 -9.650 379 HA ALA 46 HA ALA 46 0.780 -6.765 -11.838 380 HB1 ALA 46 HB1 ALA 46 -1.306 -7.896 -11.224 381 HB2 ALA 46 HB2 ALA 46 -2.247 -6.503 -11.807 382 HB3 ALA 46 HB3 ALA 46 -1.281 -7.463 -12.946 383 H GLY 47 H GLY 47 1.542 -4.203 -11.636 384 HA2 GLY 47 HA2 GLY 47 2.110 -2.375 -12.939 385 HA3 GLY 47 HA3 GLY 47 1.153 -3.043 -14.257 386 H LYS 48 H LYS 48 -1.250 -3.066 -12.251 387 HA LYS 48 HA LYS 48 -2.297 -0.445 -12.987 388 HB2 LYS 48 HB2 LYS 48 -3.407 -2.821 -12.915 389 HB3 LYS 48 HB3 LYS 48 -3.635 -2.516 -11.201 390 HG2 LYS 48 HG2 LYS 48 -5.033 -0.588 -11.656 391 HG3 LYS 48 HG3 LYS 48 -4.644 -0.637 -13.384 392 HD2 LYS 48 HD2 LYS 48 -6.132 -2.853 -11.904 393 HD3 LYS 48 HD3 LYS 48 -6.910 -1.557 -12.821 394 HE2 LYS 48 HE2 LYS 48 -5.725 -2.280 -14.884 395 HE3 LYS 48 HE3 LYS 48 -4.952 -3.588 -13.989 396 HZ1 LYS 48 HZ1 LYS 48 -6.904 -4.338 -15.234 397 HZ2 LYS 48 HZ2 LYS 48 -7.886 -3.344 -14.334 398 HZ3 LYS 48 HZ3 LYS 48 -7.106 -4.584 -13.623 399 H GLN 49 H GLN 49 -2.561 1.311 -11.659 400 HA GLN 49 HA GLN 49 -1.392 1.277 -8.939 401 HB2 GLN 49 HB2 GLN 49 -1.519 3.196 -10.910 402 HB3 GLN 49 HB3 GLN 49 -2.913 3.669 -9.951 403 HG2 GLN 49 HG2 GLN 49 -0.080 3.254 -8.867 404 HG3 GLN 49 HG3 GLN 49 -0.733 4.803 -9.378 405 HE21 GLN 49 1HE2 GLN 49 -0.474 2.649 -6.602 406 HE22 GLN 49 2HE2 GLN 49 -1.650 3.603 -5.682 407 H LEU 50 H LEU 50 -2.811 2.187 -7.138 408 HA LEU 50 HA LEU 50 -5.532 0.959 -7.186 409 HB2 LEU 50 HB2 LEU 50 -3.452 0.882 -4.976 410 HB3 LEU 50 HB3 LEU 50 -5.092 0.246 -4.877 411 HG LEU 50 HG LEU 50 -2.906 -0.796 -6.734 412 HD11 LEU 50 1HD1 LEU 50 -4.153 -1.944 -4.202 413 HD12 LEU 50 2HD1 LEU 50 -2.499 -1.312 -4.370 414 HD13 LEU 50 3HD1 LEU 50 -2.989 -2.761 -5.249 415 HD21 LEU 50 3HD2 LEU 50 -4.518 -2.699 -7.076 416 HD22 LEU 50 1HD2 LEU 50 -5.080 -1.181 -7.757 417 HD23 LEU 50 2HD2 LEU 50 -5.759 -1.763 -6.222 418 H GLU 51 H GLU 51 -6.839 2.695 -7.285 419 HA GLU 51 HA GLU 51 -6.297 5.157 -5.818 420 HB2 GLU 51 HB2 GLU 51 -6.915 5.062 -8.195 421 HB3 GLU 51 HB3 GLU 51 -8.543 4.443 -7.721 422 HG2 GLU 51 HG2 GLU 51 -9.052 6.530 -6.577 423 HG3 GLU 51 HG3 GLU 51 -7.408 7.121 -6.791 424 H ASP 52 H ASP 52 -8.450 6.205 -4.911 425 HA ASP 52 HA ASP 52 -9.086 4.595 -2.507 426 HB2 ASP 52 HB2 ASP 52 -10.171 6.946 -1.878 427 HB3 ASP 52 HB3 ASP 52 -8.411 6.623 -1.853 428 H GLY 53 H GLY 53 -11.297 5.243 -1.488 429 HA2 GLY 53 HA2 GLY 53 -13.466 4.699 -1.242 430 HA3 GLY 53 HA3 GLY 53 -13.670 5.121 -2.995 431 H ARG 54 H ARG 54 -11.835 2.793 -3.721 432 HA ARG 54 HA ARG 54 -13.878 0.687 -3.932 433 HB2 ARG 54 HB2 ARG 54 -10.979 0.944 -4.854 434 HB3 ARG 54 HB3 ARG 54 -11.971 -0.431 -5.234 435 HG2 ARG 54 HG2 ARG 54 -12.680 2.436 -6.011 436 HG3 ARG 54 HG3 ARG 54 -11.834 1.285 -7.064 437 HD2 ARG 54 HD2 ARG 54 -13.737 0.295 -7.682 438 HD3 ARG 54 HD3 ARG 54 -14.215 -0.007 -6.017 439 HE ARG 54 HE ARG 54 -14.767 2.729 -6.655 440 HH11 ARG 54 1HH1 ARG 54 -15.977 -0.520 -7.391 441 HH12 ARG 54 2HH1 ARG 54 -17.598 0.114 -7.667 442 HH21 ARG 54 1HH2 ARG 54 -17.000 3.363 -6.977 443 HH22 ARG 54 2HH2 ARG 54 -18.086 2.086 -7.460 444 H THR 55 H THR 55 -13.113 -1.661 -3.611 445 HA THR 55 HA THR 55 -11.617 -2.015 -1.019 446 HB THR 55 HB THR 55 -12.959 -4.117 -0.768 447 HG1 THR 55 HG1 THR 55 -15.032 -3.244 -2.288 448 HG21 THR 55 1HG2 THR 55 -15.045 -3.057 0.025 449 HG22 THR 55 2HG2 THR 55 -14.534 -1.521 -0.729 450 HG23 THR 55 3HG2 THR 55 -13.587 -2.238 0.589 451 H LEU 56 H LEU 56 -10.585 -4.093 -0.837 452 HA LEU 56 HA LEU 56 -8.713 -4.689 -2.851 453 HB2 LEU 56 HB2 LEU 56 -9.910 -6.354 -0.622 454 HB3 LEU 56 HB3 LEU 56 -8.486 -6.874 -1.510 455 HG LEU 56 HG LEU 56 -8.598 -4.271 0.088 456 HD11 LEU 56 1HD1 LEU 56 -8.881 -6.298 1.495 457 HD12 LEU 56 2HD1 LEU 56 -7.383 -5.432 1.804 458 HD13 LEU 56 3HD1 LEU 56 -7.352 -6.944 0.854 459 HD21 LEU 56 3HD2 LEU 56 -6.090 -4.495 -0.064 460 HD22 LEU 56 1HD2 LEU 56 -6.865 -4.213 -1.624 461 HD23 LEU 56 2HD2 LEU 56 -6.313 -5.847 -1.184 462 H SER 57 H SER 57 -11.632 -6.634 -2.041 463 HA SER 57 HA SER 57 -11.361 -8.507 -4.108 464 HB2 SER 57 HB2 SER 57 -12.932 -8.715 -2.204 465 HB3 SER 57 HB3 SER 57 -13.956 -7.456 -2.927 466 HG SER 57 HG SER 57 -13.910 -8.921 -4.858 467 H ASP 58 H ASP 58 -12.578 -5.186 -4.449 468 HA ASP 58 HA ASP 58 -13.959 -5.745 -7.000 469 HB2 ASP 58 HB2 ASP 58 -14.458 -3.874 -5.255 470 HB3 ASP 58 HB3 ASP 58 -13.085 -3.017 -5.958 471 H TYR 59 H TYR 59 -10.776 -4.597 -5.924 472 HA TYR 59 HA TYR 59 -9.667 -4.488 -8.617 473 HB2 TYR 59 HB2 TYR 59 -8.557 -4.001 -5.892 474 HB3 TYR 59 HB3 TYR 59 -7.458 -4.419 -7.180 475 HD1 TYR 59 HD2 TYR 59 -7.339 -3.095 -9.280 476 HD2 TYR 59 HD1 TYR 59 -9.341 -1.701 -5.725 477 HE1 TYR 59 HE2 TYR 59 -6.949 -0.732 -9.991 478 HE2 TYR 59 HE1 TYR 59 -8.934 0.674 -6.437 479 HH TYR 59 HH TYR 59 -6.983 1.421 -9.331 480 H ASN 60 H ASN 60 -10.774 -7.074 -7.146 481 HA ASN 60 HA ASN 60 -10.461 -9.280 -7.191 482 HB2 ASN 60 HB2 ASN 60 -10.210 -8.673 -9.681 483 HB3 ASN 60 HB3 ASN 60 -8.482 -8.952 -9.465 484 HD21 ASN 60 1HD2 ASN 60 -11.698 -10.503 -9.141 485 HD22 ASN 60 2HD2 ASN 60 -11.066 -12.118 -9.456 486 H ILE 61 H ILE 61 -8.594 -7.638 -5.492 487 HA ILE 61 HA ILE 61 -6.084 -9.116 -5.428 488 HB ILE 61 HB ILE 61 -7.161 -7.153 -3.381 489 HG12 ILE 61 2HG1 ILE 61 -5.637 -6.714 -5.967 490 HG13 ILE 61 3HG1 ILE 61 -7.181 -6.042 -5.496 491 HG21 ILE 61 1HG2 ILE 61 -4.780 -6.928 -2.756 492 HG22 ILE 61 2HG2 ILE 61 -5.281 -8.605 -2.607 493 HG23 ILE 61 3HG2 ILE 61 -4.323 -8.095 -4.016 494 HD11 ILE 61 3HD1 ILE 61 -4.481 -5.278 -4.345 495 HD12 ILE 61 1HD1 ILE 61 -5.534 -4.313 -5.388 496 HD13 ILE 61 2HD1 ILE 61 -6.054 -4.689 -3.737 497 H GLN 62 H GLN 62 -6.322 -11.196 -5.003 498 HA GLN 62 HA GLN 62 -8.141 -12.341 -3.088 499 HB2 GLN 62 HB2 GLN 62 -5.711 -13.639 -4.348 500 HB3 GLN 62 HB3 GLN 62 -7.149 -14.467 -3.733 501 HG2 GLN 62 HG2 GLN 62 -8.146 -14.391 -5.729 502 HG3 GLN 62 HG3 GLN 62 -8.004 -12.661 -5.844 503 HE21 GLN 62 1HE2 GLN 62 -7.280 -12.410 -8.021 504 HE22 GLN 62 2HE2 GLN 62 -5.846 -13.243 -8.606 505 H LYS 63 H LYS 63 -7.358 -14.039 -1.510 506 HA LYS 63 HA LYS 63 -5.403 -13.306 0.465 507 HB2 LYS 63 HB2 LYS 63 -5.670 -15.547 1.274 508 HB3 LYS 63 HB3 LYS 63 -7.249 -15.111 0.602 509 HG2 LYS 63 HG2 LYS 63 -6.537 -16.291 -1.559 510 HG3 LYS 63 HG3 LYS 63 -5.100 -16.842 -0.691 511 HD2 LYS 63 HD2 LYS 63 -6.641 -18.011 0.955 512 HD3 LYS 63 HD3 LYS 63 -7.976 -17.630 -0.168 513 HE2 LYS 63 HE2 LYS 63 -6.578 -18.666 -2.028 514 HE3 LYS 63 HE3 LYS 63 -5.392 -19.131 -0.805 515 HZ1 LYS 63 HZ1 LYS 63 -6.767 -20.963 -1.276 516 HZ2 LYS 63 HZ2 LYS 63 -8.164 -20.149 -1.061 517 HZ3 LYS 63 HZ3 LYS 63 -7.184 -20.499 0.240 518 H GLU 64 H GLU 64 -3.274 -13.940 0.757 519 HA GLU 64 HA GLU 64 -1.121 -14.411 0.232 520 HB2 GLU 64 HB2 GLU 64 -2.486 -16.753 -1.138 521 HB3 GLU 64 HB3 GLU 64 -0.738 -16.649 -0.858 522 HG2 GLU 64 HG2 GLU 64 -1.017 -16.501 1.538 523 HG3 GLU 64 HG3 GLU 64 -2.767 -16.405 1.391 524 H SER 65 H SER 65 -2.326 -12.466 -1.424 525 HA SER 65 HA SER 65 -1.142 -12.739 -4.083 526 HB2 SER 65 HB2 SER 65 -2.302 -10.579 -4.501 527 HB3 SER 65 HB3 SER 65 -3.381 -11.893 -3.985 528 HG SER 65 HG SER 65 -3.882 -10.817 -2.275 529 H THR 66 H THR 66 0.382 -11.475 -4.972 530 HA THR 66 HA THR 66 2.132 -9.977 -3.119 531 HB THR 66 HB THR 66 3.081 -10.741 -5.863 532 HG1 THR 66 HG1 THR 66 2.685 -12.674 -5.436 533 HG21 THR 66 1HG2 THR 66 4.427 -10.579 -3.130 534 HG22 THR 66 2HG2 THR 66 4.508 -9.346 -4.413 535 HG23 THR 66 3HG2 THR 66 5.213 -10.946 -4.684 536 H LEU 67 H LEU 67 1.153 -8.010 -2.928 537 HA LEU 67 HA LEU 67 0.872 -6.232 -5.233 538 HB2 LEU 67 HB2 LEU 67 1.119 -5.564 -2.263 539 HB3 LEU 67 HB3 LEU 67 0.811 -4.438 -3.567 540 HG LEU 67 HG LEU 67 -1.197 -6.232 -4.059 541 HD11 LEU 67 1HD1 LEU 67 -0.883 -6.160 -1.026 542 HD12 LEU 67 2HD1 LEU 67 -0.785 -7.601 -2.059 543 HD13 LEU 67 3HD1 LEU 67 -2.316 -6.741 -1.911 544 HD21 LEU 67 3HD2 LEU 67 -1.387 -3.775 -3.855 545 HD22 LEU 67 1HD2 LEU 67 -1.290 -3.907 -2.084 546 HD23 LEU 67 2HD2 LEU 67 -2.679 -4.592 -2.958 547 H HIS 68 H HIS 68 2.288 -4.453 -5.675 548 HA HIS 68 HA HIS 68 5.188 -4.793 -5.041 549 HB2 HIS 68 HB2 HIS 68 3.909 -3.939 -7.653 550 HB3 HIS 68 HB3 HIS 68 5.610 -3.969 -7.314 551 HD1 HIS 68 HD1 HIS 68 3.253 -7.092 -6.838 552 HD2 HIS 68 HD2 HIS 68 6.680 -5.670 -8.830 553 HE1 HIS 68 HE1 HIS 68 4.217 -9.051 -8.107 554 H LEU 69 H LEU 69 6.415 -3.057 -5.547 555 HA LEU 69 HA LEU 69 4.991 -0.593 -4.785 556 HB2 LEU 69 HB2 LEU 69 6.020 -1.734 -2.830 557 HB3 LEU 69 HB3 LEU 69 7.569 -1.583 -3.638 558 HG LEU 69 HG LEU 69 7.500 0.860 -3.393 559 HD11 LEU 69 1HD1 LEU 69 4.928 0.211 -1.885 560 HD12 LEU 69 2HD1 LEU 69 5.080 1.224 -3.332 561 HD13 LEU 69 3HD1 LEU 69 5.754 1.765 -1.792 562 HD21 LEU 69 3HD2 LEU 69 8.616 -0.497 -1.724 563 HD22 LEU 69 1HD2 LEU 69 7.087 -0.719 -0.836 564 HD23 LEU 69 2HD2 LEU 69 7.828 0.890 -0.964 565 H VAL 70 H VAL 70 5.779 1.314 -5.384 566 HA VAL 70 HA VAL 70 8.574 1.311 -6.308 567 HB VAL 70 HB VAL 70 6.911 3.674 -7.155 568 HG11 VAL 70 1HG1 VAL 70 9.292 2.182 -8.424 569 HG12 VAL 70 2HG1 VAL 70 8.498 3.604 -9.101 570 HG13 VAL 70 3HG1 VAL 70 9.394 3.779 -7.646 571 HG21 VAL 70 3HG2 VAL 70 6.441 2.642 -9.352 572 HG22 VAL 70 1HG2 VAL 70 6.888 1.042 -8.692 573 HG23 VAL 70 2HG2 VAL 70 5.519 1.981 -8.027 574 H LEU 71 H LEU 71 9.745 3.214 -5.993 575 HA LEU 71 HA LEU 71 9.052 5.000 -3.821 576 HB2 LEU 71 HB2 LEU 71 11.072 5.157 -6.051 577 HB3 LEU 71 HB3 LEU 71 10.859 6.466 -4.910 578 HG LEU 71 HG LEU 71 11.483 3.673 -3.952 579 HD11 LEU 71 1HD1 LEU 71 13.384 5.978 -4.555 580 HD12 LEU 71 2HD1 LEU 71 13.288 4.445 -5.446 581 HD13 LEU 71 3HD1 LEU 71 13.819 4.447 -3.756 582 HD21 LEU 71 3HD2 LEU 71 12.283 4.906 -1.949 583 HD22 LEU 71 1HD2 LEU 71 10.557 5.161 -2.225 584 HD23 LEU 71 2HD2 LEU 71 11.716 6.429 -2.666 585 H ARG 72 H ARG 72 8.983 7.216 -4.031 586 HA ARG 72 HA ARG 72 7.496 8.402 -6.278 587 HB2 ARG 72 HB2 ARG 72 7.854 9.106 -3.509 588 HB3 ARG 72 HB3 ARG 72 8.742 10.296 -4.431 589 HG2 ARG 72 HG2 ARG 72 6.583 11.200 -4.175 590 HG3 ARG 72 HG3 ARG 72 6.649 10.615 -5.848 591 HD2 ARG 72 HD2 ARG 72 5.552 8.437 -4.844 592 HD3 ARG 72 HD3 ARG 72 5.186 9.439 -3.446 593 HE ARG 72 HE ARG 72 4.364 10.128 -6.274 594 HH11 ARG 72 1HH1 ARG 72 3.333 10.193 -2.832 595 HH12 ARG 72 2HH1 ARG 72 1.978 11.182 -3.327 596 HH21 ARG 72 1HH2 ARG 72 2.590 11.106 -6.645 597 HH22 ARG 72 2HH2 ARG 72 1.534 11.625 -5.345 598 H LEU 73 H LEU 73 8.382 9.950 -7.657 599 HA LEU 73 HA LEU 73 11.189 9.686 -8.377 600 HB2 LEU 73 HB2 LEU 73 9.435 9.969 -10.070 601 HB3 LEU 73 HB3 LEU 73 8.920 11.479 -9.316 602 HG LEU 73 HG LEU 73 11.099 12.531 -9.949 603 HD11 LEU 73 1HD1 LEU 73 12.518 11.413 -11.630 604 HD12 LEU 73 2HD1 LEU 73 11.528 9.945 -11.515 605 HD13 LEU 73 3HD1 LEU 73 12.507 10.470 -10.135 606 HD21 LEU 73 3HD2 LEU 73 9.105 12.776 -11.366 607 HD22 LEU 73 1HD2 LEU 73 9.537 11.294 -12.247 608 HD23 LEU 73 2HD2 LEU 73 10.584 12.727 -12.336 609 H ARG 74 H ARG 74 12.823 11.299 -8.194 610 HA ARG 74 HA ARG 74 12.595 13.282 -6.048 611 HB2 ARG 74 HB2 ARG 74 14.815 12.565 -7.995 612 HB3 ARG 74 HB3 ARG 74 14.875 14.023 -7.005 613 HG2 ARG 74 HG2 ARG 74 14.506 12.586 -4.959 614 HG3 ARG 74 HG3 ARG 74 14.785 11.168 -5.970 615 HD2 ARG 74 HD2 ARG 74 17.045 11.577 -6.184 616 HD3 ARG 74 HD3 ARG 74 16.853 13.324 -6.238 617 HE ARG 74 HE ARG 74 17.520 11.755 -3.920 618 HH11 ARG 74 1HH1 ARG 74 15.760 14.684 -4.759 619 HH12 ARG 74 2HH1 ARG 74 15.698 15.234 -3.107 620 HH21 ARG 74 1HH2 ARG 74 17.742 12.690 -1.962 621 HH22 ARG 74 2HH2 ARG 74 16.812 14.125 -1.550 622 H GLY 75 H GLY 75 10.655 14.290 -6.905 623 HA2 GLY 75 HA2 GLY 75 11.467 16.902 -7.991 624 HA3 GLY 75 HA3 GLY 75 10.311 16.022 -8.995 625 H GLY 76 H GLY 76 10.727 17.982 -6.202 626 HA2 GLY 76 HA2 GLY 76 8.036 18.602 -5.704 627 HA3 GLY 76 HA3 GLY 76 8.439 17.263 -4.630 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -8.145 -10.347 5.954 2 H2 MET 1 H2 MET 1 -7.443 -11.841 6.226 3 H3 MET 1 H3 MET 1 -8.974 -11.722 5.650 4 HA MET 1 HA MET 1 -7.382 -12.350 3.909 5 HB2 MET 1 HB2 MET 1 -9.537 -11.233 3.458 6 HB3 MET 1 HB3 MET 1 -8.756 -9.649 3.499 7 HG2 MET 1 HG2 MET 1 -7.489 -10.105 1.559 8 HG3 MET 1 HG3 MET 1 -7.651 -11.852 1.761 9 HE1 MET 1 HE1 MET 1 -11.003 -12.201 2.077 10 HE2 MET 1 HE2 MET 1 -11.136 -12.734 0.390 11 HE3 MET 1 HE3 MET 1 -9.747 -13.240 1.374 12 H GLN 2 H GLN 2 -5.208 -12.290 4.706 13 HA GLN 2 HA GLN 2 -3.905 -9.772 5.227 14 HB2 GLN 2 HB2 GLN 2 -3.319 -11.820 6.382 15 HB3 GLN 2 HB3 GLN 2 -2.792 -12.580 4.878 16 HG2 GLN 2 HG2 GLN 2 -0.854 -11.266 4.732 17 HG3 GLN 2 HG3 GLN 2 -1.505 -9.988 5.758 18 HE21 GLN 2 1HE2 GLN 2 0.380 -12.923 5.810 19 HE22 GLN 2 2HE2 GLN 2 0.496 -12.969 7.571 20 H ILE 3 H ILE 3 -2.541 -8.553 4.029 21 HA ILE 3 HA ILE 3 -1.992 -9.305 1.191 22 HB ILE 3 HB ILE 3 -2.483 -7.065 0.438 23 HG12 ILE 3 2HG1 ILE 3 -3.506 -6.432 3.240 24 HG13 ILE 3 3HG1 ILE 3 -1.988 -5.850 2.556 25 HG21 ILE 3 1HG2 ILE 3 -4.889 -7.180 0.422 26 HG22 ILE 3 2HG2 ILE 3 -4.269 -8.833 0.443 27 HG23 ILE 3 3HG2 ILE 3 -4.919 -8.113 1.930 28 HD11 ILE 3 3HD1 ILE 3 -3.194 -4.628 0.799 29 HD12 ILE 3 1HD1 ILE 3 -4.744 -5.148 1.494 30 HD13 ILE 3 2HD1 ILE 3 -3.654 -4.117 2.432 31 H PHE 4 H PHE 4 -0.284 -8.014 0.216 32 HA PHE 4 HA PHE 4 1.837 -7.342 2.182 33 HB2 PHE 4 HB2 PHE 4 2.096 -8.827 -0.447 34 HB3 PHE 4 HB3 PHE 4 3.422 -8.393 0.615 35 HD1 PHE 4 HD1 PHE 4 3.337 -9.353 3.079 36 HD2 PHE 4 HD2 PHE 4 0.993 -10.888 -0.202 37 HE1 PHE 4 HE1 PHE 4 3.046 -11.499 4.286 38 HE2 PHE 4 HE2 PHE 4 0.687 -13.025 1.013 39 HZ PHE 4 HZ PHE 4 1.716 -13.342 3.258 40 H VAL 5 H VAL 5 3.426 -5.821 1.572 41 HA VAL 5 HA VAL 5 2.953 -4.321 -0.956 42 HB VAL 5 HB VAL 5 3.860 -2.861 1.507 43 HG11 VAL 5 1HG1 VAL 5 3.246 -0.877 0.190 44 HG12 VAL 5 2HG1 VAL 5 4.498 -1.811 -0.610 45 HG13 VAL 5 3HG1 VAL 5 2.820 -1.917 -1.190 46 HG21 VAL 5 3HG2 VAL 5 1.601 -1.860 1.624 47 HG22 VAL 5 1HG2 VAL 5 1.035 -3.019 0.401 48 HG23 VAL 5 2HG2 VAL 5 1.582 -3.587 1.993 49 H LYS 6 H LYS 6 4.680 -3.822 -2.194 50 HA LYS 6 HA LYS 6 7.354 -4.882 -1.370 51 HB2 LYS 6 HB2 LYS 6 6.583 -5.920 -3.393 52 HB3 LYS 6 HB3 LYS 6 5.830 -4.447 -3.939 53 HG2 LYS 6 HG2 LYS 6 7.482 -4.626 -5.425 54 HG3 LYS 6 HG3 LYS 6 8.157 -3.459 -4.325 55 HD2 LYS 6 HD2 LYS 6 8.836 -6.426 -4.690 56 HD3 LYS 6 HD3 LYS 6 9.840 -5.033 -5.032 57 HE2 LYS 6 HE2 LYS 6 10.863 -5.629 -3.148 58 HE3 LYS 6 HE3 LYS 6 9.644 -4.615 -2.395 59 HZ1 LYS 6 HZ1 LYS 6 9.978 -6.811 -1.356 60 HZ2 LYS 6 HZ2 LYS 6 9.491 -7.581 -2.701 61 HZ3 LYS 6 HZ3 LYS 6 8.419 -6.669 -1.841 62 H THR 7 H THR 7 8.644 -3.327 -0.477 63 HA THR 7 HA THR 7 8.274 -0.560 -1.377 64 HB THR 7 HB THR 7 9.341 0.285 0.372 65 HG1 THR 7 HG1 THR 7 11.062 -0.478 1.332 66 HG21 THR 7 1HG2 THR 7 8.840 -0.851 2.449 67 HG22 THR 7 2HG2 THR 7 8.643 -2.405 1.615 68 HG23 THR 7 3HG2 THR 7 7.490 -1.078 1.321 69 H LEU 8 H LEU 8 10.168 0.808 -1.711 70 HA LEU 8 HA LEU 8 11.492 0.162 -4.140 71 HB2 LEU 8 HB2 LEU 8 12.088 2.221 -1.975 72 HB3 LEU 8 HB3 LEU 8 12.761 2.276 -3.592 73 HG LEU 8 HG LEU 8 9.738 2.263 -3.243 74 HD11 LEU 8 1HD1 LEU 8 11.531 4.702 -3.046 75 HD12 LEU 8 2HD1 LEU 8 10.576 3.999 -1.722 76 HD13 LEU 8 3HD1 LEU 8 9.756 4.691 -3.116 77 HD21 LEU 8 3HD2 LEU 8 10.701 2.040 -5.525 78 HD22 LEU 8 1HD2 LEU 8 11.589 3.560 -5.289 79 HD23 LEU 8 2HD2 LEU 8 9.816 3.555 -5.324 80 H THR 9 H THR 9 12.530 -0.231 -0.768 81 HA THR 9 HA THR 9 15.186 -1.103 -1.643 82 HB THR 9 HB THR 9 14.607 -1.077 1.258 83 HG1 THR 9 HG1 THR 9 15.548 1.264 0.392 84 HG21 THR 9 1HG2 THR 9 16.926 -0.226 1.330 85 HG22 THR 9 2HG2 THR 9 16.988 -0.208 -0.448 86 HG23 THR 9 3HG2 THR 9 16.848 -1.742 0.429 87 H GLY 10 H GLY 10 13.047 -2.798 -2.404 88 HA2 GLY 10 HA2 GLY 10 12.817 -5.077 -2.712 89 HA3 GLY 10 HA3 GLY 10 14.240 -5.330 -1.715 90 H LYS 11 H LYS 11 12.854 -3.875 0.575 91 HA LYS 11 HA LYS 11 11.918 -5.968 2.102 92 HB2 LYS 11 HB2 LYS 11 12.092 -3.087 2.291 93 HB3 LYS 11 HB3 LYS 11 10.545 -3.552 2.930 94 HG2 LYS 11 HG2 LYS 11 13.099 -4.962 3.803 95 HG3 LYS 11 HG3 LYS 11 12.664 -3.398 4.476 96 HD2 LYS 11 HD2 LYS 11 10.938 -5.901 4.660 97 HD3 LYS 11 HD3 LYS 11 11.995 -5.282 5.937 98 HE2 LYS 11 HE2 LYS 11 9.569 -3.858 4.796 99 HE3 LYS 11 HE3 LYS 11 9.616 -4.723 6.331 100 HZ1 LYS 11 HZ1 LYS 11 11.155 -2.252 5.687 101 HZ2 LYS 11 HZ2 LYS 11 11.235 -3.075 7.127 102 HZ3 LYS 11 HZ3 LYS 11 9.842 -2.359 6.660 103 H THR 12 H THR 12 10.010 -6.791 2.784 104 HA THR 12 HA THR 12 7.563 -6.110 1.255 105 HB THR 12 HB THR 12 8.170 -8.794 2.473 106 HG1 THR 12 HG1 THR 12 8.514 -9.424 0.418 107 HG21 THR 12 1HG2 THR 12 5.747 -8.353 2.351 108 HG22 THR 12 2HG2 THR 12 6.217 -9.533 1.129 109 HG23 THR 12 3HG2 THR 12 5.907 -7.848 0.654 110 H ILE 13 H ILE 13 5.877 -5.372 2.340 111 HA ILE 13 HA ILE 13 5.889 -5.346 5.324 112 HB ILE 13 HB ILE 13 3.986 -3.830 3.532 113 HG12 ILE 13 2HG1 ILE 13 6.026 -3.049 2.604 114 HG13 ILE 13 3HG1 ILE 13 5.414 -1.822 3.673 115 HG21 ILE 13 1HG2 ILE 13 3.935 -2.242 5.453 116 HG22 ILE 13 2HG2 ILE 13 3.359 -3.854 5.855 117 HG23 ILE 13 3HG2 ILE 13 4.982 -3.348 6.362 118 HD11 ILE 13 3HD1 ILE 13 7.839 -3.559 3.950 119 HD12 ILE 13 1HD1 ILE 13 7.669 -1.824 4.249 120 HD13 ILE 13 2HD1 ILE 13 7.066 -2.991 5.437 121 H THR 14 H THR 14 4.076 -6.149 6.436 122 HA THR 14 HA THR 14 2.060 -7.688 4.872 123 HB THR 14 HB THR 14 3.111 -8.457 7.594 124 HG1 THR 14 HG1 THR 14 4.425 -9.834 6.602 125 HG21 THR 14 1HG2 THR 14 2.149 -10.660 6.988 126 HG22 THR 14 2HG2 THR 14 1.452 -9.927 5.518 127 HG23 THR 14 3HG2 THR 14 0.925 -9.391 7.132 128 H LEU 15 H LEU 15 -0.055 -7.235 5.195 129 HA LEU 15 HA LEU 15 -0.792 -5.591 7.585 130 HB2 LEU 15 HB2 LEU 15 -1.559 -5.107 4.699 131 HB3 LEU 15 HB3 LEU 15 -2.265 -4.253 6.061 132 HG LEU 15 HG LEU 15 0.699 -4.191 5.405 133 HD11 LEU 15 1HD1 LEU 15 -1.453 -2.142 4.738 134 HD12 LEU 15 2HD1 LEU 15 -0.644 -3.213 3.572 135 HD13 LEU 15 3HD1 LEU 15 0.294 -1.983 4.430 136 HD21 LEU 15 3HD2 LEU 15 0.726 -2.179 6.833 137 HD22 LEU 15 1HD2 LEU 15 0.215 -3.599 7.741 138 HD23 LEU 15 2HD2 LEU 15 -0.998 -2.409 7.207 139 H GLU 16 H GLU 16 -2.713 -5.756 8.427 140 HA GLU 16 HA GLU 16 -4.346 -8.146 7.729 141 HB2 GLU 16 HB2 GLU 16 -3.280 -8.123 9.928 142 HB3 GLU 16 HB3 GLU 16 -4.095 -6.595 10.329 143 HG2 GLU 16 HG2 GLU 16 -6.297 -7.719 10.133 144 HG3 GLU 16 HG3 GLU 16 -5.510 -9.209 9.653 145 H VAL 17 H VAL 17 -6.069 -7.757 6.563 146 HA VAL 17 HA VAL 17 -7.910 -5.489 7.094 147 HB VAL 17 HB VAL 17 -8.011 -4.948 4.704 148 HG11 VAL 17 1HG1 VAL 17 -6.504 -3.641 6.131 149 HG12 VAL 17 2HG1 VAL 17 -5.149 -4.724 5.711 150 HG13 VAL 17 3HG1 VAL 17 -5.928 -3.738 4.457 151 HG21 VAL 17 3HG2 VAL 17 -6.321 -5.688 3.113 152 HG22 VAL 17 1HG2 VAL 17 -5.650 -6.809 4.313 153 HG23 VAL 17 2HG2 VAL 17 -7.297 -7.040 3.681 154 H GLU 18 H GLU 18 -9.923 -5.721 5.994 155 HA GLU 18 HA GLU 18 -10.794 -8.543 5.486 156 HB2 GLU 18 HB2 GLU 18 -12.181 -6.051 6.504 157 HB3 GLU 18 HB3 GLU 18 -13.136 -7.249 5.609 158 HG2 GLU 18 HG2 GLU 18 -11.383 -8.184 7.910 159 HG3 GLU 18 HG3 GLU 18 -12.918 -7.369 8.245 160 HA PRO 19 HA PRO 19 -11.304 -7.616 1.124 161 HB2 PRO 19 HB2 PRO 19 -13.649 -8.919 0.465 162 HB3 PRO 19 HB3 PRO 19 -12.095 -9.759 0.762 163 HG2 PRO 19 HG2 PRO 19 -14.370 -9.307 2.725 164 HG3 PRO 19 HG3 PRO 19 -13.496 -10.846 2.362 165 HD2 PRO 19 HD2 PRO 19 -12.836 -9.346 4.504 166 HD3 PRO 19 HD3 PRO 19 -11.559 -10.098 3.505 167 H SER 20 H SER 20 -13.805 -6.845 3.402 168 HA SER 20 HA SER 20 -15.332 -5.036 1.740 169 HB2 SER 20 HB2 SER 20 -15.253 -5.507 4.736 170 HB3 SER 20 HB3 SER 20 -16.453 -4.503 3.893 171 HG SER 20 HG SER 20 -16.833 -6.952 4.307 172 H ASP 21 H ASP 21 -12.263 -4.642 3.329 173 HA ASP 21 HA ASP 21 -12.584 -1.990 4.287 174 HB2 ASP 21 HB2 ASP 21 -10.129 -3.594 3.620 175 HB3 ASP 21 HB3 ASP 21 -10.049 -1.907 4.081 176 H THR 22 H THR 22 -12.727 -0.117 3.544 177 HA THR 22 HA THR 22 -12.702 0.547 0.728 178 HB THR 22 HB THR 22 -12.577 2.947 2.049 179 HG1 THR 22 HG1 THR 22 -12.816 2.656 4.078 180 HG21 THR 22 1HG2 THR 22 -15.034 2.919 2.078 181 HG22 THR 22 2HG2 THR 22 -15.031 1.155 1.872 182 HG23 THR 22 3HG2 THR 22 -14.414 2.211 0.575 183 H ILE 23 H ILE 23 -11.170 1.929 -0.283 184 HA ILE 23 HA ILE 23 -8.481 1.212 0.206 185 HB ILE 23 HB ILE 23 -9.748 3.357 -1.528 186 HG12 ILE 23 2HG1 ILE 23 -10.305 1.074 -2.203 187 HG13 ILE 23 3HG1 ILE 23 -9.279 1.852 -3.381 188 HG21 ILE 23 1HG2 ILE 23 -7.526 4.167 -1.228 189 HG22 ILE 23 2HG2 ILE 23 -6.821 2.546 -1.453 190 HG23 ILE 23 3HG2 ILE 23 -7.588 3.399 -2.813 191 HD11 ILE 23 3HD1 ILE 23 -8.666 -0.489 -3.113 192 HD12 ILE 23 1HD1 ILE 23 -7.330 0.524 -2.553 193 HD13 ILE 23 2HD1 ILE 23 -8.406 -0.280 -1.381 194 H GLU 24 H GLU 24 -10.241 3.899 1.628 195 HA GLU 24 HA GLU 24 -7.828 5.230 2.594 196 HB2 GLU 24 HB2 GLU 24 -9.324 6.542 4.040 197 HB3 GLU 24 HB3 GLU 24 -9.621 6.654 2.317 198 HG2 GLU 24 HG2 GLU 24 -11.727 6.679 3.383 199 HG3 GLU 24 HG3 GLU 24 -11.583 5.150 2.531 200 H ASN 25 H ASN 25 -10.112 2.884 4.151 201 HA ASN 25 HA ASN 25 -8.900 2.709 6.639 202 HB2 ASN 25 HB2 ASN 25 -10.615 0.981 4.936 203 HB3 ASN 25 HB3 ASN 25 -9.574 0.037 5.984 204 HD21 ASN 25 1HD2 ASN 25 -11.943 2.718 6.014 205 HD22 ASN 25 2HD2 ASN 25 -12.445 2.405 7.674 206 H VAL 26 H VAL 26 -7.910 0.987 3.686 207 HA VAL 26 HA VAL 26 -5.611 -0.272 4.898 208 HB VAL 26 HB VAL 26 -5.987 0.224 1.946 209 HG11 VAL 26 1HG1 VAL 26 -4.725 -1.904 1.753 210 HG12 VAL 26 2HG1 VAL 26 -3.779 -0.675 2.595 211 HG13 VAL 26 3HG1 VAL 26 -4.563 -1.971 3.521 212 HG21 VAL 26 3HG2 VAL 26 -7.090 -2.056 1.941 213 HG22 VAL 26 1HG2 VAL 26 -7.228 -1.937 3.702 214 HG23 VAL 26 2HG2 VAL 26 -8.068 -0.785 2.648 215 H LYS 27 H LYS 27 -5.906 2.684 2.876 216 HA LYS 27 HA LYS 27 -3.091 3.344 3.074 217 HB2 LYS 27 HB2 LYS 27 -5.545 4.733 2.048 218 HB3 LYS 27 HB3 LYS 27 -4.161 5.724 2.439 219 HG2 LYS 27 HG2 LYS 27 -2.731 4.693 0.903 220 HG3 LYS 27 HG3 LYS 27 -3.731 3.239 0.779 221 HD2 LYS 27 HD2 LYS 27 -3.695 4.638 -1.268 222 HD3 LYS 27 HD3 LYS 27 -5.307 4.248 -0.645 223 HE2 LYS 27 HE2 LYS 27 -5.695 6.461 0.096 224 HE3 LYS 27 HE3 LYS 27 -4.000 6.927 -0.025 225 HZ1 LYS 27 HZ1 LYS 27 -5.383 6.086 -2.492 226 HZ2 LYS 27 HZ2 LYS 27 -4.166 7.156 -2.305 227 HZ3 LYS 27 HZ3 LYS 27 -5.689 7.591 -1.880 228 H ALA 28 H ALA 28 -5.587 3.697 5.399 229 HA ALA 28 HA ALA 28 -3.961 5.489 7.083 230 HB1 ALA 28 HB1 ALA 28 -6.551 3.970 7.638 231 HB2 ALA 28 HB2 ALA 28 -5.808 5.197 8.686 232 HB3 ALA 28 HB3 ALA 28 -6.415 5.650 7.084 233 H LYS 29 H LYS 29 -5.085 2.043 7.385 234 HA LYS 29 HA LYS 29 -3.705 1.298 9.705 235 HB2 LYS 29 HB2 LYS 29 -4.404 -0.232 7.168 236 HB3 LYS 29 HB3 LYS 29 -3.580 -1.037 8.496 237 HG2 LYS 29 HG2 LYS 29 -5.401 -0.787 9.989 238 HG3 LYS 29 HG3 LYS 29 -6.204 0.399 8.943 239 HD2 LYS 29 HD2 LYS 29 -6.713 -1.239 7.275 240 HD3 LYS 29 HD3 LYS 29 -5.668 -2.454 8.009 241 HE2 LYS 29 HE2 LYS 29 -8.093 -1.390 9.498 242 HE3 LYS 29 HE3 LYS 29 -8.272 -2.619 8.246 243 HZ1 LYS 29 HZ1 LYS 29 -6.562 -2.944 10.643 244 HZ2 LYS 29 HZ2 LYS 29 -6.778 -4.064 9.449 245 HZ3 LYS 29 HZ3 LYS 29 -8.023 -3.624 10.438 246 H ILE 30 H ILE 30 -2.279 1.548 6.489 247 HA ILE 30 HA ILE 30 0.191 0.272 7.119 248 HB ILE 30 HB ILE 30 -0.760 0.856 4.829 249 HG12 ILE 30 2HG1 ILE 30 2.160 1.572 5.322 250 HG13 ILE 30 3HG1 ILE 30 1.526 -0.069 5.322 251 HG21 ILE 30 1HG2 ILE 30 -0.289 2.959 3.790 252 HG22 ILE 30 2HG2 ILE 30 -1.127 3.306 5.302 253 HG23 ILE 30 3HG2 ILE 30 0.632 3.531 5.193 254 HD11 ILE 30 3HD1 ILE 30 1.564 1.811 2.934 255 HD12 ILE 30 1HD1 ILE 30 2.523 0.343 3.171 256 HD13 ILE 30 2HD1 ILE 30 0.766 0.221 2.956 257 H GLN 31 H GLN 31 -0.829 3.610 7.863 258 HA GLN 31 HA GLN 31 1.911 4.489 8.405 259 HB2 GLN 31 HB2 GLN 31 -0.828 5.747 8.690 260 HB3 GLN 31 HB3 GLN 31 0.561 6.441 9.495 261 HG2 GLN 31 HG2 GLN 31 1.125 7.515 7.615 262 HG3 GLN 31 HG3 GLN 31 1.487 5.972 6.859 263 HE21 GLN 31 1HE2 GLN 31 0.419 5.697 4.894 264 HE22 GLN 31 2HE2 GLN 31 -1.250 6.247 4.676 265 H ASP 32 H ASP 32 -0.516 2.876 10.219 266 HA ASP 32 HA ASP 32 0.843 3.229 12.805 267 HB2 ASP 32 HB2 ASP 32 -1.505 3.040 12.936 268 HB3 ASP 32 HB3 ASP 32 -1.535 1.632 11.894 269 H LYS 33 H LYS 33 0.215 0.384 10.758 270 HA LYS 33 HA LYS 33 1.935 -1.246 12.275 271 HB2 LYS 33 HB2 LYS 33 0.022 -1.541 10.209 272 HB3 LYS 33 HB3 LYS 33 1.456 -2.286 9.559 273 HG2 LYS 33 HG2 LYS 33 0.371 -2.934 12.345 274 HG3 LYS 33 HG3 LYS 33 -0.244 -3.733 10.899 275 HD2 LYS 33 HD2 LYS 33 1.887 -4.753 10.417 276 HD3 LYS 33 HD3 LYS 33 2.696 -3.771 11.630 277 HE2 LYS 33 HE2 LYS 33 2.514 -5.952 12.519 278 HE3 LYS 33 HE3 LYS 33 1.450 -4.900 13.444 279 HZ1 LYS 33 HZ1 LYS 33 0.525 -7.123 12.835 280 HZ2 LYS 33 HZ2 LYS 33 0.496 -6.692 11.273 281 HZ3 LYS 33 HZ3 LYS 33 -0.460 -5.931 12.375 282 H GLU 34 H GLU 34 2.838 0.677 9.468 283 HA GLU 34 HA GLU 34 5.669 -0.205 9.884 284 HB2 GLU 34 HB2 GLU 34 4.637 -1.508 8.031 285 HB3 GLU 34 HB3 GLU 34 4.237 -0.004 7.218 286 HG2 GLU 34 HG2 GLU 34 6.102 -0.844 6.135 287 HG3 GLU 34 HG3 GLU 34 6.708 0.517 7.044 288 H GLY 35 H GLY 35 3.484 2.414 8.894 289 HA2 GLY 35 HA2 GLY 35 3.958 4.695 9.275 290 HA3 GLY 35 HA3 GLY 35 5.659 4.323 9.484 291 H ILE 36 H ILE 36 3.508 3.653 6.680 292 HA ILE 36 HA ILE 36 5.405 5.113 4.892 293 HB ILE 36 HB ILE 36 3.181 3.202 4.151 294 HG12 ILE 36 2HG1 ILE 36 4.725 1.909 5.483 295 HG13 ILE 36 3HG1 ILE 36 4.849 1.461 3.796 296 HG21 ILE 36 1HG2 ILE 36 4.353 3.004 2.000 297 HG22 ILE 36 2HG2 ILE 36 3.828 4.661 2.302 298 HG23 ILE 36 3HG2 ILE 36 5.534 4.217 2.526 299 HD11 ILE 36 3HD1 ILE 36 7.056 1.538 4.849 300 HD12 ILE 36 1HD1 ILE 36 6.958 2.769 3.585 301 HD13 ILE 36 2HD1 ILE 36 6.826 3.235 5.300 302 HA PRO 37 HA PRO 37 1.832 8.005 5.004 303 HB2 PRO 37 HB2 PRO 37 3.089 10.407 5.084 304 HB3 PRO 37 HB3 PRO 37 3.063 9.301 6.492 305 HG2 PRO 37 HG2 PRO 37 5.250 9.586 4.396 306 HG3 PRO 37 HG3 PRO 37 5.420 9.644 6.181 307 HD2 PRO 37 HD2 PRO 37 5.856 7.341 4.789 308 HD3 PRO 37 HD3 PRO 37 5.069 7.360 6.400 309 HA PRO 38 HA PRO 38 1.411 9.091 0.699 310 HB2 PRO 38 HB2 PRO 38 -0.469 11.081 0.754 311 HB3 PRO 38 HB3 PRO 38 -0.839 9.375 1.145 312 HG2 PRO 38 HG2 PRO 38 -0.196 11.626 3.085 313 HG3 PRO 38 HG3 PRO 38 -1.585 10.493 3.134 314 HD2 PRO 38 HD2 PRO 38 0.644 10.030 4.601 315 HD3 PRO 38 HD3 PRO 38 -0.203 8.683 3.789 316 H ASP 39 H ASP 39 2.469 11.547 2.993 317 HA ASP 39 HA ASP 39 3.344 13.382 0.961 318 HB2 ASP 39 HB2 ASP 39 3.580 13.434 3.901 319 HB3 ASP 39 HB3 ASP 39 4.664 14.428 2.941 320 H GLN 40 H GLN 40 4.526 10.472 1.375 321 HA GLN 40 HA GLN 40 7.313 11.246 0.487 322 HB2 GLN 40 HB2 GLN 40 6.935 10.598 2.925 323 HB3 GLN 40 HB3 GLN 40 6.636 8.982 2.293 324 HG2 GLN 40 HG2 GLN 40 8.951 9.727 0.926 325 HG3 GLN 40 HG3 GLN 40 9.143 10.638 2.419 326 HE21 GLN 40 1HE2 GLN 40 11.032 8.877 1.874 327 HE22 GLN 40 2HE2 GLN 40 10.738 7.350 2.685 328 H ASN 41 H ASN 41 4.814 8.617 0.377 329 HA ASN 41 HA ASN 41 5.836 7.784 -2.278 330 HB2 ASN 41 HB2 ASN 41 5.737 5.390 -0.751 331 HB3 ASN 41 HB3 ASN 41 7.045 6.077 -1.604 332 HD21 ASN 41 1HD2 ASN 41 5.585 6.474 1.680 333 HD22 ASN 41 2HD2 ASN 41 7.205 6.686 2.369 334 H ARG 42 H ARG 42 4.314 5.812 -3.096 335 HA ARG 42 HA ARG 42 1.557 6.069 -2.123 336 HB2 ARG 42 HB2 ARG 42 0.609 6.932 -4.138 337 HB3 ARG 42 HB3 ARG 42 1.832 8.051 -3.556 338 HG2 ARG 42 HG2 ARG 42 3.423 7.122 -5.306 339 HG3 ARG 42 HG3 ARG 42 2.083 6.139 -5.919 340 HD2 ARG 42 HD2 ARG 42 0.745 8.286 -6.187 341 HD3 ARG 42 HD3 ARG 42 2.212 9.175 -5.776 342 HE ARG 42 HE ARG 42 1.948 7.350 -8.157 343 HH11 ARG 42 1HH1 ARG 42 2.708 10.593 -7.056 344 HH12 ARG 42 2HH1 ARG 42 3.368 11.031 -8.594 345 HH21 ARG 42 1HH2 ARG 42 2.673 8.020 -10.065 346 HH22 ARG 42 2HH2 ARG 42 3.324 9.627 -10.265 347 H LEU 43 H LEU 43 0.269 4.382 -2.620 348 HA LEU 43 HA LEU 43 1.632 1.912 -3.248 349 HB2 LEU 43 HB2 LEU 43 -1.220 2.681 -2.508 350 HB3 LEU 43 HB3 LEU 43 -0.838 1.049 -3.015 351 HG LEU 43 HG LEU 43 -0.967 1.239 -0.607 352 HD11 LEU 43 1HD1 LEU 43 0.483 -0.474 -1.665 353 HD12 LEU 43 2HD1 LEU 43 1.018 0.004 -0.046 354 HD13 LEU 43 3HD1 LEU 43 1.877 0.609 -1.479 355 HD21 LEU 43 3HD2 LEU 43 -0.090 3.545 -0.306 356 HD22 LEU 43 1HD2 LEU 43 1.548 2.947 -0.678 357 HD23 LEU 43 2HD2 LEU 43 0.683 2.356 0.749 358 H ILE 44 H ILE 44 1.809 0.817 -5.047 359 HA ILE 44 HA ILE 44 -0.147 1.336 -7.301 360 HB ILE 44 HB ILE 44 2.640 0.157 -7.455 361 HG12 ILE 44 2HG1 ILE 44 2.869 2.475 -6.897 362 HG13 ILE 44 3HG1 ILE 44 3.344 2.193 -8.566 363 HG21 ILE 44 1HG2 ILE 44 2.375 0.547 -9.926 364 HG22 ILE 44 2HG2 ILE 44 1.309 -0.702 -9.285 365 HG23 ILE 44 3HG2 ILE 44 0.664 0.917 -9.638 366 HD11 ILE 44 3HD1 ILE 44 0.721 3.450 -7.678 367 HD12 ILE 44 1HD1 ILE 44 2.125 4.304 -8.336 368 HD13 ILE 44 2HD1 ILE 44 1.222 3.181 -9.366 369 H PHE 45 H PHE 45 -1.274 -0.357 -8.267 370 HA PHE 45 HA PHE 45 -0.362 -3.080 -7.763 371 HB2 PHE 45 HB2 PHE 45 -1.809 -3.005 -5.942 372 HB3 PHE 45 HB3 PHE 45 -3.071 -2.214 -6.874 373 HD1 PHE 45 HD2 PHE 45 -4.522 -3.454 -8.447 374 HD2 PHE 45 HD1 PHE 45 -1.548 -5.440 -6.029 375 HE1 PHE 45 HE2 PHE 45 -5.684 -5.621 -8.784 376 HE2 PHE 45 HE1 PHE 45 -2.723 -7.607 -6.379 377 HZ PHE 45 HZ PHE 45 -4.792 -7.692 -7.739 378 H ALA 46 H ALA 46 -0.536 -4.480 -9.453 379 HA ALA 46 HA ALA 46 -0.347 -4.831 -11.698 380 HB1 ALA 46 HB1 ALA 46 -3.258 -3.953 -11.625 381 HB2 ALA 46 HB2 ALA 46 -2.491 -4.961 -12.865 382 HB3 ALA 46 HB3 ALA 46 -2.643 -5.566 -11.202 383 H GLY 47 H GLY 47 0.867 -2.443 -11.152 384 HA2 GLY 47 HA2 GLY 47 1.757 -0.573 -12.190 385 HA3 GLY 47 HA3 GLY 47 0.809 -0.962 -13.623 386 H LYS 48 H LYS 48 -1.626 -0.828 -11.657 387 HA LYS 48 HA LYS 48 -2.399 1.888 -12.355 388 HB2 LYS 48 HB2 LYS 48 -3.568 -0.599 -12.362 389 HB3 LYS 48 HB3 LYS 48 -4.191 -0.015 -10.846 390 HG2 LYS 48 HG2 LYS 48 -4.453 1.584 -13.440 391 HG3 LYS 48 HG3 LYS 48 -5.505 0.224 -13.071 392 HD2 LYS 48 HD2 LYS 48 -6.062 1.391 -10.864 393 HD3 LYS 48 HD3 LYS 48 -5.268 2.824 -11.520 394 HE2 LYS 48 HE2 LYS 48 -7.642 3.039 -11.923 395 HE3 LYS 48 HE3 LYS 48 -6.836 2.786 -13.471 396 HZ1 LYS 48 HZ1 LYS 48 -7.534 0.447 -13.369 397 HZ2 LYS 48 HZ2 LYS 48 -8.829 1.425 -13.302 398 HZ3 LYS 48 HZ3 LYS 48 -8.312 0.701 -11.938 399 H GLN 49 H GLN 49 -3.124 3.476 -10.913 400 HA GLN 49 HA GLN 49 -2.026 3.386 -8.167 401 HB2 GLN 49 HB2 GLN 49 -3.297 5.619 -9.813 402 HB3 GLN 49 HB3 GLN 49 -2.721 5.804 -8.143 403 HG2 GLN 49 HG2 GLN 49 -0.462 5.067 -8.831 404 HG3 GLN 49 HG3 GLN 49 -0.991 4.950 -10.515 405 HE21 GLN 49 1HE2 GLN 49 -2.589 7.621 -10.196 406 HE22 GLN 49 2HE2 GLN 49 -1.281 8.776 -10.299 407 H LEU 50 H LEU 50 -3.227 3.820 -6.278 408 HA LEU 50 HA LEU 50 -6.026 2.770 -6.403 409 HB2 LEU 50 HB2 LEU 50 -3.954 2.522 -4.196 410 HB3 LEU 50 HB3 LEU 50 -5.582 1.857 -4.188 411 HG LEU 50 HG LEU 50 -3.313 1.038 -6.055 412 HD11 LEU 50 1HD1 LEU 50 -3.474 -1.083 -4.833 413 HD12 LEU 50 2HD1 LEU 50 -4.767 -0.424 -3.814 414 HD13 LEU 50 3HD1 LEU 50 -3.128 0.256 -3.724 415 HD21 LEU 50 3HD2 LEU 50 -6.182 0.021 -5.880 416 HD22 LEU 50 1HD2 LEU 50 -4.877 -0.792 -6.764 417 HD23 LEU 50 2HD2 LEU 50 -5.415 0.801 -7.284 418 H GLU 51 H GLU 51 -7.390 4.374 -6.308 419 HA GLU 51 HA GLU 51 -6.822 6.772 -4.746 420 HB2 GLU 51 HB2 GLU 51 -7.283 6.748 -7.197 421 HB3 GLU 51 HB3 GLU 51 -8.958 6.277 -6.826 422 HG2 GLU 51 HG2 GLU 51 -9.346 8.376 -5.670 423 HG3 GLU 51 HG3 GLU 51 -7.615 8.791 -5.708 424 H ASP 52 H ASP 52 -8.034 7.585 -3.168 425 HA ASP 52 HA ASP 52 -9.569 5.834 -1.581 426 HB2 ASP 52 HB2 ASP 52 -10.061 8.243 -0.412 427 HB3 ASP 52 HB3 ASP 52 -8.662 7.198 -0.135 428 H GLY 53 H GLY 53 -11.573 5.311 -1.409 429 HA2 GLY 53 HA2 GLY 53 -13.937 6.315 -1.353 430 HA3 GLY 53 HA3 GLY 53 -13.640 6.719 -3.048 431 H ARG 54 H ARG 54 -12.167 4.136 -3.537 432 HA ARG 54 HA ARG 54 -14.508 2.325 -3.864 433 HB2 ARG 54 HB2 ARG 54 -11.603 1.893 -4.700 434 HB3 ARG 54 HB3 ARG 54 -13.002 0.928 -5.160 435 HG2 ARG 54 HG2 ARG 54 -13.915 3.152 -6.223 436 HG3 ARG 54 HG3 ARG 54 -12.226 3.682 -6.125 437 HD2 ARG 54 HD2 ARG 54 -11.588 1.507 -7.293 438 HD3 ARG 54 HD3 ARG 54 -13.312 1.179 -7.456 439 HE ARG 54 HE ARG 54 -12.410 3.738 -8.649 440 HH11 ARG 54 1HH1 ARG 54 -13.306 0.381 -9.300 441 HH12 ARG 54 2HH1 ARG 54 -13.102 0.583 -10.998 442 HH21 ARG 54 1HH2 ARG 54 -12.469 3.941 -10.816 443 HH22 ARG 54 2HH2 ARG 54 -12.770 2.563 -11.845 444 H THR 55 H THR 55 -13.919 -0.116 -3.504 445 HA THR 55 HA THR 55 -12.391 -0.516 -1.000 446 HB THR 55 HB THR 55 -13.564 -2.290 -0.273 447 HG1 THR 55 HG1 THR 55 -14.916 -3.489 -1.514 448 HG21 THR 55 1HG2 THR 55 -15.033 -0.260 -0.165 449 HG22 THR 55 2HG2 THR 55 -15.913 -1.791 -0.208 450 HG23 THR 55 3HG2 THR 55 -15.815 -0.789 -1.675 451 H LEU 56 H LEU 56 -11.225 -2.555 -0.757 452 HA LEU 56 HA LEU 56 -9.208 -2.989 -2.668 453 HB2 LEU 56 HB2 LEU 56 -10.576 -4.808 -0.659 454 HB3 LEU 56 HB3 LEU 56 -9.146 -5.332 -1.537 455 HG LEU 56 HG LEU 56 -9.172 -2.913 0.327 456 HD11 LEU 56 1HD1 LEU 56 -9.532 -5.061 1.512 457 HD12 LEU 56 2HD1 LEU 56 -7.957 -4.366 1.881 458 HD13 LEU 56 3HD1 LEU 56 -8.078 -5.734 0.745 459 HD21 LEU 56 3HD2 LEU 56 -6.967 -4.399 -1.164 460 HD22 LEU 56 1HD2 LEU 56 -6.654 -3.270 0.154 461 HD23 LEU 56 2HD2 LEU 56 -7.418 -2.683 -1.324 462 H SER 57 H SER 57 -12.197 -4.927 -2.264 463 HA SER 57 HA SER 57 -11.617 -6.768 -4.309 464 HB2 SER 57 HB2 SER 57 -13.309 -7.056 -2.486 465 HB3 SER 57 HB3 SER 57 -14.381 -5.935 -3.354 466 HG SER 57 HG SER 57 -14.006 -7.464 -5.205 467 H ASP 58 H ASP 58 -12.923 -3.500 -4.686 468 HA ASP 58 HA ASP 58 -13.950 -4.152 -7.415 469 HB2 ASP 58 HB2 ASP 58 -15.115 -2.405 -5.993 470 HB3 ASP 58 HB3 ASP 58 -13.690 -1.382 -6.204 471 H TYR 59 H TYR 59 -11.042 -2.819 -5.936 472 HA TYR 59 HA TYR 59 -9.797 -2.334 -8.526 473 HB2 TYR 59 HB2 TYR 59 -8.801 -2.180 -5.721 474 HB3 TYR 59 HB3 TYR 59 -7.661 -2.345 -7.039 475 HD1 TYR 59 HD2 TYR 59 -7.674 -0.732 -8.954 476 HD2 TYR 59 HD1 TYR 59 -9.704 0.015 -5.232 477 HE1 TYR 59 HE2 TYR 59 -7.549 1.740 -9.366 478 HE2 TYR 59 HE1 TYR 59 -9.525 2.494 -5.644 479 HH TYR 59 HH TYR 59 -7.848 3.790 -8.508 480 H ASN 60 H ASN 60 -10.962 -5.052 -7.478 481 HA ASN 60 HA ASN 60 -10.583 -7.241 -7.582 482 HB2 ASN 60 HB2 ASN 60 -10.560 -6.585 -10.004 483 HB3 ASN 60 HB3 ASN 60 -8.797 -6.612 -9.951 484 HD21 ASN 60 1HD2 ASN 60 -7.802 -8.623 -10.210 485 HD22 ASN 60 2HD2 ASN 60 -8.708 -10.129 -10.328 486 H ILE 61 H ILE 61 -9.061 -5.962 -5.642 487 HA ILE 61 HA ILE 61 -6.451 -7.368 -5.555 488 HB ILE 61 HB ILE 61 -7.678 -5.527 -3.471 489 HG12 ILE 61 2HG1 ILE 61 -5.863 -4.798 -5.801 490 HG13 ILE 61 3HG1 ILE 61 -7.518 -4.272 -5.563 491 HG21 ILE 61 1HG2 ILE 61 -5.833 -7.048 -2.732 492 HG22 ILE 61 2HG2 ILE 61 -4.793 -6.346 -3.997 493 HG23 ILE 61 3HG2 ILE 61 -5.372 -5.351 -2.645 494 HD11 ILE 61 3HD1 ILE 61 -6.853 -3.012 -3.545 495 HD12 ILE 61 1HD1 ILE 61 -5.151 -3.444 -3.857 496 HD13 ILE 61 2HD1 ILE 61 -6.044 -2.466 -5.021 497 H GLN 62 H GLN 62 -6.575 -9.430 -5.006 498 HA GLN 62 HA GLN 62 -8.706 -10.419 -3.153 499 HB2 GLN 62 HB2 GLN 62 -8.290 -12.628 -4.153 500 HB3 GLN 62 HB3 GLN 62 -8.874 -11.436 -5.286 501 HG2 GLN 62 HG2 GLN 62 -5.945 -12.270 -5.053 502 HG3 GLN 62 HG3 GLN 62 -7.108 -13.018 -6.154 503 HE21 GLN 62 1HE2 GLN 62 -8.385 -11.246 -7.618 504 HE22 GLN 62 2HE2 GLN 62 -7.419 -9.820 -7.974 505 H LYS 63 H LYS 63 -7.977 -12.575 -1.979 506 HA LYS 63 HA LYS 63 -6.226 -11.859 0.097 507 HB2 LYS 63 HB2 LYS 63 -6.443 -14.049 0.920 508 HB3 LYS 63 HB3 LYS 63 -7.958 -13.688 0.111 509 HG2 LYS 63 HG2 LYS 63 -7.460 -15.048 -1.819 510 HG3 LYS 63 HG3 LYS 63 -5.784 -15.261 -1.323 511 HD2 LYS 63 HD2 LYS 63 -6.785 -16.337 0.837 512 HD3 LYS 63 HD3 LYS 63 -8.245 -16.550 -0.135 513 HE2 LYS 63 HE2 LYS 63 -5.433 -17.476 -0.911 514 HE3 LYS 63 HE3 LYS 63 -6.563 -18.490 -0.029 515 HZ1 LYS 63 HZ1 LYS 63 -6.594 -18.994 -2.367 516 HZ2 LYS 63 HZ2 LYS 63 -7.033 -17.472 -2.789 517 HZ3 LYS 63 HZ3 LYS 63 -8.061 -18.429 -1.935 518 H GLU 64 H GLU 64 -4.151 -12.194 0.694 519 HA GLU 64 HA GLU 64 -1.953 -12.156 0.450 520 HB2 GLU 64 HB2 GLU 64 -2.344 -14.627 -1.249 521 HB3 GLU 64 HB3 GLU 64 -0.829 -14.051 -0.630 522 HG2 GLU 64 HG2 GLU 64 -1.208 -15.419 1.082 523 HG3 GLU 64 HG3 GLU 64 -2.069 -14.033 1.725 524 H SER 65 H SER 65 -3.558 -10.626 -1.674 525 HA SER 65 HA SER 65 -1.984 -10.233 -3.954 526 HB2 SER 65 HB2 SER 65 -3.570 -8.256 -2.283 527 HB3 SER 65 HB3 SER 65 -2.716 -7.788 -3.767 528 HG SER 65 HG SER 65 -4.806 -9.648 -3.463 529 H THR 66 H THR 66 -0.065 -9.381 -4.430 530 HA THR 66 HA THR 66 1.440 -7.873 -2.345 531 HB THR 66 HB THR 66 2.608 -9.182 -4.801 532 HG1 THR 66 HG1 THR 66 1.722 -10.595 -3.142 533 HG21 THR 66 1HG2 THR 66 3.993 -7.323 -3.940 534 HG22 THR 66 2HG2 THR 66 4.742 -8.888 -3.583 535 HG23 THR 66 3HG2 THR 66 3.893 -7.996 -2.296 536 H LEU 67 H LEU 67 0.671 -5.925 -2.448 537 HA LEU 67 HA LEU 67 0.440 -4.344 -4.884 538 HB2 LEU 67 HB2 LEU 67 0.687 -3.534 -1.948 539 HB3 LEU 67 HB3 LEU 67 0.389 -2.455 -3.302 540 HG LEU 67 HG LEU 67 -1.662 -4.110 -3.768 541 HD11 LEU 67 1HD1 LEU 67 -1.285 -4.346 -0.751 542 HD12 LEU 67 2HD1 LEU 67 -1.278 -5.685 -1.911 543 HD13 LEU 67 3HD1 LEU 67 -2.762 -4.775 -1.648 544 HD21 LEU 67 3HD2 LEU 67 -3.078 -2.546 -2.522 545 HD22 LEU 67 1HD2 LEU 67 -1.748 -1.674 -3.300 546 HD23 LEU 67 2HD2 LEU 67 -1.681 -2.008 -1.557 547 H HIS 68 H HIS 68 1.879 -2.730 -5.542 548 HA HIS 68 HA HIS 68 4.735 -2.880 -4.654 549 HB2 HIS 68 HB2 HIS 68 3.577 -1.847 -7.248 550 HB3 HIS 68 HB3 HIS 68 5.253 -1.784 -6.770 551 HD1 HIS 68 HD1 HIS 68 3.210 -5.097 -6.561 552 HD2 HIS 68 HD2 HIS 68 6.301 -3.181 -8.697 553 HE1 HIS 68 HE1 HIS 68 4.212 -6.855 -8.111 554 H LEU 69 H LEU 69 5.822 -1.058 -4.645 555 HA LEU 69 HA LEU 69 4.088 1.233 -3.910 556 HB2 LEU 69 HB2 LEU 69 5.419 0.194 -2.066 557 HB3 LEU 69 HB3 LEU 69 6.862 0.601 -2.965 558 HG LEU 69 HG LEU 69 6.432 2.991 -2.618 559 HD11 LEU 69 1HD1 LEU 69 3.974 2.946 -2.461 560 HD12 LEU 69 2HD1 LEU 69 4.619 3.592 -0.955 561 HD13 LEU 69 3HD1 LEU 69 4.059 1.920 -1.022 562 HD21 LEU 69 3HD2 LEU 69 6.862 3.020 -0.205 563 HD22 LEU 69 1HD2 LEU 69 7.821 1.797 -1.042 564 HD23 LEU 69 2HD2 LEU 69 6.387 1.308 -0.098 565 H VAL 70 H VAL 70 4.683 3.266 -4.563 566 HA VAL 70 HA VAL 70 7.477 3.412 -5.425 567 HB VAL 70 HB VAL 70 5.657 5.531 -6.555 568 HG11 VAL 70 1HG1 VAL 70 8.484 4.539 -7.191 569 HG12 VAL 70 2HG1 VAL 70 7.534 5.489 -8.350 570 HG13 VAL 70 3HG1 VAL 70 7.968 6.247 -6.848 571 HG21 VAL 70 3HG2 VAL 70 5.675 4.382 -8.748 572 HG22 VAL 70 1HG2 VAL 70 6.284 2.907 -7.926 573 HG23 VAL 70 2HG2 VAL 70 4.700 3.633 -7.490 574 H LEU 71 H LEU 71 8.439 5.463 -5.167 575 HA LEU 71 HA LEU 71 7.788 7.300 -3.111 576 HB2 LEU 71 HB2 LEU 71 9.700 6.972 -5.094 577 HB3 LEU 71 HB3 LEU 71 8.910 8.403 -5.589 578 HG LEU 71 HG LEU 71 11.056 8.484 -4.277 579 HD11 LEU 71 1HD1 LEU 71 10.632 10.525 -3.139 580 HD12 LEU 71 2HD1 LEU 71 8.898 10.233 -3.091 581 HD13 LEU 71 3HD1 LEU 71 9.732 10.501 -4.651 582 HD21 LEU 71 3HD2 LEU 71 10.482 6.887 -2.482 583 HD22 LEU 71 1HD2 LEU 71 9.361 8.078 -1.796 584 HD23 LEU 71 2HD2 LEU 71 11.087 8.437 -1.890 585 H ARG 72 H ARG 72 7.232 9.442 -3.353 586 HA ARG 72 HA ARG 72 4.897 10.137 -4.854 587 HB2 ARG 72 HB2 ARG 72 6.937 11.621 -3.197 588 HB3 ARG 72 HB3 ARG 72 5.902 12.556 -4.251 589 HG2 ARG 72 HG2 ARG 72 4.375 10.565 -2.679 590 HG3 ARG 72 HG3 ARG 72 5.271 11.688 -1.670 591 HD2 ARG 72 HD2 ARG 72 3.595 12.769 -3.948 592 HD3 ARG 72 HD3 ARG 72 2.827 12.241 -2.457 593 HE ARG 72 HE ARG 72 5.008 14.309 -2.492 594 HH11 ARG 72 1HH1 ARG 72 1.922 13.287 -1.146 595 HH12 ARG 72 2HH1 ARG 72 1.885 14.690 -0.106 596 HH21 ARG 72 1HH2 ARG 72 4.854 15.913 -0.891 597 HH22 ARG 72 2HH2 ARG 72 3.384 15.968 0.067 598 H LEU 73 H LEU 73 8.260 10.298 -5.910 599 HA LEU 73 HA LEU 73 7.395 11.327 -8.521 600 HB2 LEU 73 HB2 LEU 73 7.624 13.300 -7.027 601 HB3 LEU 73 HB3 LEU 73 9.300 12.898 -6.727 602 HG LEU 73 HG LEU 73 8.591 13.161 -9.620 603 HD11 LEU 73 1HD1 LEU 73 8.492 15.598 -7.801 604 HD12 LEU 73 2HD1 LEU 73 7.127 14.905 -8.714 605 HD13 LEU 73 3HD1 LEU 73 8.498 15.614 -9.577 606 HD21 LEU 73 3HD2 LEU 73 10.661 14.449 -9.696 607 HD22 LEU 73 1HD2 LEU 73 10.961 12.997 -8.738 608 HD23 LEU 73 2HD2 LEU 73 10.723 14.553 -7.927 609 H ARG 74 H ARG 74 9.133 11.338 -10.120 610 HA ARG 74 HA ARG 74 11.666 10.007 -9.499 611 HB2 ARG 74 HB2 ARG 74 11.518 8.485 -11.436 612 HB3 ARG 74 HB3 ARG 74 10.360 8.064 -10.182 613 HG2 ARG 74 HG2 ARG 74 8.496 8.757 -11.476 614 HG3 ARG 74 HG3 ARG 74 9.474 9.810 -12.487 615 HD2 ARG 74 HD2 ARG 74 8.944 8.100 -13.921 616 HD3 ARG 74 HD3 ARG 74 10.601 7.769 -13.446 617 HE ARG 74 HE ARG 74 8.301 6.344 -12.129 618 HH11 ARG 74 1HH1 ARG 74 10.972 6.099 -14.376 619 HH12 ARG 74 2HH1 ARG 74 10.895 4.368 -14.401 620 HH21 ARG 74 1HH2 ARG 74 8.170 4.056 -12.455 621 HH22 ARG 74 2HH2 ARG 74 9.663 3.284 -12.934 622 H GLY 75 H GLY 75 13.321 10.550 -11.050 623 HA2 GLY 75 HA2 GLY 75 14.308 11.747 -12.813 624 HA3 GLY 75 HA3 GLY 75 12.714 12.291 -13.335 625 H GLY 76 H GLY 76 13.128 14.460 -13.557 626 HA2 GLY 76 HA2 GLY 76 13.101 16.263 -11.377 627 HA3 GLY 76 HA3 GLY 76 14.763 16.125 -11.973 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -7.649 -10.656 6.539 2 H2 MET 1 H2 MET 1 -7.138 -12.208 6.744 3 H3 MET 1 H3 MET 1 -8.591 -11.917 6.052 4 HA MET 1 HA MET 1 -6.976 -12.506 4.333 5 HB2 MET 1 HB2 MET 1 -8.739 -10.539 4.010 6 HB3 MET 1 HB3 MET 1 -7.304 -9.526 4.020 7 HG2 MET 1 HG2 MET 1 -7.166 -9.983 1.836 8 HG3 MET 1 HG3 MET 1 -6.499 -11.534 2.317 9 HE1 MET 1 HE1 MET 1 -9.596 -12.752 3.527 10 HE2 MET 1 HE2 MET 1 -9.899 -13.752 2.099 11 HE3 MET 1 HE3 MET 1 -8.271 -13.704 2.809 12 H GLN 2 H GLN 2 -4.853 -12.874 4.312 13 HA GLN 2 HA GLN 2 -2.978 -10.887 5.488 14 HB2 GLN 2 HB2 GLN 2 -3.060 -13.228 6.277 15 HB3 GLN 2 HB3 GLN 2 -2.614 -13.799 4.666 16 HG2 GLN 2 HG2 GLN 2 -0.429 -12.779 4.832 17 HG3 GLN 2 HG3 GLN 2 -0.878 -11.901 6.306 18 HE21 GLN 2 1HE2 GLN 2 1.411 -13.675 6.150 19 HE22 GLN 2 2HE2 GLN 2 1.051 -15.032 7.226 20 H ILE 3 H ILE 3 -1.706 -9.655 4.150 21 HA ILE 3 HA ILE 3 -1.338 -10.437 1.293 22 HB ILE 3 HB ILE 3 -1.893 -8.210 0.514 23 HG12 ILE 3 2HG1 ILE 3 -2.854 -7.566 3.337 24 HG13 ILE 3 3HG1 ILE 3 -1.389 -6.934 2.581 25 HG21 ILE 3 1HG2 ILE 3 -4.261 -9.300 2.082 26 HG22 ILE 3 2HG2 ILE 3 -4.286 -8.385 0.557 27 HG23 ILE 3 3HG2 ILE 3 -3.629 -10.015 0.577 28 HD11 ILE 3 3HD1 ILE 3 -4.229 -6.365 1.668 29 HD12 ILE 3 1HD1 ILE 3 -3.105 -5.256 2.465 30 HD13 ILE 3 2HD1 ILE 3 -2.755 -5.834 0.824 31 H PHE 4 H PHE 4 0.365 -9.238 0.178 32 HA PHE 4 HA PHE 4 2.547 -8.518 2.059 33 HB2 PHE 4 HB2 PHE 4 2.656 -10.161 -0.481 34 HB3 PHE 4 HB3 PHE 4 4.039 -9.698 0.487 35 HD1 PHE 4 HD1 PHE 4 3.896 -10.403 3.095 36 HD2 PHE 4 HD2 PHE 4 1.658 -12.252 -0.100 37 HE1 PHE 4 HE1 PHE 4 3.611 -12.442 4.468 38 HE2 PHE 4 HE2 PHE 4 1.367 -14.288 1.289 39 HZ PHE 4 HZ PHE 4 2.332 -14.387 3.575 40 H VAL 5 H VAL 5 4.107 -6.982 1.484 41 HA VAL 5 HA VAL 5 3.749 -5.630 -1.145 42 HB VAL 5 HB VAL 5 4.821 -4.109 1.199 43 HG11 VAL 5 1HG1 VAL 5 4.152 -2.174 -0.173 44 HG12 VAL 5 2HG1 VAL 5 5.333 -3.178 -0.999 45 HG13 VAL 5 3HG1 VAL 5 3.618 -3.273 -1.467 46 HG21 VAL 5 3HG2 VAL 5 2.556 -4.734 1.878 47 HG22 VAL 5 1HG2 VAL 5 2.599 -3.032 1.417 48 HG23 VAL 5 2HG2 VAL 5 1.918 -4.233 0.295 49 H LYS 6 H LYS 6 5.425 -5.210 -2.435 50 HA LYS 6 HA LYS 6 8.051 -6.482 -1.790 51 HB2 LYS 6 HB2 LYS 6 7.000 -7.458 -3.699 52 HB3 LYS 6 HB3 LYS 6 6.456 -5.909 -4.293 53 HG2 LYS 6 HG2 LYS 6 8.080 -6.665 -5.761 54 HG3 LYS 6 HG3 LYS 6 8.730 -5.253 -4.935 55 HD2 LYS 6 HD2 LYS 6 10.308 -6.635 -3.709 56 HD3 LYS 6 HD3 LYS 6 9.326 -8.095 -3.949 57 HE2 LYS 6 HE2 LYS 6 9.787 -7.975 -6.413 58 HE3 LYS 6 HE3 LYS 6 10.893 -6.631 -6.118 59 HZ1 LYS 6 HZ1 LYS 6 12.344 -8.077 -4.939 60 HZ2 LYS 6 HZ2 LYS 6 11.942 -8.884 -6.299 61 HZ3 LYS 6 HZ3 LYS 6 11.247 -9.322 -4.904 62 H THR 7 H THR 7 9.261 -4.963 -0.810 63 HA THR 7 HA THR 7 9.331 -2.181 -1.769 64 HB THR 7 HB THR 7 10.946 -1.850 0.062 65 HG1 THR 7 HG1 THR 7 10.665 -4.417 1.015 66 HG21 THR 7 1HG2 THR 7 9.638 -2.449 2.023 67 HG22 THR 7 2HG2 THR 7 8.655 -3.587 1.076 68 HG23 THR 7 3HG2 THR 7 8.565 -1.847 0.751 69 H LEU 8 H LEU 8 11.530 -1.182 -2.101 70 HA LEU 8 HA LEU 8 12.807 -2.292 -4.390 71 HB2 LEU 8 HB2 LEU 8 13.550 -0.040 -2.464 72 HB3 LEU 8 HB3 LEU 8 14.533 -0.452 -3.849 73 HG LEU 8 HG LEU 8 13.201 1.473 -4.321 74 HD11 LEU 8 1HD1 LEU 8 13.740 -0.097 -6.168 75 HD12 LEU 8 2HD1 LEU 8 12.274 0.849 -6.458 76 HD13 LEU 8 3HD1 LEU 8 12.142 -0.850 -5.974 77 HD21 LEU 8 3HD2 LEU 8 11.228 0.992 -2.877 78 HD22 LEU 8 1HD2 LEU 8 10.668 -0.188 -4.102 79 HD23 LEU 8 2HD2 LEU 8 10.825 1.523 -4.515 80 H THR 9 H THR 9 13.763 -2.435 -0.942 81 HA THR 9 HA THR 9 16.326 -3.774 -1.497 82 HB THR 9 HB THR 9 16.293 -3.992 1.047 83 HG1 THR 9 HG1 THR 9 14.691 -2.653 2.036 84 HG21 THR 9 1HG2 THR 9 17.359 -2.040 -0.048 85 HG22 THR 9 2HG2 THR 9 16.641 -1.628 1.515 86 HG23 THR 9 3HG2 THR 9 15.815 -1.164 0.012 87 H GLY 10 H GLY 10 13.290 -4.907 -1.976 88 HA2 GLY 10 HA2 GLY 10 12.490 -7.048 -2.203 89 HA3 GLY 10 HA3 GLY 10 14.044 -7.677 -1.637 90 H LYS 11 H LYS 11 13.061 -5.631 0.786 91 HA LYS 11 HA LYS 11 12.334 -7.679 2.655 92 HB2 LYS 11 HB2 LYS 11 12.955 -4.892 2.679 93 HB3 LYS 11 HB3 LYS 11 11.393 -4.996 3.413 94 HG2 LYS 11 HG2 LYS 11 13.712 -6.741 4.314 95 HG3 LYS 11 HG3 LYS 11 13.493 -5.079 4.870 96 HD2 LYS 11 HD2 LYS 11 11.213 -5.693 5.749 97 HD3 LYS 11 HD3 LYS 11 11.577 -7.413 5.369 98 HE2 LYS 11 HE2 LYS 11 13.549 -7.314 6.839 99 HE3 LYS 11 HE3 LYS 11 13.343 -5.594 7.093 100 HZ1 LYS 11 HZ1 LYS 11 11.247 -6.097 8.286 101 HZ2 LYS 11 HZ2 LYS 11 12.502 -6.841 8.985 102 HZ3 LYS 11 HZ3 LYS 11 11.475 -7.712 8.081 103 H THR 12 H THR 12 10.563 -8.912 2.254 104 HA THR 12 HA THR 12 8.078 -7.946 1.342 105 HB THR 12 HB THR 12 8.214 -10.448 2.966 106 HG1 THR 12 HG1 THR 12 8.911 -11.468 1.060 107 HG21 THR 12 1HG2 THR 12 6.801 -9.711 0.369 108 HG22 THR 12 2HG2 THR 12 6.051 -9.740 1.981 109 HG23 THR 12 3HG2 THR 12 6.644 -11.243 1.258 110 H ILE 13 H ILE 13 6.849 -6.476 2.303 111 HA ILE 13 HA ILE 13 6.557 -6.421 5.250 112 HB ILE 13 HB ILE 13 4.859 -4.891 3.276 113 HG12 ILE 13 2HG1 ILE 13 7.096 -4.351 2.582 114 HG13 ILE 13 3HG1 ILE 13 6.377 -2.991 3.410 115 HG21 ILE 13 1HG2 ILE 13 5.620 -4.408 6.177 116 HG22 ILE 13 2HG2 ILE 13 4.737 -3.250 5.164 117 HG23 ILE 13 3HG2 ILE 13 4.020 -4.822 5.534 118 HD11 ILE 13 3HD1 ILE 13 8.451 -4.908 4.589 119 HD12 ILE 13 1HD1 ILE 13 8.728 -3.243 4.062 120 HD13 ILE 13 2HD1 ILE 13 7.707 -3.556 5.468 121 H THR 14 H THR 14 4.818 -7.256 6.381 122 HA THR 14 HA THR 14 2.695 -8.691 4.844 123 HB THR 14 HB THR 14 3.706 -9.495 7.573 124 HG1 THR 14 HG1 THR 14 5.298 -9.931 6.134 125 HG21 THR 14 1HG2 THR 14 2.536 -11.628 7.011 126 HG22 THR 14 2HG2 THR 14 1.850 -10.845 5.565 127 HG23 THR 14 3HG2 THR 14 1.426 -10.265 7.194 128 H LEU 15 H LEU 15 0.606 -8.254 5.247 129 HA LEU 15 HA LEU 15 -0.084 -6.525 7.595 130 HB2 LEU 15 HB2 LEU 15 -0.791 -6.183 4.667 131 HB3 LEU 15 HB3 LEU 15 -1.683 -5.366 5.942 132 HG LEU 15 HG LEU 15 1.325 -5.045 5.682 133 HD11 LEU 15 1HD1 LEU 15 0.329 -4.423 3.522 134 HD12 LEU 15 2HD1 LEU 15 0.913 -2.998 4.392 135 HD13 LEU 15 3HD1 LEU 15 -0.829 -3.358 4.349 136 HD21 LEU 15 3HD2 LEU 15 0.253 -4.284 7.797 137 HD22 LEU 15 1HD2 LEU 15 -0.829 -3.232 6.855 138 HD23 LEU 15 2HD2 LEU 15 0.928 -2.946 6.863 139 H GLU 16 H GLU 16 -1.825 -7.038 8.680 140 HA GLU 16 HA GLU 16 -3.733 -9.072 7.667 141 HB2 GLU 16 HB2 GLU 16 -3.500 -7.841 10.443 142 HB3 GLU 16 HB3 GLU 16 -4.615 -9.088 9.926 143 HG2 GLU 16 HG2 GLU 16 -3.145 -10.560 10.698 144 HG3 GLU 16 HG3 GLU 16 -2.274 -10.292 9.199 145 H VAL 17 H VAL 17 -5.514 -8.459 6.693 146 HA VAL 17 HA VAL 17 -7.039 -6.047 7.476 147 HB VAL 17 HB VAL 17 -7.252 -5.215 5.266 148 HG11 VAL 17 1HG1 VAL 17 -5.139 -4.554 6.422 149 HG12 VAL 17 2HG1 VAL 17 -4.286 -5.840 5.543 150 HG13 VAL 17 3HG1 VAL 17 -5.037 -4.504 4.656 151 HG21 VAL 17 3HG2 VAL 17 -7.358 -7.200 3.915 152 HG22 VAL 17 1HG2 VAL 17 -6.038 -6.200 3.322 153 HG23 VAL 17 2HG2 VAL 17 -5.664 -7.624 4.306 154 H GLU 18 H GLU 18 -9.306 -6.052 6.407 155 HA GLU 18 HA GLU 18 -10.218 -8.882 5.905 156 HB2 GLU 18 HB2 GLU 18 -11.810 -6.494 6.856 157 HB3 GLU 18 HB3 GLU 18 -12.523 -7.924 6.158 158 HG2 GLU 18 HG2 GLU 18 -10.968 -9.169 7.967 159 HG3 GLU 18 HG3 GLU 18 -11.078 -7.611 8.788 160 HA PRO 19 HA PRO 19 -10.527 -7.911 1.604 161 HB2 PRO 19 HB2 PRO 19 -12.722 -9.316 0.735 162 HB3 PRO 19 HB3 PRO 19 -11.187 -10.099 1.195 163 HG2 PRO 19 HG2 PRO 19 -13.668 -9.717 2.901 164 HG3 PRO 19 HG3 PRO 19 -12.727 -11.220 2.648 165 HD2 PRO 19 HD2 PRO 19 -12.328 -9.689 4.835 166 HD3 PRO 19 HD3 PRO 19 -10.945 -10.450 4.005 167 H SER 20 H SER 20 -13.114 -7.170 3.760 168 HA SER 20 HA SER 20 -14.549 -5.374 1.920 169 HB2 SER 20 HB2 SER 20 -15.637 -6.874 3.680 170 HB3 SER 20 HB3 SER 20 -14.995 -5.762 4.900 171 HG SER 20 HG SER 20 -16.092 -4.083 3.702 172 H ASP 21 H ASP 21 -11.640 -5.015 3.609 173 HA ASP 21 HA ASP 21 -11.952 -2.319 4.539 174 HB2 ASP 21 HB2 ASP 21 -9.554 -4.036 3.963 175 HB3 ASP 21 HB3 ASP 21 -9.365 -2.311 4.091 176 H THR 22 H THR 22 -11.787 -0.394 3.639 177 HA THR 22 HA THR 22 -11.775 -0.086 0.773 178 HB THR 22 HB THR 22 -12.016 2.124 0.941 179 HG1 THR 22 HG1 THR 22 -11.123 2.537 3.513 180 HG21 THR 22 1HG2 THR 22 -13.889 1.122 2.217 181 HG22 THR 22 2HG2 THR 22 -13.480 2.757 2.770 182 HG23 THR 22 3HG2 THR 22 -12.982 1.349 3.728 183 H ILE 23 H ILE 23 -10.149 1.127 -0.530 184 HA ILE 23 HA ILE 23 -7.502 0.038 -0.167 185 HB ILE 23 HB ILE 23 -8.573 2.367 -1.798 186 HG12 ILE 23 2HG1 ILE 23 -9.395 0.235 -2.597 187 HG13 ILE 23 3HG1 ILE 23 -8.236 0.892 -3.731 188 HG21 ILE 23 1HG2 ILE 23 -6.285 2.910 -1.435 189 HG22 ILE 23 2HG2 ILE 23 -5.747 1.242 -1.770 190 HG23 ILE 23 3HG2 ILE 23 -6.424 2.271 -3.064 191 HD11 ILE 23 3HD1 ILE 23 -7.943 -1.512 -3.535 192 HD12 ILE 23 1HD1 ILE 23 -6.508 -0.712 -2.877 193 HD13 ILE 23 2HD1 ILE 23 -7.735 -1.407 -1.786 194 H GLU 24 H GLU 24 -8.973 3.090 0.970 195 HA GLU 24 HA GLU 24 -6.421 4.077 1.920 196 HB2 GLU 24 HB2 GLU 24 -8.558 5.402 1.103 197 HB3 GLU 24 HB3 GLU 24 -9.049 5.251 2.789 198 HG2 GLU 24 HG2 GLU 24 -7.886 7.360 2.459 199 HG3 GLU 24 HG3 GLU 24 -6.894 6.326 3.482 200 H ASN 25 H ASN 25 -8.949 2.107 3.396 201 HA ASN 25 HA ASN 25 -8.170 2.292 6.133 202 HB2 ASN 25 HB2 ASN 25 -9.223 -0.033 4.494 203 HB3 ASN 25 HB3 ASN 25 -8.910 -0.089 6.204 204 HD21 ASN 25 1HD2 ASN 25 -11.048 -0.581 6.600 205 HD22 ASN 25 2HD2 ASN 25 -12.269 0.719 6.599 206 H VAL 26 H VAL 26 -6.784 0.452 3.399 207 HA VAL 26 HA VAL 26 -4.685 -0.781 4.981 208 HB VAL 26 HB VAL 26 -4.718 -0.436 1.996 209 HG11 VAL 26 1HG1 VAL 26 -3.444 -2.546 3.803 210 HG12 VAL 26 2HG1 VAL 26 -3.416 -2.560 2.027 211 HG13 VAL 26 3HG1 VAL 26 -2.578 -1.277 2.906 212 HG21 VAL 26 3HG2 VAL 26 -5.758 -2.761 1.986 213 HG22 VAL 26 1HG2 VAL 26 -6.081 -2.560 3.716 214 HG23 VAL 26 2HG2 VAL 26 -6.841 -1.489 2.525 215 H LYS 27 H LYS 27 -4.779 2.142 2.886 216 HA LYS 27 HA LYS 27 -2.007 2.882 3.290 217 HB2 LYS 27 HB2 LYS 27 -4.490 4.559 2.743 218 HB3 LYS 27 HB3 LYS 27 -2.972 5.301 3.161 219 HG2 LYS 27 HG2 LYS 27 -3.009 5.442 0.895 220 HG3 LYS 27 HG3 LYS 27 -1.866 4.145 1.213 221 HD2 LYS 27 HD2 LYS 27 -3.399 2.469 0.465 222 HD3 LYS 27 HD3 LYS 27 -4.776 3.566 0.597 223 HE2 LYS 27 HE2 LYS 27 -2.558 3.959 -1.437 224 HE3 LYS 27 HE3 LYS 27 -4.070 3.095 -1.747 225 HZ1 LYS 27 HZ1 LYS 27 -5.183 5.240 -0.912 226 HZ2 LYS 27 HZ2 LYS 27 -4.495 5.264 -2.434 227 HZ3 LYS 27 HZ3 LYS 27 -3.805 5.978 -1.102 228 H ALA 28 H ALA 28 -4.813 3.199 5.430 229 HA ALA 28 HA ALA 28 -3.317 4.801 7.368 230 HB1 ALA 28 HB1 ALA 28 -5.774 4.892 7.200 231 HB2 ALA 28 HB2 ALA 28 -5.888 3.196 7.713 232 HB3 ALA 28 HB3 ALA 28 -5.245 4.421 8.827 233 H LYS 29 H LYS 29 -4.311 1.331 7.342 234 HA LYS 29 HA LYS 29 -3.021 0.575 9.743 235 HB2 LYS 29 HB2 LYS 29 -3.633 -1.004 7.209 236 HB3 LYS 29 HB3 LYS 29 -3.011 -1.765 8.672 237 HG2 LYS 29 HG2 LYS 29 -4.978 -1.241 9.940 238 HG3 LYS 29 HG3 LYS 29 -5.591 -0.154 8.686 239 HD2 LYS 29 HD2 LYS 29 -5.785 -2.053 7.108 240 HD3 LYS 29 HD3 LYS 29 -5.198 -3.165 8.346 241 HE2 LYS 29 HE2 LYS 29 -7.759 -1.513 8.594 242 HE3 LYS 29 HE3 LYS 29 -7.698 -3.134 7.909 243 HZ1 LYS 29 HZ1 LYS 29 -8.275 -3.372 10.151 244 HZ2 LYS 29 HZ2 LYS 29 -7.099 -2.410 10.731 245 HZ3 LYS 29 HZ3 LYS 29 -6.721 -3.876 10.064 246 H ILE 30 H ILE 30 -1.490 0.801 6.526 247 HA ILE 30 HA ILE 30 0.852 -0.613 7.317 248 HB ILE 30 HB ILE 30 0.051 -0.038 4.949 249 HG12 ILE 30 2HG1 ILE 30 2.995 0.343 5.626 250 HG13 ILE 30 3HG1 ILE 30 2.172 -1.212 5.598 251 HG21 ILE 30 1HG2 ILE 30 -0.064 2.427 5.274 252 HG22 ILE 30 2HG2 ILE 30 1.708 2.472 5.317 253 HG23 ILE 30 3HG2 ILE 30 0.858 1.935 3.856 254 HD11 ILE 30 3HD1 ILE 30 3.373 -0.985 3.528 255 HD12 ILE 30 1HD1 ILE 30 1.637 -0.900 3.175 256 HD13 ILE 30 2HD1 ILE 30 2.623 0.581 3.180 257 H GLN 31 H GLN 31 0.040 2.810 7.907 258 HA GLN 31 HA GLN 31 2.794 3.488 8.562 259 HB2 GLN 31 HB2 GLN 31 0.145 4.906 9.024 260 HB3 GLN 31 HB3 GLN 31 1.620 5.435 9.815 261 HG2 GLN 31 HG2 GLN 31 2.014 6.712 8.044 262 HG3 GLN 31 HG3 GLN 31 2.527 5.246 7.228 263 HE21 GLN 31 1HE2 GLN 31 1.430 4.755 5.298 264 HE22 GLN 31 2HE2 GLN 31 -0.209 5.336 5.002 265 H ASP 32 H ASP 32 -0.063 2.525 10.576 266 HA ASP 32 HA ASP 32 1.449 2.908 13.021 267 HB2 ASP 32 HB2 ASP 32 -1.205 2.726 12.390 268 HB3 ASP 32 HB3 ASP 32 -0.951 1.081 12.947 269 H LYS 33 H LYS 33 0.779 0.034 10.919 270 HA LYS 33 HA LYS 33 1.939 -1.825 12.801 271 HB2 LYS 33 HB2 LYS 33 0.281 -2.133 10.729 272 HB3 LYS 33 HB3 LYS 33 1.748 -2.492 9.860 273 HG2 LYS 33 HG2 LYS 33 1.544 -3.931 12.466 274 HG3 LYS 33 HG3 LYS 33 0.160 -4.214 11.415 275 HD2 LYS 33 HD2 LYS 33 2.075 -4.727 9.608 276 HD3 LYS 33 HD3 LYS 33 3.036 -5.052 11.059 277 HE2 LYS 33 HE2 LYS 33 0.351 -6.292 10.291 278 HE3 LYS 33 HE3 LYS 33 1.901 -7.087 10.105 279 HZ1 LYS 33 HZ1 LYS 33 2.022 -7.373 12.463 280 HZ2 LYS 33 HZ2 LYS 33 0.461 -7.677 12.027 281 HZ3 LYS 33 HZ3 LYS 33 0.845 -6.259 12.762 282 H GLU 34 H GLU 34 3.326 -0.143 10.025 283 HA GLU 34 HA GLU 34 6.028 -1.258 10.728 284 HB2 GLU 34 HB2 GLU 34 4.819 -2.542 8.910 285 HB3 GLU 34 HB3 GLU 34 4.821 -1.075 7.948 286 HG2 GLU 34 HG2 GLU 34 6.553 -2.413 7.143 287 HG3 GLU 34 HG3 GLU 34 7.360 -1.120 7.996 288 H GLY 35 H GLY 35 4.279 1.531 9.440 289 HA2 GLY 35 HA2 GLY 35 5.078 3.730 9.659 290 HA3 GLY 35 HA3 GLY 35 6.721 3.146 9.854 291 H ILE 36 H ILE 36 4.414 2.539 7.158 292 HA ILE 36 HA ILE 36 6.346 3.813 5.258 293 HB ILE 36 HB ILE 36 4.020 2.009 4.603 294 HG12 ILE 36 2HG1 ILE 36 5.522 0.663 5.955 295 HG13 ILE 36 3HG1 ILE 36 5.566 0.163 4.280 296 HG21 ILE 36 1HG2 ILE 36 6.402 2.912 2.948 297 HG22 ILE 36 2HG2 ILE 36 5.205 1.699 2.450 298 HG23 ILE 36 3HG2 ILE 36 4.700 3.364 2.715 299 HD11 ILE 36 3HD1 ILE 36 7.802 0.138 5.302 300 HD12 ILE 36 1HD1 ILE 36 7.744 1.285 3.955 301 HD13 ILE 36 2HD1 ILE 36 7.698 1.875 5.636 302 HA PRO 37 HA PRO 37 2.923 6.963 5.369 303 HB2 PRO 37 HB2 PRO 37 4.413 9.239 5.302 304 HB3 PRO 37 HB3 PRO 37 4.192 8.294 6.809 305 HG2 PRO 37 HG2 PRO 37 6.522 8.157 4.856 306 HG3 PRO 37 HG3 PRO 37 6.584 8.378 6.636 307 HD2 PRO 37 HD2 PRO 37 6.882 5.924 5.502 308 HD3 PRO 37 HD3 PRO 37 5.986 6.147 7.035 309 HA PRO 38 HA PRO 38 2.902 7.515 0.949 310 HB2 PRO 38 HB2 PRO 38 1.395 9.779 0.566 311 HB3 PRO 38 HB3 PRO 38 0.709 8.233 1.147 312 HG2 PRO 38 HG2 PRO 38 1.609 10.609 2.816 313 HG3 PRO 38 HG3 PRO 38 0.046 9.736 2.897 314 HD2 PRO 38 HD2 PRO 38 2.066 9.152 4.599 315 HD3 PRO 38 HD3 PRO 38 1.053 7.843 3.917 316 H ASP 39 H ASP 39 4.181 10.091 2.945 317 HA ASP 39 HA ASP 39 5.072 11.998 1.240 318 HB2 ASP 39 HB2 ASP 39 6.652 10.914 3.610 319 HB3 ASP 39 HB3 ASP 39 6.708 12.551 2.962 320 H GLN 40 H GLN 40 6.638 8.878 1.796 321 HA GLN 40 HA GLN 40 9.101 9.629 0.304 322 HB2 GLN 40 HB2 GLN 40 9.298 8.741 2.504 323 HB3 GLN 40 HB3 GLN 40 8.331 7.310 2.121 324 HG2 GLN 40 HG2 GLN 40 10.080 6.395 0.739 325 HG3 GLN 40 HG3 GLN 40 10.973 7.899 0.738 326 HE21 GLN 40 1HE2 GLN 40 11.785 8.677 2.945 327 HE22 GLN 40 2HE2 GLN 40 12.154 7.428 4.125 328 H ASN 41 H ASN 41 6.183 7.806 -0.434 329 HA ASN 41 HA ASN 41 7.496 6.273 -2.603 330 HB2 ASN 41 HB2 ASN 41 6.994 4.126 -1.390 331 HB3 ASN 41 HB3 ASN 41 8.102 5.130 -0.491 332 HD21 ASN 41 1HD2 ASN 41 7.556 5.498 1.639 333 HD22 ASN 41 2HD2 ASN 41 5.885 5.518 2.194 334 H ARG 42 H ARG 42 5.763 4.363 -3.314 335 HA ARG 42 HA ARG 42 2.979 5.137 -2.925 336 HB2 ARG 42 HB2 ARG 42 4.398 6.209 -5.224 337 HB3 ARG 42 HB3 ARG 42 3.202 5.060 -5.807 338 HG2 ARG 42 HG2 ARG 42 1.398 6.231 -4.721 339 HG3 ARG 42 HG3 ARG 42 2.512 7.269 -3.818 340 HD2 ARG 42 HD2 ARG 42 3.307 8.319 -5.865 341 HD3 ARG 42 HD3 ARG 42 2.321 7.214 -6.845 342 HE ARG 42 HE ARG 42 0.737 8.741 -4.929 343 HH11 ARG 42 1HH1 ARG 42 2.194 9.023 -8.132 344 HH12 ARG 42 2HH1 ARG 42 0.964 10.134 -8.667 345 HH21 ARG 42 1HH2 ARG 42 -0.866 10.126 -5.791 346 HH22 ARG 42 2HH2 ARG 42 -0.797 10.441 -7.509 347 H LEU 43 H LEU 43 1.785 3.365 -2.850 348 HA LEU 43 HA LEU 43 2.782 0.737 -3.480 349 HB2 LEU 43 HB2 LEU 43 0.145 1.933 -2.577 350 HB3 LEU 43 HB3 LEU 43 0.132 0.313 -3.229 351 HG LEU 43 HG LEU 43 0.191 0.320 -0.808 352 HD11 LEU 43 1HD1 LEU 43 1.861 -1.380 -0.508 353 HD12 LEU 43 2HD1 LEU 43 2.758 -0.849 -1.946 354 HD13 LEU 43 3HD1 LEU 43 1.146 -1.569 -2.113 355 HD21 LEU 43 3HD2 LEU 43 2.194 0.905 0.458 356 HD22 LEU 43 1HD2 LEU 43 1.548 2.325 -0.374 357 HD23 LEU 43 2HD2 LEU 43 2.986 1.501 -1.009 358 H ILE 44 H ILE 44 2.816 -0.345 -5.303 359 HA ILE 44 HA ILE 44 0.788 0.286 -7.460 360 HB ILE 44 HB ILE 44 3.495 -1.044 -7.761 361 HG12 ILE 44 2HG1 ILE 44 3.881 1.248 -7.267 362 HG13 ILE 44 3HG1 ILE 44 4.224 0.951 -8.954 363 HG21 ILE 44 1HG2 ILE 44 1.452 -0.242 -9.872 364 HG22 ILE 44 2HG2 ILE 44 3.126 -0.717 -10.216 365 HG23 ILE 44 3HG2 ILE 44 2.027 -1.882 -9.486 366 HD11 ILE 44 3HD1 ILE 44 1.718 2.352 -7.940 367 HD12 ILE 44 1HD1 ILE 44 3.131 3.112 -8.683 368 HD13 ILE 44 2HD1 ILE 44 2.111 2.027 -9.642 369 H PHE 45 H PHE 45 -0.486 -1.371 -8.318 370 HA PHE 45 HA PHE 45 0.255 -4.125 -7.543 371 HB2 PHE 45 HB2 PHE 45 -1.392 -3.809 -5.991 372 HB3 PHE 45 HB3 PHE 45 -2.450 -3.006 -7.137 373 HD1 PHE 45 HD1 PHE 45 -1.149 -6.291 -6.046 374 HD2 PHE 45 HD2 PHE 45 -3.859 -4.242 -8.706 375 HE1 PHE 45 HE1 PHE 45 -2.303 -8.431 -6.523 376 HE2 PHE 45 HE2 PHE 45 -5.013 -6.389 -9.170 377 HZ PHE 45 HZ PHE 45 -4.251 -8.480 -8.077 378 H ALA 46 H ALA 46 0.722 -5.385 -9.094 379 HA ALA 46 HA ALA 46 1.102 -6.141 -11.178 380 HB1 ALA 46 HB1 ALA 46 -1.041 -7.172 -10.515 381 HB2 ALA 46 HB2 ALA 46 -1.917 -5.888 -11.379 382 HB3 ALA 46 HB3 ALA 46 -0.881 -7.020 -12.271 383 H GLY 47 H GLY 47 1.029 -3.093 -11.040 384 HA2 GLY 47 HA2 GLY 47 2.056 -1.794 -12.890 385 HA3 GLY 47 HA3 GLY 47 0.846 -2.491 -13.968 386 H LYS 48 H LYS 48 -1.260 -2.138 -11.724 387 HA LYS 48 HA LYS 48 -2.014 0.626 -12.450 388 HB2 LYS 48 HB2 LYS 48 -3.514 -1.592 -10.997 389 HB3 LYS 48 HB3 LYS 48 -4.170 0.016 -11.324 390 HG2 LYS 48 HG2 LYS 48 -3.862 -0.358 -13.774 391 HG3 LYS 48 HG3 LYS 48 -3.287 -2.002 -13.444 392 HD2 LYS 48 HD2 LYS 48 -5.459 -2.603 -12.453 393 HD3 LYS 48 HD3 LYS 48 -6.021 -0.936 -12.614 394 HE2 LYS 48 HE2 LYS 48 -7.030 -2.198 -14.371 395 HE3 LYS 48 HE3 LYS 48 -5.836 -1.116 -15.100 396 HZ1 LYS 48 HZ1 LYS 48 -5.456 -4.006 -14.551 397 HZ2 LYS 48 HZ2 LYS 48 -4.332 -3.009 -15.301 398 HZ3 LYS 48 HZ3 LYS 48 -5.741 -3.360 -16.024 399 H GLN 49 H GLN 49 -2.555 2.247 -10.975 400 HA GLN 49 HA GLN 49 -1.170 2.215 -8.337 401 HB2 GLN 49 HB2 GLN 49 -2.879 4.372 -9.686 402 HB3 GLN 49 HB3 GLN 49 -1.954 4.561 -8.200 403 HG2 GLN 49 HG2 GLN 49 0.158 4.286 -9.466 404 HG3 GLN 49 HG3 GLN 49 -0.760 4.089 -10.965 405 HE21 GLN 49 1HE2 GLN 49 -0.225 6.451 -8.275 406 HE22 GLN 49 2HE2 GLN 49 -0.703 7.842 -9.255 407 H LEU 50 H LEU 50 -2.487 2.960 -6.421 408 HA LEU 50 HA LEU 50 -5.300 1.943 -6.408 409 HB2 LEU 50 HB2 LEU 50 -3.194 1.638 -4.247 410 HB3 LEU 50 HB3 LEU 50 -4.853 1.049 -4.187 411 HG LEU 50 HG LEU 50 -2.696 0.041 -6.097 412 HD11 LEU 50 1HD1 LEU 50 -2.807 -1.999 -4.734 413 HD12 LEU 50 2HD1 LEU 50 -3.972 -1.230 -3.641 414 HD13 LEU 50 3HD1 LEU 50 -2.307 -0.609 -3.755 415 HD21 LEU 50 3HD2 LEU 50 -5.561 -0.904 -5.615 416 HD22 LEU 50 1HD2 LEU 50 -4.342 -1.786 -6.558 417 HD23 LEU 50 2HD2 LEU 50 -4.904 -0.217 -7.114 418 H GLU 51 H GLU 51 -6.566 3.741 -6.306 419 HA GLU 51 HA GLU 51 -5.860 5.942 -4.431 420 HB2 GLU 51 HB2 GLU 51 -6.430 6.205 -7.018 421 HB3 GLU 51 HB3 GLU 51 -8.098 6.138 -6.403 422 HG2 GLU 51 HG2 GLU 51 -7.081 7.966 -4.670 423 HG3 GLU 51 HG3 GLU 51 -5.905 8.183 -5.940 424 H ASP 52 H ASP 52 -7.839 7.027 -3.475 425 HA ASP 52 HA ASP 52 -9.433 5.315 -1.798 426 HB2 ASP 52 HB2 ASP 52 -8.625 7.464 -1.062 427 HB3 ASP 52 HB3 ASP 52 -9.343 8.272 -2.446 428 H GLY 53 H GLY 53 -11.883 5.745 -1.692 429 HA2 GLY 53 HA2 GLY 53 -13.985 5.563 -2.638 430 HA3 GLY 53 HA3 GLY 53 -13.304 6.002 -4.205 431 H ARG 54 H ARG 54 -11.570 3.341 -3.161 432 HA ARG 54 HA ARG 54 -13.474 1.318 -4.295 433 HB2 ARG 54 HB2 ARG 54 -10.455 1.420 -4.652 434 HB3 ARG 54 HB3 ARG 54 -11.549 0.219 -5.321 435 HG2 ARG 54 HG2 ARG 54 -12.512 2.763 -6.256 436 HG3 ARG 54 HG3 ARG 54 -10.748 2.805 -6.390 437 HD2 ARG 54 HD2 ARG 54 -10.961 0.483 -7.504 438 HD3 ARG 54 HD3 ARG 54 -12.707 0.785 -7.527 439 HE ARG 54 HE ARG 54 -11.383 2.994 -8.737 440 HH11 ARG 54 1HH1 ARG 54 -12.290 -0.353 -9.406 441 HH12 ARG 54 2HH1 ARG 54 -12.203 -0.137 -11.128 442 HH21 ARG 54 1HH2 ARG 54 -11.347 3.212 -10.963 443 HH22 ARG 54 2HH2 ARG 54 -11.670 1.835 -11.978 444 H THR 55 H THR 55 -12.861 -0.935 -3.781 445 HA THR 55 HA THR 55 -11.494 -1.297 -1.179 446 HB THR 55 HB THR 55 -12.776 -2.984 -0.421 447 HG1 THR 55 HG1 THR 55 -14.232 -4.112 -1.648 448 HG21 THR 55 1HG2 THR 55 -14.109 -0.867 -0.382 449 HG22 THR 55 2HG2 THR 55 -15.092 -2.336 -0.415 450 HG23 THR 55 3HG2 THR 55 -14.897 -1.374 -1.898 451 H LEU 56 H LEU 56 -10.527 -3.447 -0.826 452 HA LEU 56 HA LEU 56 -8.469 -4.026 -2.677 453 HB2 LEU 56 HB2 LEU 56 -9.879 -5.667 -0.550 454 HB3 LEU 56 HB3 LEU 56 -8.425 -6.249 -1.351 455 HG LEU 56 HG LEU 56 -8.475 -3.609 0.182 456 HD11 LEU 56 1HD1 LEU 56 -7.434 -4.809 2.028 457 HD12 LEU 56 2HD1 LEU 56 -7.576 -6.356 1.143 458 HD13 LEU 56 3HD1 LEU 56 -9.031 -5.483 1.691 459 HD21 LEU 56 3HD2 LEU 56 -6.246 -5.435 -0.834 460 HD22 LEU 56 1HD2 LEU 56 -5.992 -4.032 0.214 461 HD23 LEU 56 2HD2 LEU 56 -6.627 -3.794 -1.413 462 H SER 57 H SER 57 -11.523 -5.865 -2.178 463 HA SER 57 HA SER 57 -10.917 -7.767 -4.209 464 HB2 SER 57 HB2 SER 57 -12.517 -8.153 -2.337 465 HB3 SER 57 HB3 SER 57 -13.702 -7.113 -3.163 466 HG SER 57 HG SER 57 -13.343 -8.543 -5.031 467 H ASP 58 H ASP 58 -12.200 -4.543 -4.628 468 HA ASP 58 HA ASP 58 -13.449 -5.116 -7.235 469 HB2 ASP 58 HB2 ASP 58 -14.336 -3.232 -6.081 470 HB3 ASP 58 HB3 ASP 58 -12.763 -2.496 -5.925 471 H TYR 59 H TYR 59 -10.305 -3.913 -6.141 472 HA TYR 59 HA TYR 59 -9.107 -3.958 -8.775 473 HB2 TYR 59 HB2 TYR 59 -8.026 -3.581 -6.010 474 HB3 TYR 59 HB3 TYR 59 -6.948 -3.907 -7.350 475 HD1 TYR 59 HD2 TYR 59 -6.761 -2.374 -9.286 476 HD2 TYR 59 HD1 TYR 59 -8.971 -1.361 -5.729 477 HE1 TYR 59 HE2 TYR 59 -6.398 0.050 -9.755 478 HE2 TYR 59 HE1 TYR 59 -8.579 1.072 -6.190 479 HH TYR 59 HH TYR 59 -6.321 2.098 -8.667 480 H ASN 60 H ASN 60 -10.307 -6.503 -7.219 481 HA ASN 60 HA ASN 60 -9.986 -8.699 -7.037 482 HB2 ASN 60 HB2 ASN 60 -9.895 -8.269 -9.585 483 HB3 ASN 60 HB3 ASN 60 -8.168 -8.604 -9.457 484 HD21 ASN 60 1HD2 ASN 60 -9.015 -10.266 -11.091 485 HD22 ASN 60 2HD2 ASN 60 -9.582 -11.789 -10.436 486 H ILE 61 H ILE 61 -8.254 -7.077 -5.427 487 HA ILE 61 HA ILE 61 -5.641 -8.384 -5.304 488 HB ILE 61 HB ILE 61 -6.894 -6.469 -3.308 489 HG12 ILE 61 2HG1 ILE 61 -5.122 -5.917 -5.731 490 HG13 ILE 61 3HG1 ILE 61 -6.796 -5.453 -5.540 491 HG21 ILE 61 1HG2 ILE 61 -3.979 -7.237 -3.807 492 HG22 ILE 61 2HG2 ILE 61 -4.579 -6.125 -2.557 493 HG23 ILE 61 3HG2 ILE 61 -4.967 -7.836 -2.458 494 HD11 ILE 61 3HD1 ILE 61 -5.415 -3.525 -5.200 495 HD12 ILE 61 1HD1 ILE 61 -6.195 -3.946 -3.669 496 HD13 ILE 61 2HD1 ILE 61 -4.473 -4.331 -3.941 497 H GLN 62 H GLN 62 -6.099 -10.515 -5.080 498 HA GLN 62 HA GLN 62 -7.827 -11.631 -3.062 499 HB2 GLN 62 HB2 GLN 62 -5.771 -12.859 -4.939 500 HB3 GLN 62 HB3 GLN 62 -6.847 -13.812 -3.909 501 HG2 GLN 62 HG2 GLN 62 -8.826 -12.948 -5.028 502 HG3 GLN 62 HG3 GLN 62 -7.876 -11.788 -5.942 503 HE21 GLN 62 1HE2 GLN 62 -8.866 -12.646 -7.871 504 HE22 GLN 62 2HE2 GLN 62 -8.273 -14.189 -8.514 505 H LYS 63 H LYS 63 -7.066 -13.428 -1.558 506 HA LYS 63 HA LYS 63 -5.197 -12.413 0.377 507 HB2 LYS 63 HB2 LYS 63 -5.694 -14.358 1.648 508 HB3 LYS 63 HB3 LYS 63 -7.156 -13.988 0.757 509 HG2 LYS 63 HG2 LYS 63 -6.495 -15.685 -1.003 510 HG3 LYS 63 HG3 LYS 63 -5.162 -16.179 0.060 511 HD2 LYS 63 HD2 LYS 63 -6.776 -16.799 1.822 512 HD3 LYS 63 HD3 LYS 63 -8.113 -16.199 0.830 513 HE2 LYS 63 HE2 LYS 63 -8.074 -18.590 0.670 514 HE3 LYS 63 HE3 LYS 63 -7.625 -17.914 -0.896 515 HZ1 LYS 63 HZ1 LYS 63 -5.334 -18.517 -0.479 516 HZ2 LYS 63 HZ2 LYS 63 -6.238 -19.831 -0.053 517 HZ3 LYS 63 HZ3 LYS 63 -5.628 -18.886 1.087 518 H GLU 64 H GLU 64 -3.130 -13.028 0.921 519 HA GLU 64 HA GLU 64 -0.970 -13.339 0.537 520 HB2 GLU 64 HB2 GLU 64 -1.801 -15.842 -0.960 521 HB3 GLU 64 HB3 GLU 64 -0.148 -15.428 -0.492 522 HG2 GLU 64 HG2 GLU 64 -0.877 -15.285 1.898 523 HG3 GLU 64 HG3 GLU 64 -2.475 -15.855 1.419 524 H SER 65 H SER 65 -2.618 -11.761 -1.560 525 HA SER 65 HA SER 65 -1.212 -11.759 -3.998 526 HB2 SER 65 HB2 SER 65 -1.992 -9.441 -4.256 527 HB3 SER 65 HB3 SER 65 -3.291 -10.474 -3.666 528 HG SER 65 HG SER 65 -1.594 -9.098 -1.868 529 H THR 66 H THR 66 0.526 -10.738 -4.809 530 HA THR 66 HA THR 66 2.366 -9.374 -2.951 531 HB THR 66 HB THR 66 3.328 -10.106 -5.665 532 HG1 THR 66 HG1 THR 66 2.809 -11.904 -3.579 533 HG21 THR 66 1HG2 THR 66 4.785 -8.856 -4.113 534 HG22 THR 66 2HG2 THR 66 5.411 -10.486 -4.429 535 HG23 THR 66 3HG2 THR 66 4.591 -10.137 -2.893 536 H LEU 67 H LEU 67 1.406 -7.413 -2.723 537 HA LEU 67 HA LEU 67 1.105 -5.589 -4.987 538 HB2 LEU 67 HB2 LEU 67 1.411 -4.993 -2.009 539 HB3 LEU 67 HB3 LEU 67 1.051 -3.839 -3.279 540 HG LEU 67 HG LEU 67 -0.953 -5.623 -3.761 541 HD11 LEU 67 1HD1 LEU 67 -0.563 -5.690 -0.737 542 HD12 LEU 67 2HD1 LEU 67 -0.426 -7.075 -1.835 543 HD13 LEU 67 3HD1 LEU 67 -1.988 -6.282 -1.627 544 HD21 LEU 67 3HD2 LEU 67 -1.179 -3.185 -3.427 545 HD22 LEU 67 1HD2 LEU 67 -1.022 -3.405 -1.669 546 HD23 LEU 67 2HD2 LEU 67 -2.423 -4.075 -2.535 547 H HIS 68 H HIS 68 2.541 -3.865 -5.499 548 HA HIS 68 HA HIS 68 5.438 -4.243 -4.839 549 HB2 HIS 68 HB2 HIS 68 4.205 -3.208 -7.405 550 HB3 HIS 68 HB3 HIS 68 5.898 -3.293 -7.043 551 HD1 HIS 68 HD1 HIS 68 3.600 -6.441 -6.629 552 HD2 HIS 68 HD2 HIS 68 6.780 -4.868 -8.882 553 HE1 HIS 68 HE1 HIS 68 4.431 -8.312 -8.109 554 H LEU 69 H LEU 69 6.684 -2.517 -5.055 555 HA LEU 69 HA LEU 69 5.203 -0.076 -4.271 556 HB2 LEU 69 HB2 LEU 69 6.255 -1.260 -2.362 557 HB3 LEU 69 HB3 LEU 69 7.799 -1.077 -3.166 558 HG LEU 69 HG LEU 69 7.711 1.355 -2.859 559 HD11 LEU 69 1HD1 LEU 69 5.266 1.677 -2.819 560 HD12 LEU 69 2HD1 LEU 69 5.938 2.241 -1.287 561 HD13 LEU 69 3HD1 LEU 69 5.142 0.668 -1.371 562 HD21 LEU 69 3HD2 LEU 69 8.809 -0.019 -1.187 563 HD22 LEU 69 1HD2 LEU 69 7.257 -0.234 -0.329 564 HD23 LEU 69 2HD2 LEU 69 8.012 1.372 -0.440 565 H VAL 70 H VAL 70 6.029 1.897 -4.788 566 HA VAL 70 HA VAL 70 8.837 1.859 -5.748 567 HB VAL 70 HB VAL 70 8.163 4.255 -6.841 568 HG11 VAL 70 1HG1 VAL 70 8.204 3.236 -8.932 569 HG12 VAL 70 2HG1 VAL 70 9.411 2.529 -7.846 570 HG13 VAL 70 3HG1 VAL 70 7.907 1.650 -8.200 571 HG21 VAL 70 3HG2 VAL 70 5.754 4.137 -6.324 572 HG22 VAL 70 1HG2 VAL 70 6.132 4.259 -8.048 573 HG23 VAL 70 2HG2 VAL 70 5.641 2.695 -7.366 574 H LEU 71 H LEU 71 9.901 3.838 -5.530 575 HA LEU 71 HA LEU 71 9.257 5.517 -3.284 576 HB2 LEU 71 HB2 LEU 71 11.105 5.989 -5.613 577 HB3 LEU 71 HB3 LEU 71 10.983 7.038 -4.208 578 HG LEU 71 HG LEU 71 11.819 4.125 -4.009 579 HD11 LEU 71 1HD1 LEU 71 14.088 5.023 -3.689 580 HD12 LEU 71 2HD1 LEU 71 13.497 6.662 -4.036 581 HD13 LEU 71 3HD1 LEU 71 13.459 5.410 -5.299 582 HD21 LEU 71 3HD2 LEU 71 10.885 5.018 -1.898 583 HD22 LEU 71 1HD2 LEU 71 11.929 6.450 -2.031 584 HD23 LEU 71 2HD2 LEU 71 12.638 4.844 -1.773 585 H ARG 72 H ARG 72 9.141 7.782 -3.468 586 HA ARG 72 HA ARG 72 7.459 8.908 -5.613 587 HB2 ARG 72 HB2 ARG 72 7.905 9.614 -2.912 588 HB3 ARG 72 HB3 ARG 72 8.922 10.737 -3.780 589 HG2 ARG 72 HG2 ARG 72 6.857 11.830 -3.464 590 HG3 ARG 72 HG3 ARG 72 6.868 11.356 -5.160 591 HD2 ARG 72 HD2 ARG 72 4.857 10.381 -4.832 592 HD3 ARG 72 HD3 ARG 72 5.661 9.164 -3.854 593 HE ARG 72 HE ARG 72 4.859 10.141 -1.892 594 HH11 ARG 72 1HH1 ARG 72 3.943 12.291 -4.528 595 HH12 ARG 72 2HH1 ARG 72 2.648 12.990 -3.579 596 HH21 ARG 72 1HH2 ARG 72 3.376 11.176 -0.764 597 HH22 ARG 72 2HH2 ARG 72 2.424 12.492 -1.431 598 H LEU 73 H LEU 73 8.316 10.042 -7.365 599 HA LEU 73 HA LEU 73 11.279 9.979 -7.706 600 HB2 LEU 73 HB2 LEU 73 8.953 10.049 -9.649 601 HB3 LEU 73 HB3 LEU 73 10.604 10.362 -10.165 602 HG LEU 73 HG LEU 73 9.793 7.782 -8.770 603 HD11 LEU 73 1HD1 LEU 73 10.104 8.389 -11.739 604 HD12 LEU 73 2HD1 LEU 73 8.578 8.009 -10.903 605 HD13 LEU 73 3HD1 LEU 73 9.846 6.780 -11.034 606 HD21 LEU 73 3HD2 LEU 73 11.900 6.935 -9.792 607 HD22 LEU 73 1HD2 LEU 73 12.224 8.263 -8.668 608 HD23 LEU 73 2HD2 LEU 73 12.241 8.559 -10.420 609 H ARG 74 H ARG 74 8.648 12.376 -8.159 610 HA ARG 74 HA ARG 74 8.679 14.632 -8.579 611 HB2 ARG 74 HB2 ARG 74 10.499 14.158 -6.320 612 HB3 ARG 74 HB3 ARG 74 10.837 15.676 -7.116 613 HG2 ARG 74 HG2 ARG 74 8.018 14.918 -6.284 614 HG3 ARG 74 HG3 ARG 74 9.161 15.719 -5.197 615 HD2 ARG 74 HD2 ARG 74 9.363 17.642 -6.675 616 HD3 ARG 74 HD3 ARG 74 8.379 16.846 -7.911 617 HE ARG 74 HE ARG 74 7.113 17.267 -5.263 618 HH11 ARG 74 1HH1 ARG 74 7.585 18.868 -8.341 619 HH12 ARG 74 2HH1 ARG 74 5.958 19.460 -8.406 620 HH21 ARG 74 1HH2 ARG 74 5.076 18.293 -5.293 621 HH22 ARG 74 2HH2 ARG 74 4.635 19.209 -6.705 622 H GLY 75 H GLY 75 9.074 14.189 -10.786 623 HA2 GLY 75 HA2 GLY 75 9.999 16.168 -12.156 624 HA3 GLY 75 HA3 GLY 75 11.577 15.451 -11.833 625 H GLY 76 H GLY 76 10.413 12.683 -12.099 626 HA2 GLY 76 HA2 GLY 76 9.489 11.377 -14.083 627 HA3 GLY 76 HA3 GLY 76 10.492 12.461 -15.069 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -8.141 -10.933 6.362 2 H2 MET 1 H2 MET 1 -7.787 -12.472 6.821 3 H3 MET 1 H3 MET 1 -9.121 -12.183 5.914 4 HA MET 1 HA MET 1 -7.379 -13.116 4.525 5 HB2 MET 1 HB2 MET 1 -7.852 -10.155 3.937 6 HB3 MET 1 HB3 MET 1 -7.223 -11.338 2.802 7 HG2 MET 1 HG2 MET 1 -9.941 -11.521 4.128 8 HG3 MET 1 HG3 MET 1 -9.651 -10.865 2.514 9 HE1 MET 1 HE1 MET 1 -11.409 -14.556 2.322 10 HE2 MET 1 HE2 MET 1 -11.389 -13.666 3.856 11 HE3 MET 1 HE3 MET 1 -11.771 -12.818 2.339 12 H GLN 2 H GLN 2 -5.242 -12.944 3.663 13 HA GLN 2 HA GLN 2 -3.408 -11.070 5.042 14 HB2 GLN 2 HB2 GLN 2 -3.190 -13.292 6.000 15 HB3 GLN 2 HB3 GLN 2 -3.019 -14.017 4.395 16 HG2 GLN 2 HG2 GLN 2 -0.860 -12.986 4.061 17 HG3 GLN 2 HG3 GLN 2 -1.099 -11.935 5.465 18 HE21 GLN 2 1HE2 GLN 2 -0.895 -12.879 7.631 19 HE22 GLN 2 2HE2 GLN 2 -0.240 -14.505 7.811 20 H ILE 3 H ILE 3 -2.010 -10.010 3.715 21 HA ILE 3 HA ILE 3 -1.763 -10.776 0.848 22 HB ILE 3 HB ILE 3 -2.177 -8.569 0.061 23 HG12 ILE 3 2HG1 ILE 3 -2.757 -7.688 2.921 24 HG13 ILE 3 3HG1 ILE 3 -1.324 -7.261 1.982 25 HG21 ILE 3 1HG2 ILE 3 -4.557 -8.412 0.309 26 HG22 ILE 3 2HG2 ILE 3 -4.132 -10.117 0.397 27 HG23 ILE 3 3HG2 ILE 3 -4.523 -9.226 1.888 28 HD11 ILE 3 3HD1 ILE 3 -2.766 -6.093 0.318 29 HD12 ILE 3 1HD1 ILE 3 -4.166 -6.385 1.381 30 HD13 ILE 3 2HD1 ILE 3 -2.814 -5.395 1.949 31 H PHE 4 H PHE 4 0.094 -9.866 -0.203 32 HA PHE 4 HA PHE 4 2.278 -9.201 1.703 33 HB2 PHE 4 HB2 PHE 4 2.349 -10.941 -0.770 34 HB3 PHE 4 HB3 PHE 4 3.742 -10.513 0.213 35 HD1 PHE 4 HD1 PHE 4 3.615 -11.115 2.791 36 HD2 PHE 4 HD2 PHE 4 1.141 -12.905 -0.261 37 HE1 PHE 4 HE1 PHE 4 3.187 -13.057 4.273 38 HE2 PHE 4 HE2 PHE 4 0.712 -14.843 1.235 39 HZ PHE 4 HZ PHE 4 1.711 -14.915 3.510 40 H VAL 5 H VAL 5 3.867 -7.744 1.205 41 HA VAL 5 HA VAL 5 3.725 -6.435 -1.464 42 HB VAL 5 HB VAL 5 4.617 -4.804 0.875 43 HG11 VAL 5 1HG1 VAL 5 3.504 -4.097 -1.870 44 HG12 VAL 5 2HG1 VAL 5 3.996 -2.944 -0.612 45 HG13 VAL 5 3HG1 VAL 5 5.204 -3.983 -1.364 46 HG21 VAL 5 3HG2 VAL 5 2.335 -5.437 1.476 47 HG22 VAL 5 1HG2 VAL 5 2.375 -3.758 0.939 48 HG23 VAL 5 2HG2 VAL 5 1.764 -5.021 -0.154 49 H LYS 6 H LYS 6 5.450 -6.156 -2.644 50 HA LYS 6 HA LYS 6 8.010 -7.407 -1.787 51 HB2 LYS 6 HB2 LYS 6 7.069 -8.323 -3.784 52 HB3 LYS 6 HB3 LYS 6 6.628 -6.759 -4.403 53 HG2 LYS 6 HG2 LYS 6 8.355 -7.535 -5.741 54 HG3 LYS 6 HG3 LYS 6 8.981 -6.163 -4.816 55 HD2 LYS 6 HD2 LYS 6 10.308 -7.703 -3.426 56 HD3 LYS 6 HD3 LYS 6 9.292 -9.075 -3.874 57 HE2 LYS 6 HE2 LYS 6 10.274 -8.335 -6.341 58 HE3 LYS 6 HE3 LYS 6 11.638 -7.918 -5.294 59 HZ1 LYS 6 HZ1 LYS 6 11.496 -10.253 -4.431 60 HZ2 LYS 6 HZ2 LYS 6 11.817 -10.235 -6.032 61 HZ3 LYS 6 HZ3 LYS 6 10.313 -10.583 -5.525 62 H THR 7 H THR 7 9.251 -5.939 -0.711 63 HA THR 7 HA THR 7 9.377 -3.146 -1.578 64 HB THR 7 HB THR 7 10.912 -2.795 0.236 65 HG1 THR 7 HG1 THR 7 10.825 -5.528 0.847 66 HG21 THR 7 1HG2 THR 7 8.808 -4.750 1.236 67 HG22 THR 7 2HG2 THR 7 8.532 -3.024 0.925 68 HG23 THR 7 3HG2 THR 7 9.679 -3.525 2.180 69 H LEU 8 H LEU 8 11.420 -2.056 -1.926 70 HA LEU 8 HA LEU 8 12.860 -3.030 -4.189 71 HB2 LEU 8 HB2 LEU 8 13.500 -0.783 -2.227 72 HB3 LEU 8 HB3 LEU 8 14.257 -0.986 -3.800 73 HG LEU 8 HG LEU 8 11.261 -0.514 -3.432 74 HD11 LEU 8 1HD1 LEU 8 12.518 1.412 -2.577 75 HD12 LEU 8 2HD1 LEU 8 11.711 1.804 -4.102 76 HD13 LEU 8 3HD1 LEU 8 13.460 1.485 -4.076 77 HD21 LEU 8 3HD2 LEU 8 11.342 0.132 -5.817 78 HD22 LEU 8 1HD2 LEU 8 11.859 -1.542 -5.604 79 HD23 LEU 8 2HD2 LEU 8 13.071 -0.273 -5.876 80 H THR 9 H THR 9 13.696 -3.050 -0.718 81 HA THR 9 HA THR 9 16.390 -4.153 -1.093 82 HB THR 9 HB THR 9 16.231 -4.354 1.437 83 HG1 THR 9 HG1 THR 9 14.445 -3.321 2.373 84 HG21 THR 9 1HG2 THR 9 15.510 -1.596 0.353 85 HG22 THR 9 2HG2 THR 9 17.143 -2.294 0.418 86 HG23 THR 9 3HG2 THR 9 16.269 -1.961 1.918 87 H GLY 10 H GLY 10 13.505 -5.570 -1.744 88 HA2 GLY 10 HA2 GLY 10 13.027 -7.775 -2.132 89 HA3 GLY 10 HA3 GLY 10 14.589 -8.230 -1.445 90 H LYS 11 H LYS 11 13.174 -6.490 1.006 91 HA LYS 11 HA LYS 11 12.295 -8.795 2.536 92 HB2 LYS 11 HB2 LYS 11 12.219 -5.800 2.931 93 HB3 LYS 11 HB3 LYS 11 11.101 -6.778 3.852 94 HG2 LYS 11 HG2 LYS 11 13.674 -8.042 4.122 95 HG3 LYS 11 HG3 LYS 11 13.907 -6.303 4.342 96 HD2 LYS 11 HD2 LYS 11 12.019 -6.302 6.008 97 HD3 LYS 11 HD3 LYS 11 11.893 -8.061 5.817 98 HE2 LYS 11 HE2 LYS 11 14.279 -8.263 6.605 99 HE3 LYS 11 HE3 LYS 11 14.306 -6.512 6.868 100 HZ1 LYS 11 HZ1 LYS 11 12.463 -6.806 8.482 101 HZ2 LYS 11 HZ2 LYS 11 13.741 -7.683 8.945 102 HZ3 LYS 11 HZ3 LYS 11 12.472 -8.411 8.243 103 H THR 12 H THR 12 10.456 -9.829 2.576 104 HA THR 12 HA THR 12 8.033 -8.913 1.295 105 HB THR 12 HB THR 12 7.951 -11.078 3.359 106 HG1 THR 12 HG1 THR 12 9.365 -12.199 2.411 107 HG21 THR 12 1HG2 THR 12 5.911 -10.432 2.105 108 HG22 THR 12 2HG2 THR 12 6.417 -12.088 1.735 109 HG23 THR 12 3HG2 THR 12 6.746 -10.784 0.574 110 H ILE 13 H ILE 13 6.537 -7.497 2.086 111 HA ILE 13 HA ILE 13 6.287 -7.194 5.050 112 HB ILE 13 HB ILE 13 4.714 -5.755 2.917 113 HG12 ILE 13 2HG1 ILE 13 7.008 -5.208 2.443 114 HG13 ILE 13 3HG1 ILE 13 6.197 -3.839 3.143 115 HG21 ILE 13 1HG2 ILE 13 5.172 -5.162 5.864 116 HG22 ILE 13 2HG2 ILE 13 4.379 -4.060 4.724 117 HG23 ILE 13 3HG2 ILE 13 3.653 -5.628 5.077 118 HD11 ILE 13 3HD1 ILE 13 7.286 -4.396 5.379 119 HD12 ILE 13 1HD1 ILE 13 8.191 -5.678 4.549 120 HD13 ILE 13 2HD1 ILE 13 8.427 -3.982 4.098 121 H THR 14 H THR 14 4.634 -8.076 6.131 122 HA THR 14 HA THR 14 2.428 -9.433 4.665 123 HB THR 14 HB THR 14 3.169 -10.046 7.514 124 HG1 THR 14 HG1 THR 14 4.394 -11.673 6.831 125 HG21 THR 14 1HG2 THR 14 1.596 -11.535 5.376 126 HG22 THR 14 2HG2 THR 14 0.967 -10.834 6.881 127 HG23 THR 14 3HG2 THR 14 2.062 -12.222 6.951 128 H LEU 15 H LEU 15 0.376 -8.744 4.896 129 HA LEU 15 HA LEU 15 -0.310 -6.997 7.236 130 HB2 LEU 15 HB2 LEU 15 -1.024 -6.686 4.307 131 HB3 LEU 15 HB3 LEU 15 -1.898 -5.844 5.579 132 HG LEU 15 HG LEU 15 1.115 -5.559 5.270 133 HD11 LEU 15 1HD1 LEU 15 -1.049 -3.846 3.984 134 HD12 LEU 15 2HD1 LEU 15 0.083 -4.924 3.133 135 HD13 LEU 15 3HD1 LEU 15 0.700 -3.505 3.995 136 HD21 LEU 15 3HD2 LEU 15 0.760 -3.444 6.450 137 HD22 LEU 15 1HD2 LEU 15 0.098 -4.775 7.405 138 HD23 LEU 15 2HD2 LEU 15 -1.001 -3.723 6.486 139 H GLU 16 H GLU 16 -2.303 -7.243 8.118 140 HA GLU 16 HA GLU 16 -4.014 -9.499 7.202 141 HB2 GLU 16 HB2 GLU 16 -2.949 -9.917 9.397 142 HB3 GLU 16 HB3 GLU 16 -3.691 -8.437 10.034 143 HG2 GLU 16 HG2 GLU 16 -5.936 -9.383 9.674 144 HG3 GLU 16 HG3 GLU 16 -5.246 -10.787 8.862 145 H VAL 17 H VAL 17 -6.034 -8.979 6.623 146 HA VAL 17 HA VAL 17 -7.288 -6.357 7.215 147 HB VAL 17 HB VAL 17 -7.560 -5.798 4.834 148 HG11 VAL 17 1HG1 VAL 17 -4.592 -6.101 5.445 149 HG12 VAL 17 2HG1 VAL 17 -5.369 -4.939 4.353 150 HG13 VAL 17 3HG1 VAL 17 -5.649 -4.826 6.097 151 HG21 VAL 17 3HG2 VAL 17 -7.374 -7.914 3.714 152 HG22 VAL 17 1HG2 VAL 17 -6.079 -6.881 3.121 153 HG23 VAL 17 2HG2 VAL 17 -5.701 -8.155 4.290 154 H GLU 18 H GLU 18 -9.494 -6.216 6.378 155 HA GLU 18 HA GLU 18 -10.948 -8.815 6.186 156 HB2 GLU 18 HB2 GLU 18 -11.778 -5.914 6.329 157 HB3 GLU 18 HB3 GLU 18 -12.918 -7.131 5.872 158 HG2 GLU 18 HG2 GLU 18 -11.328 -7.530 8.424 159 HG3 GLU 18 HG3 GLU 18 -12.589 -6.310 8.405 160 HA PRO 19 HA PRO 19 -10.975 -8.504 1.601 161 HB2 PRO 19 HB2 PRO 19 -13.302 -9.782 0.971 162 HB3 PRO 19 HB3 PRO 19 -11.873 -10.660 1.581 163 HG2 PRO 19 HG2 PRO 19 -14.297 -9.710 3.154 164 HG3 PRO 19 HG3 PRO 19 -13.554 -11.346 3.174 165 HD2 PRO 19 HD2 PRO 19 -13.021 -9.436 5.062 166 HD3 PRO 19 HD3 PRO 19 -11.766 -10.591 4.526 167 H SER 20 H SER 20 -13.519 -7.439 3.681 168 HA SER 20 HA SER 20 -14.891 -5.640 1.863 169 HB2 SER 20 HB2 SER 20 -14.901 -5.839 4.916 170 HB3 SER 20 HB3 SER 20 -16.080 -4.976 3.907 171 HG SER 20 HG SER 20 -16.143 -7.552 4.607 172 H ASP 21 H ASP 21 -11.775 -5.321 3.325 173 HA ASP 21 HA ASP 21 -12.053 -2.577 4.125 174 HB2 ASP 21 HB2 ASP 21 -9.688 -4.378 3.686 175 HB3 ASP 21 HB3 ASP 21 -9.474 -2.671 3.967 176 H THR 22 H THR 22 -11.661 -0.729 3.317 177 HA THR 22 HA THR 22 -11.585 -0.431 0.453 178 HB THR 22 HB THR 22 -12.207 1.723 0.573 179 HG1 THR 22 HG1 THR 22 -11.953 2.918 2.571 180 HG21 THR 22 1HG2 THR 22 -13.278 0.761 3.262 181 HG22 THR 22 2HG2 THR 22 -13.949 0.303 1.675 182 HG23 THR 22 3HG2 THR 22 -13.970 2.004 2.188 183 H ILE 23 H ILE 23 -10.204 0.809 -0.799 184 HA ILE 23 HA ILE 23 -7.386 0.571 -0.172 185 HB ILE 23 HB ILE 23 -8.759 2.001 -2.464 186 HG12 ILE 23 2HG1 ILE 23 -9.462 -0.283 -2.545 187 HG13 ILE 23 3HG1 ILE 23 -8.263 -0.033 -3.772 188 HG21 ILE 23 1HG2 ILE 23 -6.471 2.744 -2.436 189 HG22 ILE 23 2HG2 ILE 23 -5.866 1.099 -2.139 190 HG23 ILE 23 3HG2 ILE 23 -6.604 1.541 -3.687 191 HD11 ILE 23 3HD1 ILE 23 -6.538 -1.153 -2.368 192 HD12 ILE 23 1HD1 ILE 23 -7.790 -1.480 -1.144 193 HD13 ILE 23 2HD1 ILE 23 -7.916 -2.187 -2.761 194 H GLU 24 H GLU 24 -9.580 2.766 1.049 195 HA GLU 24 HA GLU 24 -7.506 4.844 1.601 196 HB2 GLU 24 HB2 GLU 24 -9.940 5.459 1.392 197 HB3 GLU 24 HB3 GLU 24 -10.263 4.475 2.817 198 HG2 GLU 24 HG2 GLU 24 -8.671 5.921 4.119 199 HG3 GLU 24 HG3 GLU 24 -8.496 6.946 2.689 200 H ASN 25 H ASN 25 -9.329 2.234 3.245 201 HA ASN 25 HA ASN 25 -8.117 2.507 5.789 202 HB2 ASN 25 HB2 ASN 25 -10.296 1.173 4.706 203 HB3 ASN 25 HB3 ASN 25 -9.227 -0.171 5.045 204 HD21 ASN 25 1HD2 ASN 25 -11.552 1.902 6.378 205 HD22 ASN 25 2HD2 ASN 25 -11.140 1.680 8.066 206 H VAL 26 H VAL 26 -7.380 0.083 3.203 207 HA VAL 26 HA VAL 26 -5.264 -1.226 4.631 208 HB VAL 26 HB VAL 26 -5.551 -0.877 1.631 209 HG11 VAL 26 1HG1 VAL 26 -4.050 -2.987 3.252 210 HG12 VAL 26 2HG1 VAL 26 -4.299 -3.030 1.492 211 HG13 VAL 26 3HG1 VAL 26 -3.318 -1.748 2.207 212 HG21 VAL 26 3HG2 VAL 26 -6.663 -3.099 1.676 213 HG22 VAL 26 1HG2 VAL 26 -6.622 -3.086 3.451 214 HG23 VAL 26 2HG2 VAL 26 -7.596 -1.908 2.561 215 H LYS 27 H LYS 27 -5.213 1.631 2.539 216 HA LYS 27 HA LYS 27 -2.324 2.030 2.677 217 HB2 LYS 27 HB2 LYS 27 -4.679 3.467 1.511 218 HB3 LYS 27 HB3 LYS 27 -3.240 4.434 1.856 219 HG2 LYS 27 HG2 LYS 27 -1.865 3.250 0.403 220 HG3 LYS 27 HG3 LYS 27 -2.904 1.836 0.371 221 HD2 LYS 27 HD2 LYS 27 -2.827 3.049 -1.757 222 HD3 LYS 27 HD3 LYS 27 -4.428 2.809 -1.139 223 HE2 LYS 27 HE2 LYS 27 -2.918 5.461 -0.901 224 HE3 LYS 27 HE3 LYS 27 -3.946 5.005 -2.266 225 HZ1 LYS 27 HZ1 LYS 27 -5.418 6.155 -0.977 226 HZ2 LYS 27 HZ2 LYS 27 -4.848 5.602 0.456 227 HZ3 LYS 27 HZ3 LYS 27 -5.725 4.605 -0.480 228 H ALA 28 H ALA 28 -4.807 2.692 4.943 229 HA ALA 28 HA ALA 28 -3.068 4.558 6.466 230 HB1 ALA 28 HB1 ALA 28 -5.525 4.868 6.506 231 HB2 ALA 28 HB2 ALA 28 -5.726 3.253 7.217 232 HB3 ALA 28 HB3 ALA 28 -4.872 4.517 8.117 233 H LYS 29 H LYS 29 -4.402 1.234 6.905 234 HA LYS 29 HA LYS 29 -3.075 0.483 9.247 235 HB2 LYS 29 HB2 LYS 29 -3.941 -1.118 6.811 236 HB3 LYS 29 HB3 LYS 29 -3.238 -1.899 8.228 237 HG2 LYS 29 HG2 LYS 29 -5.003 -1.191 9.666 238 HG3 LYS 29 HG3 LYS 29 -5.668 -0.089 8.444 239 HD2 LYS 29 HD2 LYS 29 -6.463 -1.871 7.081 240 HD3 LYS 29 HD3 LYS 29 -5.456 -3.067 7.900 241 HE2 LYS 29 HE2 LYS 29 -7.843 -3.316 8.436 242 HE3 LYS 29 HE3 LYS 29 -6.823 -3.071 9.857 243 HZ1 LYS 29 HZ1 LYS 29 -8.422 -0.903 8.590 244 HZ2 LYS 29 HZ2 LYS 29 -7.578 -0.786 9.992 245 HZ3 LYS 29 HZ3 LYS 29 -8.881 -1.765 9.907 246 H ILE 30 H ILE 30 -1.627 0.411 6.012 247 HA ILE 30 HA ILE 30 0.706 -1.040 6.718 248 HB ILE 30 HB ILE 30 -0.174 -0.433 4.398 249 HG12 ILE 30 2HG1 ILE 30 2.804 0.001 4.865 250 HG13 ILE 30 3HG1 ILE 30 2.012 -1.569 4.956 251 HG21 ILE 30 1HG2 ILE 30 0.523 1.572 3.298 252 HG22 ILE 30 2HG2 ILE 30 -0.286 2.058 4.787 253 HG23 ILE 30 3HG2 ILE 30 1.486 2.096 4.691 254 HD11 ILE 30 3HD1 ILE 30 3.043 -1.346 2.784 255 HD12 ILE 30 1HD1 ILE 30 1.279 -1.363 2.593 256 HD13 ILE 30 2HD1 ILE 30 2.179 0.167 2.466 257 H GLN 31 H GLN 31 -0.035 2.317 7.499 258 HA GLN 31 HA GLN 31 2.812 2.980 7.909 259 HB2 GLN 31 HB2 GLN 31 0.244 4.567 8.052 260 HB3 GLN 31 HB3 GLN 31 1.746 5.188 8.730 261 HG2 GLN 31 HG2 GLN 31 2.529 5.787 6.710 262 HG3 GLN 31 HG3 GLN 31 2.342 4.156 6.094 263 HE21 GLN 31 1HE2 GLN 31 1.335 4.314 4.120 264 HE22 GLN 31 2HE2 GLN 31 -0.205 5.168 3.946 265 H ASP 32 H ASP 32 0.027 2.090 9.869 266 HA ASP 32 HA ASP 32 1.462 2.298 12.399 267 HB2 ASP 32 HB2 ASP 32 -1.175 1.368 11.457 268 HB3 ASP 32 HB3 ASP 32 -0.506 0.317 12.664 269 H LYS 33 H LYS 33 0.896 -0.415 10.091 270 HA LYS 33 HA LYS 33 2.141 -2.297 11.837 271 HB2 LYS 33 HB2 LYS 33 0.572 -2.537 9.610 272 HB3 LYS 33 HB3 LYS 33 2.125 -2.933 8.904 273 HG2 LYS 33 HG2 LYS 33 0.613 -4.319 11.143 274 HG3 LYS 33 HG3 LYS 33 1.060 -4.978 9.573 275 HD2 LYS 33 HD2 LYS 33 3.472 -4.976 10.310 276 HD3 LYS 33 HD3 LYS 33 2.929 -4.398 11.903 277 HE2 LYS 33 HE2 LYS 33 1.399 -6.417 12.006 278 HE3 LYS 33 HE3 LYS 33 2.275 -7.058 10.602 279 HZ1 LYS 33 HZ1 LYS 33 3.539 -6.295 13.188 280 HZ2 LYS 33 HZ2 LYS 33 4.336 -6.999 11.949 281 HZ3 LYS 33 HZ3 LYS 33 3.208 -7.836 12.748 282 H GLU 34 H GLU 34 3.549 -0.526 9.081 283 HA GLU 34 HA GLU 34 6.266 -1.427 9.981 284 HB2 GLU 34 HB2 GLU 34 5.479 -2.761 8.026 285 HB3 GLU 34 HB3 GLU 34 5.232 -1.274 7.127 286 HG2 GLU 34 HG2 GLU 34 7.264 -2.258 6.403 287 HG3 GLU 34 HG3 GLU 34 7.666 -0.775 7.243 288 H GLY 35 H GLY 35 4.423 1.049 8.167 289 HA2 GLY 35 HA2 GLY 35 4.884 3.419 8.528 290 HA3 GLY 35 HA3 GLY 35 6.573 3.046 8.814 291 H ILE 36 H ILE 36 4.273 2.275 6.139 292 HA ILE 36 HA ILE 36 6.263 3.331 4.161 293 HB ILE 36 HB ILE 36 3.859 1.576 3.652 294 HG12 ILE 36 2HG1 ILE 36 5.378 0.269 5.014 295 HG13 ILE 36 3HG1 ILE 36 5.378 -0.314 3.363 296 HG21 ILE 36 1HG2 ILE 36 4.547 2.834 1.660 297 HG22 ILE 36 2HG2 ILE 36 6.210 2.248 1.848 298 HG23 ILE 36 3HG2 ILE 36 4.898 1.117 1.476 299 HD11 ILE 36 3HD1 ILE 36 7.636 -0.324 4.325 300 HD12 ILE 36 1HD1 ILE 36 7.566 0.777 2.944 301 HD13 ILE 36 2HD1 ILE 36 7.561 1.422 4.602 302 HA PRO 37 HA PRO 37 2.961 6.580 4.201 303 HB2 PRO 37 HB2 PRO 37 4.479 8.836 4.269 304 HB3 PRO 37 HB3 PRO 37 4.212 7.822 5.723 305 HG2 PRO 37 HG2 PRO 37 6.579 7.729 3.805 306 HG3 PRO 37 HG3 PRO 37 6.614 7.888 5.594 307 HD2 PRO 37 HD2 PRO 37 6.888 5.465 4.405 308 HD3 PRO 37 HD3 PRO 37 5.941 5.671 5.910 309 HA PRO 38 HA PRO 38 2.940 7.324 -0.130 310 HB2 PRO 38 HB2 PRO 38 1.382 9.569 -0.428 311 HB3 PRO 38 HB3 PRO 38 0.750 7.982 0.098 312 HG2 PRO 38 HG2 PRO 38 1.576 10.323 1.848 313 HG3 PRO 38 HG3 PRO 38 0.052 9.377 1.913 314 HD2 PRO 38 HD2 PRO 38 2.121 8.818 3.572 315 HD3 PRO 38 HD3 PRO 38 1.149 7.501 2.854 316 H ASP 39 H ASP 39 4.099 10.033 1.866 317 HA ASP 39 HA ASP 39 5.284 11.498 -0.311 318 HB2 ASP 39 HB2 ASP 39 5.335 11.867 2.653 319 HB3 ASP 39 HB3 ASP 39 6.376 12.816 1.600 320 H GLN 40 H GLN 40 6.201 8.688 0.096 321 HA GLN 40 HA GLN 40 9.015 9.271 -0.666 322 HB2 GLN 40 HB2 GLN 40 8.837 8.777 1.872 323 HB3 GLN 40 HB3 GLN 40 8.320 7.160 1.411 324 HG2 GLN 40 HG2 GLN 40 10.532 6.766 1.714 325 HG3 GLN 40 HG3 GLN 40 10.602 7.157 0.021 326 HE21 GLN 40 1HE2 GLN 40 10.241 10.217 0.806 327 HE22 GLN 40 2HE2 GLN 40 11.883 10.596 1.301 328 H ASN 41 H ASN 41 6.441 6.778 -0.373 329 HA ASN 41 HA ASN 41 7.300 5.439 -2.862 330 HB2 ASN 41 HB2 ASN 41 7.430 3.277 -1.324 331 HB3 ASN 41 HB3 ASN 41 8.812 4.319 -1.558 332 HD21 ASN 41 1HD2 ASN 41 6.064 4.958 0.783 333 HD22 ASN 41 2HD2 ASN 41 7.190 4.831 2.125 334 H ARG 42 H ARG 42 5.791 3.453 -3.341 335 HA ARG 42 HA ARG 42 3.051 3.812 -2.304 336 HB2 ARG 42 HB2 ARG 42 2.123 4.680 -4.362 337 HB3 ARG 42 HB3 ARG 42 3.394 5.754 -3.791 338 HG2 ARG 42 HG2 ARG 42 4.935 4.391 -5.480 339 HG3 ARG 42 HG3 ARG 42 3.387 3.896 -6.177 340 HD2 ARG 42 HD2 ARG 42 2.824 6.431 -6.209 341 HD3 ARG 42 HD3 ARG 42 4.540 6.697 -5.918 342 HE ARG 42 HE ARG 42 4.960 5.351 -8.033 343 HH11 ARG 42 1HH1 ARG 42 2.125 7.451 -7.877 344 HH12 ARG 42 2HH1 ARG 42 1.497 6.782 -9.377 345 HH21 ARG 42 1HH2 ARG 42 4.284 5.124 -10.254 346 HH22 ARG 42 2HH2 ARG 42 2.667 5.687 -10.630 347 H LEU 43 H LEU 43 1.665 2.173 -2.819 348 HA LEU 43 HA LEU 43 2.882 -0.365 -3.609 349 HB2 LEU 43 HB2 LEU 43 0.256 0.570 -2.441 350 HB3 LEU 43 HB3 LEU 43 0.295 -0.980 -3.261 351 HG LEU 43 HG LEU 43 1.935 -1.885 -1.779 352 HD11 LEU 43 1HD1 LEU 43 3.314 0.106 -1.286 353 HD12 LEU 43 2HD1 LEU 43 2.788 -0.692 0.191 354 HD13 LEU 43 3HD1 LEU 43 1.984 0.804 -0.336 355 HD21 LEU 43 3HD2 LEU 43 -0.483 -1.844 -1.073 356 HD22 LEU 43 1HD2 LEU 43 -0.146 -0.387 -0.125 357 HD23 LEU 43 2HD2 LEU 43 0.649 -1.926 0.281 358 H ILE 44 H ILE 44 2.942 -1.213 -5.527 359 HA ILE 44 HA ILE 44 0.828 -0.515 -7.572 360 HB ILE 44 HB ILE 44 3.561 -1.728 -8.069 361 HG12 ILE 44 2HG1 ILE 44 3.896 0.537 -7.325 362 HG13 ILE 44 3HG1 ILE 44 4.240 0.392 -9.038 363 HG21 ILE 44 1HG2 ILE 44 2.016 -2.386 -9.814 364 HG22 ILE 44 2HG2 ILE 44 1.437 -0.716 -10.010 365 HG23 ILE 44 3HG2 ILE 44 3.097 -1.155 -10.452 366 HD11 ILE 44 3HD1 ILE 44 1.713 1.632 -7.866 367 HD12 ILE 44 1HD1 ILE 44 3.100 2.501 -8.536 368 HD13 ILE 44 2HD1 ILE 44 2.099 1.498 -9.597 369 H PHE 45 H PHE 45 -0.417 -2.109 -8.508 370 HA PHE 45 HA PHE 45 0.223 -4.932 -7.846 371 HB2 PHE 45 HB2 PHE 45 -1.475 -4.492 -6.335 372 HB3 PHE 45 HB3 PHE 45 -2.430 -3.622 -7.522 373 HD1 PHE 45 HD1 PHE 45 -1.217 -7.032 -6.589 374 HD2 PHE 45 HD2 PHE 45 -4.034 -4.723 -8.908 375 HE1 PHE 45 HE1 PHE 45 -2.525 -9.088 -7.059 376 HE2 PHE 45 HE2 PHE 45 -5.346 -6.784 -9.355 377 HZ PHE 45 HZ PHE 45 -4.597 -8.965 -8.431 378 H ALA 46 H ALA 46 0.778 -6.008 -9.560 379 HA ALA 46 HA ALA 46 1.198 -6.444 -11.760 380 HB1 ALA 46 HB1 ALA 46 -0.760 -7.310 -12.926 381 HB2 ALA 46 HB2 ALA 46 -0.800 -7.762 -11.212 382 HB3 ALA 46 HB3 ALA 46 -1.836 -6.447 -11.811 383 H GLY 47 H GLY 47 1.716 -3.802 -11.499 384 HA2 GLY 47 HA2 GLY 47 2.215 -2.002 -12.856 385 HA3 GLY 47 HA3 GLY 47 1.313 -2.761 -14.169 386 H LYS 48 H LYS 48 -1.124 -2.770 -12.106 387 HA LYS 48 HA LYS 48 -2.127 -0.063 -12.685 388 HB2 LYS 48 HB2 LYS 48 -3.266 -2.617 -11.694 389 HB3 LYS 48 HB3 LYS 48 -3.906 -1.213 -10.873 390 HG2 LYS 48 HG2 LYS 48 -3.864 -1.416 -13.915 391 HG3 LYS 48 HG3 LYS 48 -5.151 -2.100 -12.919 392 HD2 LYS 48 HD2 LYS 48 -5.535 0.203 -11.930 393 HD3 LYS 48 HD3 LYS 48 -4.432 0.849 -13.159 394 HE2 LYS 48 HE2 LYS 48 -5.899 -0.055 -14.957 395 HE3 LYS 48 HE3 LYS 48 -6.935 -0.802 -13.744 396 HZ1 LYS 48 HZ1 LYS 48 -6.672 2.131 -14.222 397 HZ2 LYS 48 HZ2 LYS 48 -7.432 1.481 -12.919 398 HZ3 LYS 48 HZ3 LYS 48 -8.002 1.171 -14.387 399 H GLN 49 H GLN 49 -2.196 1.583 -11.357 400 HA GLN 49 HA GLN 49 -0.882 1.574 -8.701 401 HB2 GLN 49 HB2 GLN 49 -2.534 3.769 -10.061 402 HB3 GLN 49 HB3 GLN 49 -1.375 3.968 -8.745 403 HG2 GLN 49 HG2 GLN 49 0.476 3.359 -10.308 404 HG3 GLN 49 HG3 GLN 49 -0.683 3.190 -11.626 405 HE21 GLN 49 1HE2 GLN 49 -2.227 5.389 -11.789 406 HE22 GLN 49 2HE2 GLN 49 -1.225 6.822 -11.799 407 H LEU 50 H LEU 50 -2.187 2.208 -6.757 408 HA LEU 50 HA LEU 50 -5.021 1.243 -6.908 409 HB2 LEU 50 HB2 LEU 50 -2.960 0.832 -4.718 410 HB3 LEU 50 HB3 LEU 50 -4.665 0.399 -4.605 411 HG LEU 50 HG LEU 50 -2.667 -0.810 -6.572 412 HD11 LEU 50 1HD1 LEU 50 -2.970 -2.828 -5.190 413 HD12 LEU 50 2HD1 LEU 50 -4.039 -1.937 -4.094 414 HD13 LEU 50 3HD1 LEU 50 -2.321 -1.487 -4.228 415 HD21 LEU 50 3HD2 LEU 50 -4.489 -2.471 -7.004 416 HD22 LEU 50 1HD2 LEU 50 -4.916 -0.859 -7.562 417 HD23 LEU 50 2HD2 LEU 50 -5.600 -1.479 -6.040 418 H GLU 51 H GLU 51 -6.122 3.039 -7.014 419 HA GLU 51 HA GLU 51 -5.615 5.319 -5.201 420 HB2 GLU 51 HB2 GLU 51 -6.039 5.452 -7.693 421 HB3 GLU 51 HB3 GLU 51 -7.723 4.995 -7.359 422 HG2 GLU 51 HG2 GLU 51 -7.972 7.018 -5.933 423 HG3 GLU 51 HG3 GLU 51 -6.287 7.449 -6.246 424 H ASP 52 H ASP 52 -7.034 6.063 -3.640 425 HA ASP 52 HA ASP 52 -8.762 4.222 -2.361 426 HB2 ASP 52 HB2 ASP 52 -9.444 6.362 -0.998 427 HB3 ASP 52 HB3 ASP 52 -7.963 5.474 -0.767 428 H GLY 53 H GLY 53 -10.973 4.806 -1.523 429 HA2 GLY 53 HA2 GLY 53 -13.226 5.272 -2.000 430 HA3 GLY 53 HA3 GLY 53 -12.809 5.695 -3.655 431 H ARG 54 H ARG 54 -11.236 2.963 -3.657 432 HA ARG 54 HA ARG 54 -13.532 1.151 -4.297 433 HB2 ARG 54 HB2 ARG 54 -10.563 0.946 -4.905 434 HB3 ARG 54 HB3 ARG 54 -11.800 -0.184 -5.437 435 HG2 ARG 54 HG2 ARG 54 -12.897 2.074 -6.415 436 HG3 ARG 54 HG3 ARG 54 -11.200 2.578 -6.413 437 HD2 ARG 54 HD2 ARG 54 -10.809 0.259 -7.630 438 HD3 ARG 54 HD3 ARG 54 -12.542 0.307 -7.928 439 HE ARG 54 HE ARG 54 -10.508 1.720 -9.347 440 HH11 ARG 54 1HH1 ARG 54 -13.745 2.495 -8.169 441 HH12 ARG 54 2HH1 ARG 54 -13.734 4.001 -9.096 442 HH21 ARG 54 1HH2 ARG 54 -10.753 3.591 -10.590 443 HH22 ARG 54 2HH2 ARG 54 -12.221 4.518 -10.353 444 H THR 55 H THR 55 -13.011 -1.200 -3.899 445 HA THR 55 HA THR 55 -11.817 -1.697 -1.218 446 HB THR 55 HB THR 55 -13.156 -3.420 -0.719 447 HG1 THR 55 HG1 THR 55 -14.590 -4.106 -2.705 448 HG21 THR 55 1HG2 THR 55 -14.577 -1.362 -0.886 449 HG22 THR 55 2HG2 THR 55 -15.472 -2.873 -1.097 450 HG23 THR 55 3HG2 THR 55 -15.078 -1.877 -2.515 451 H LEU 56 H LEU 56 -10.847 -3.951 -0.898 452 HA LEU 56 HA LEU 56 -8.731 -4.507 -2.793 453 HB2 LEU 56 HB2 LEU 56 -10.074 -6.099 -0.581 454 HB3 LEU 56 HB3 LEU 56 -8.712 -6.745 -1.494 455 HG LEU 56 HG LEU 56 -8.554 -4.140 0.092 456 HD11 LEU 56 1HD1 LEU 56 -7.631 -6.945 0.858 457 HD12 LEU 56 2HD1 LEU 56 -9.005 -6.071 1.570 458 HD13 LEU 56 3HD1 LEU 56 -7.373 -5.449 1.789 459 HD21 LEU 56 3HD2 LEU 56 -6.429 -5.964 -1.135 460 HD22 LEU 56 1HD2 LEU 56 -6.093 -4.572 -0.091 461 HD23 LEU 56 2HD2 LEU 56 -6.839 -4.321 -1.672 462 H SER 57 H SER 57 -11.809 -6.265 -2.165 463 HA SER 57 HA SER 57 -11.636 -8.110 -4.318 464 HB2 SER 57 HB2 SER 57 -13.315 -8.211 -2.486 465 HB3 SER 57 HB3 SER 57 -14.123 -6.772 -3.150 466 HG SER 57 HG SER 57 -14.301 -8.068 -5.150 467 H ASP 58 H ASP 58 -12.560 -4.701 -4.384 468 HA ASP 58 HA ASP 58 -13.831 -4.539 -6.961 469 HB2 ASP 58 HB2 ASP 58 -13.136 -2.793 -4.857 470 HB3 ASP 58 HB3 ASP 58 -12.159 -2.229 -6.172 471 H TYR 59 H TYR 59 -10.418 -4.345 -5.935 472 HA TYR 59 HA TYR 59 -9.485 -4.120 -8.695 473 HB2 TYR 59 HB2 TYR 59 -8.060 -3.946 -6.076 474 HB3 TYR 59 HB3 TYR 59 -7.186 -4.145 -7.571 475 HD1 TYR 59 HD2 TYR 59 -7.373 -2.412 -9.419 476 HD2 TYR 59 HD1 TYR 59 -8.825 -1.787 -5.418 477 HE1 TYR 59 HE2 TYR 59 -7.226 0.069 -9.751 478 HE2 TYR 59 HE1 TYR 59 -8.623 0.692 -5.747 479 HH TYR 59 HH TYR 59 -8.172 2.347 -7.136 480 H ASN 60 H ASN 60 -10.816 -6.623 -7.482 481 HA ASN 60 HA ASN 60 -10.712 -8.852 -7.580 482 HB2 ASN 60 HB2 ASN 60 -10.088 -8.106 -10.040 483 HB3 ASN 60 HB3 ASN 60 -8.501 -8.788 -9.657 484 HD21 ASN 60 1HD2 ASN 60 -8.869 -11.115 -8.490 485 HD22 ASN 60 2HD2 ASN 60 -9.887 -12.179 -9.487 486 H ILE 61 H ILE 61 -8.863 -7.423 -5.659 487 HA ILE 61 HA ILE 61 -6.521 -9.194 -5.468 488 HB ILE 61 HB ILE 61 -7.357 -6.941 -3.612 489 HG12 ILE 61 2HG1 ILE 61 -5.516 -6.911 -6.042 490 HG13 ILE 61 3HG1 ILE 61 -7.056 -6.087 -5.896 491 HG21 ILE 61 1HG2 ILE 61 -4.678 -8.339 -4.028 492 HG22 ILE 61 2HG2 ILE 61 -5.005 -7.032 -2.870 493 HG23 ILE 61 3HG2 ILE 61 -5.764 -8.600 -2.641 494 HD11 ILE 61 3HD1 ILE 61 -5.330 -4.463 -5.630 495 HD12 ILE 61 1HD1 ILE 61 -6.120 -4.678 -4.058 496 HD13 ILE 61 2HD1 ILE 61 -4.522 -5.404 -4.375 497 H GLN 62 H GLN 62 -6.757 -11.148 -4.656 498 HA GLN 62 HA GLN 62 -8.704 -11.688 -2.468 499 HB2 GLN 62 HB2 GLN 62 -8.523 -14.001 -3.086 500 HB3 GLN 62 HB3 GLN 62 -8.903 -13.040 -4.499 501 HG2 GLN 62 HG2 GLN 62 -6.038 -13.909 -3.889 502 HG3 GLN 62 HG3 GLN 62 -7.180 -14.960 -4.715 503 HE21 GLN 62 1HE2 GLN 62 -7.985 -14.325 -6.856 504 HE22 GLN 62 2HE2 GLN 62 -7.132 -13.050 -7.736 505 H LYS 63 H LYS 63 -7.767 -13.810 -1.172 506 HA LYS 63 HA LYS 63 -5.662 -12.891 0.594 507 HB2 LYS 63 HB2 LYS 63 -6.122 -14.827 1.826 508 HB3 LYS 63 HB3 LYS 63 -7.642 -14.607 0.968 509 HG2 LYS 63 HG2 LYS 63 -6.765 -16.219 -0.816 510 HG3 LYS 63 HG3 LYS 63 -5.438 -16.573 0.302 511 HD2 LYS 63 HD2 LYS 63 -7.295 -17.148 2.024 512 HD3 LYS 63 HD3 LYS 63 -8.390 -17.155 0.638 513 HE2 LYS 63 HE2 LYS 63 -6.011 -18.969 1.217 514 HE3 LYS 63 HE3 LYS 63 -7.705 -19.422 1.011 515 HZ1 LYS 63 HZ1 LYS 63 -5.778 -18.551 -1.046 516 HZ2 LYS 63 HZ2 LYS 63 -7.396 -18.657 -1.391 517 HZ3 LYS 63 HZ3 LYS 63 -6.481 -19.972 -0.972 518 H GLU 64 H GLU 64 -3.565 -13.840 0.903 519 HA GLU 64 HA GLU 64 -1.518 -14.628 0.322 520 HB2 GLU 64 HB2 GLU 64 -2.964 -16.415 -1.654 521 HB3 GLU 64 HB3 GLU 64 -1.284 -16.571 -1.208 522 HG2 GLU 64 HG2 GLU 64 -1.675 -17.482 0.852 523 HG3 GLU 64 HG3 GLU 64 -3.201 -16.644 1.081 524 H SER 65 H SER 65 -3.066 -12.487 -1.480 525 HA SER 65 HA SER 65 -1.760 -12.624 -4.007 526 HB2 SER 65 HB2 SER 65 -2.839 -10.407 -4.337 527 HB3 SER 65 HB3 SER 65 -3.933 -11.654 -3.844 528 HG SER 65 HG SER 65 -4.336 -10.598 -2.125 529 H THR 66 H THR 66 -0.409 -11.166 -5.021 530 HA THR 66 HA THR 66 1.669 -10.038 -3.268 531 HB THR 66 HB THR 66 2.428 -10.880 -5.991 532 HG1 THR 66 HG1 THR 66 2.848 -12.970 -4.665 533 HG21 THR 66 1HG2 THR 66 3.747 -11.183 -3.275 534 HG22 THR 66 2HG2 THR 66 4.064 -9.876 -4.436 535 HG23 THR 66 3HG2 THR 66 4.480 -11.549 -4.856 536 H LEU 67 H LEU 67 1.710 -7.918 -3.120 537 HA LEU 67 HA LEU 67 1.360 -6.247 -5.575 538 HB2 LEU 67 HB2 LEU 67 1.611 -5.495 -2.630 539 HB3 LEU 67 HB3 LEU 67 1.452 -4.379 -3.974 540 HG LEU 67 HG LEU 67 -0.748 -5.856 -4.486 541 HD11 LEU 67 1HD1 LEU 67 -0.495 -7.394 -2.540 542 HD12 LEU 67 2HD1 LEU 67 -1.930 -6.386 -2.378 543 HD13 LEU 67 3HD1 LEU 67 -0.464 -6.002 -1.446 544 HD21 LEU 67 3HD2 LEU 67 -0.662 -3.429 -4.131 545 HD22 LEU 67 1HD2 LEU 67 -0.560 -3.688 -2.371 546 HD23 LEU 67 2HD2 LEU 67 -2.030 -4.153 -3.259 547 H HIS 68 H HIS 68 2.969 -4.750 -6.198 548 HA HIS 68 HA HIS 68 5.750 -5.056 -5.142 549 HB2 HIS 68 HB2 HIS 68 4.734 -3.805 -7.698 550 HB3 HIS 68 HB3 HIS 68 6.236 -3.374 -6.980 551 HD1 HIS 68 HD1 HIS 68 4.863 -6.847 -8.110 552 HD2 HIS 68 HD2 HIS 68 8.321 -4.502 -7.768 553 HE1 HIS 68 HE1 HIS 68 6.770 -8.235 -9.091 554 H LEU 69 H LEU 69 6.814 -3.522 -4.491 555 HA LEU 69 HA LEU 69 5.318 -1.025 -3.973 556 HB2 LEU 69 HB2 LEU 69 6.644 -2.083 -2.144 557 HB3 LEU 69 HB3 LEU 69 8.067 -1.884 -3.138 558 HG LEU 69 HG LEU 69 7.898 0.572 -2.901 559 HD11 LEU 69 1HD1 LEU 69 5.450 0.743 -2.527 560 HD12 LEU 69 2HD1 LEU 69 6.318 1.438 -1.156 561 HD13 LEU 69 3HD1 LEU 69 5.617 -0.175 -1.023 562 HD21 LEU 69 3HD2 LEU 69 9.285 -0.715 -1.382 563 HD22 LEU 69 1HD2 LEU 69 7.887 -0.987 -0.306 564 HD23 LEU 69 2HD2 LEU 69 8.535 0.650 -0.546 565 H VAL 70 H VAL 70 6.046 0.905 -4.744 566 HA VAL 70 HA VAL 70 8.841 0.846 -5.587 567 HB VAL 70 HB VAL 70 7.194 2.935 -6.966 568 HG11 VAL 70 1HG1 VAL 70 9.682 3.235 -7.271 569 HG12 VAL 70 2HG1 VAL 70 9.789 1.510 -7.720 570 HG13 VAL 70 3HG1 VAL 70 8.962 2.689 -8.727 571 HG21 VAL 70 3HG2 VAL 70 7.004 1.622 -8.997 572 HG22 VAL 70 1HG2 VAL 70 7.552 0.178 -8.117 573 HG23 VAL 70 2HG2 VAL 70 6.041 1.000 -7.671 574 H LEU 71 H LEU 71 9.861 2.965 -5.604 575 HA LEU 71 HA LEU 71 9.174 4.998 -3.739 576 HB2 LEU 71 HB2 LEU 71 10.884 4.710 -6.099 577 HB3 LEU 71 HB3 LEU 71 10.240 6.282 -6.012 578 HG LEU 71 HG LEU 71 12.550 5.495 -4.947 579 HD11 LEU 71 1HD1 LEU 71 10.814 7.679 -3.765 580 HD12 LEU 71 2HD1 LEU 71 11.875 7.794 -5.197 581 HD13 LEU 71 3HD1 LEU 71 12.569 7.530 -3.595 582 HD21 LEU 71 3HD2 LEU 71 12.604 5.271 -2.593 583 HD22 LEU 71 1HD2 LEU 71 11.510 4.026 -3.192 584 HD23 LEU 71 2HD2 LEU 71 10.859 5.501 -2.428 585 H ARG 72 H ARG 72 8.529 7.063 -4.101 586 HA ARG 72 HA ARG 72 6.570 7.483 -6.318 587 HB2 ARG 72 HB2 ARG 72 5.734 7.996 -4.121 588 HB3 ARG 72 HB3 ARG 72 7.088 9.073 -3.790 589 HG2 ARG 72 HG2 ARG 72 6.307 10.715 -5.383 590 HG3 ARG 72 HG3 ARG 72 5.081 9.598 -6.041 591 HD2 ARG 72 HD2 ARG 72 3.817 9.616 -4.012 592 HD3 ARG 72 HD3 ARG 72 5.181 10.310 -3.120 593 HE ARG 72 HE ARG 72 4.087 12.131 -5.138 594 HH11 ARG 72 1HH1 ARG 72 3.671 10.883 -1.907 595 HH12 ARG 72 2HH1 ARG 72 3.290 12.441 -1.212 596 HH21 ARG 72 1HH2 ARG 72 3.355 14.209 -4.131 597 HH22 ARG 72 2HH2 ARG 72 2.951 14.112 -2.443 598 H LEU 73 H LEU 73 9.702 8.760 -5.225 599 HA LEU 73 HA LEU 73 11.082 10.339 -6.145 600 HB2 LEU 73 HB2 LEU 73 11.165 8.194 -7.602 601 HB3 LEU 73 HB3 LEU 73 10.263 9.124 -8.784 602 HG LEU 73 HG LEU 73 12.273 10.901 -8.376 603 HD11 LEU 73 1HD1 LEU 73 13.584 8.214 -7.799 604 HD12 LEU 73 2HD1 LEU 73 13.353 9.519 -6.607 605 HD13 LEU 73 3HD1 LEU 73 14.398 9.775 -8.013 606 HD21 LEU 73 3HD2 LEU 73 13.460 9.905 -10.280 607 HD22 LEU 73 1HD2 LEU 73 11.711 9.889 -10.541 608 HD23 LEU 73 2HD2 LEU 73 12.554 8.389 -10.076 609 H ARG 74 H ARG 74 8.747 11.655 -5.596 610 HA ARG 74 HA ARG 74 7.382 13.434 -6.011 611 HB2 ARG 74 HB2 ARG 74 9.620 14.291 -7.875 612 HB3 ARG 74 HB3 ARG 74 8.267 15.297 -7.389 613 HG2 ARG 74 HG2 ARG 74 8.953 15.060 -4.990 614 HG3 ARG 74 HG3 ARG 74 10.370 14.145 -5.522 615 HD2 ARG 74 HD2 ARG 74 10.999 16.461 -5.129 616 HD3 ARG 74 HD3 ARG 74 11.142 16.080 -6.850 617 HE ARG 74 HE ARG 74 8.548 17.233 -6.187 618 HH11 ARG 74 1HH1 ARG 74 11.836 18.211 -6.829 619 HH12 ARG 74 2HH1 ARG 74 11.318 19.652 -7.655 620 HH21 ARG 74 1HH2 ARG 74 7.963 19.131 -7.128 621 HH22 ARG 74 2HH2 ARG 74 9.157 20.301 -7.561 622 H GLY 75 H GLY 75 7.337 11.067 -8.203 623 HA2 GLY 75 HA2 GLY 75 6.237 12.291 -10.519 624 HA3 GLY 75 HA3 GLY 75 6.168 10.584 -10.107 625 H GLY 76 H GLY 76 4.259 12.445 -11.364 626 HA2 GLY 76 HA2 GLY 76 1.791 11.395 -10.406 627 HA3 GLY 76 HA3 GLY 76 1.943 13.108 -9.955 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -8.010 -9.637 6.332 2 H2 MET 1 H2 MET 1 -7.745 -10.985 7.245 3 H3 MET 1 H3 MET 1 -8.846 -11.042 6.029 4 HA MET 1 HA MET 1 -6.700 -12.152 5.488 5 HB2 MET 1 HB2 MET 1 -6.446 -11.148 3.290 6 HB3 MET 1 HB3 MET 1 -8.139 -11.465 3.647 7 HG2 MET 1 HG2 MET 1 -8.689 -9.209 3.647 8 HG3 MET 1 HG3 MET 1 -7.117 -8.738 4.273 9 HE1 MET 1 HE1 MET 1 -8.250 -9.005 -0.171 10 HE2 MET 1 HE2 MET 1 -8.626 -10.380 0.896 11 HE3 MET 1 HE3 MET 1 -9.355 -8.781 1.197 12 H GLN 2 H GLN 2 -4.363 -11.698 4.788 13 HA GLN 2 HA GLN 2 -3.452 -8.996 5.579 14 HB2 GLN 2 HB2 GLN 2 -1.311 -9.837 5.860 15 HB3 GLN 2 HB3 GLN 2 -2.375 -10.768 6.888 16 HG2 GLN 2 HG2 GLN 2 -1.626 -11.888 4.151 17 HG3 GLN 2 HG3 GLN 2 -0.415 -11.847 5.411 18 HE21 GLN 2 1HE2 GLN 2 -0.368 -13.454 6.851 19 HE22 GLN 2 2HE2 GLN 2 -1.598 -14.724 6.939 20 H ILE 3 H ILE 3 -1.896 -7.995 4.261 21 HA ILE 3 HA ILE 3 -1.502 -9.001 1.483 22 HB ILE 3 HB ILE 3 -1.671 -6.765 0.579 23 HG12 ILE 3 2HG1 ILE 3 -2.430 -5.850 3.387 24 HG13 ILE 3 3HG1 ILE 3 -0.968 -5.424 2.494 25 HG21 ILE 3 1HG2 ILE 3 -4.074 -6.531 0.584 26 HG22 ILE 3 2HG2 ILE 3 -3.700 -8.252 0.718 27 HG23 ILE 3 3HG2 ILE 3 -4.208 -7.347 2.154 28 HD11 ILE 3 3HD1 ILE 3 -2.395 -4.258 0.789 29 HD12 ILE 3 1HD1 ILE 3 -3.801 -4.546 1.845 30 HD13 ILE 3 2HD1 ILE 3 -2.446 -3.562 2.418 31 H PHE 4 H PHE 4 0.508 -8.359 0.533 32 HA PHE 4 HA PHE 4 2.590 -7.678 2.524 33 HB2 PHE 4 HB2 PHE 4 2.840 -9.209 -0.077 34 HB3 PHE 4 HB3 PHE 4 4.132 -8.887 1.061 35 HD1 PHE 4 HD1 PHE 4 3.672 -9.712 3.581 36 HD2 PHE 4 HD2 PHE 4 1.788 -11.305 0.042 37 HE1 PHE 4 HE1 PHE 4 3.217 -11.836 4.774 38 HE2 PHE 4 HE2 PHE 4 1.378 -13.441 1.227 39 HZ PHE 4 HZ PHE 4 2.046 -13.698 3.608 40 H VAL 5 H VAL 5 4.265 -6.199 2.023 41 HA VAL 5 HA VAL 5 4.105 -4.836 -0.617 42 HB VAL 5 HB VAL 5 5.072 -3.337 1.793 43 HG11 VAL 5 1HG1 VAL 5 4.617 -1.388 0.372 44 HG12 VAL 5 2HG1 VAL 5 5.765 -2.469 -0.406 45 HG13 VAL 5 3HG1 VAL 5 4.069 -2.451 -0.943 46 HG21 VAL 5 3HG2 VAL 5 2.240 -3.355 0.689 47 HG22 VAL 5 1HG2 VAL 5 2.749 -3.845 2.319 48 HG23 VAL 5 2HG2 VAL 5 2.888 -2.154 1.830 49 H LYS 6 H LYS 6 5.879 -4.577 -1.799 50 HA LYS 6 HA LYS 6 8.413 -5.906 -0.944 51 HB2 LYS 6 HB2 LYS 6 7.674 -6.735 -3.050 52 HB3 LYS 6 HB3 LYS 6 7.017 -5.197 -3.514 53 HG2 LYS 6 HG2 LYS 6 8.631 -5.160 -4.962 54 HG3 LYS 6 HG3 LYS 6 9.548 -4.402 -3.702 55 HD2 LYS 6 HD2 LYS 6 9.537 -7.363 -4.523 56 HD3 LYS 6 HD3 LYS 6 10.747 -6.179 -4.989 57 HE2 LYS 6 HE2 LYS 6 11.564 -5.990 -2.707 58 HE3 LYS 6 HE3 LYS 6 10.290 -7.082 -2.119 59 HZ1 LYS 6 HZ1 LYS 6 12.358 -7.869 -4.136 60 HZ2 LYS 6 HZ2 LYS 6 11.233 -8.842 -3.513 61 HZ3 LYS 6 HZ3 LYS 6 12.439 -8.299 -2.565 62 H THR 7 H THR 7 9.719 -4.517 0.145 63 HA THR 7 HA THR 7 9.742 -1.680 -0.605 64 HB THR 7 HB THR 7 11.163 -1.244 1.198 65 HG1 THR 7 HG1 THR 7 12.490 -2.744 2.128 66 HG21 THR 7 1HG2 THR 7 8.922 -2.061 2.013 67 HG22 THR 7 2HG2 THR 7 10.249 -2.268 3.171 68 HG23 THR 7 3HG2 THR 7 9.652 -3.666 2.256 69 H LEU 8 H LEU 8 11.627 -0.515 -1.138 70 HA LEU 8 HA LEU 8 13.373 -1.620 -3.162 71 HB2 LEU 8 HB2 LEU 8 13.507 0.925 -1.491 72 HB3 LEU 8 HB3 LEU 8 14.543 0.594 -2.873 73 HG LEU 8 HG LEU 8 11.501 0.708 -3.107 74 HD11 LEU 8 1HD1 LEU 8 11.800 2.985 -3.971 75 HD12 LEU 8 2HD1 LEU 8 13.528 2.926 -3.560 76 HD13 LEU 8 3HD1 LEU 8 12.297 2.863 -2.276 77 HD21 LEU 8 3HD2 LEU 8 11.975 1.104 -5.492 78 HD22 LEU 8 1HD2 LEU 8 12.676 -0.435 -4.979 79 HD23 LEU 8 2HD2 LEU 8 13.723 0.985 -5.186 80 H THR 9 H THR 9 13.527 -1.572 0.315 81 HA THR 9 HA THR 9 16.346 -2.369 0.450 82 HB THR 9 HB THR 9 16.155 -2.389 2.804 83 HG1 THR 9 HG1 THR 9 14.264 -2.121 3.878 84 HG21 THR 9 1HG2 THR 9 14.487 -0.004 1.891 85 HG22 THR 9 2HG2 THR 9 16.256 -0.119 1.741 86 HG23 THR 9 3HG2 THR 9 15.501 -0.131 3.342 87 H GLY 10 H GLY 10 13.940 -4.029 -0.797 88 HA2 GLY 10 HA2 GLY 10 13.762 -6.257 -1.294 89 HA3 GLY 10 HA3 GLY 10 15.254 -6.547 -0.395 90 H LYS 11 H LYS 11 12.832 -5.061 1.535 91 HA LYS 11 HA LYS 11 12.356 -7.603 2.986 92 HB2 LYS 11 HB2 LYS 11 11.871 -4.683 3.665 93 HB3 LYS 11 HB3 LYS 11 11.244 -5.986 4.661 94 HG2 LYS 11 HG2 LYS 11 14.211 -5.621 4.037 95 HG3 LYS 11 HG3 LYS 11 13.391 -4.998 5.469 96 HD2 LYS 11 HD2 LYS 11 12.671 -7.372 6.003 97 HD3 LYS 11 HD3 LYS 11 13.755 -7.940 4.727 98 HE2 LYS 11 HE2 LYS 11 14.613 -6.235 7.110 99 HE3 LYS 11 HE3 LYS 11 14.659 -7.992 7.102 100 HZ1 LYS 11 HZ1 LYS 11 16.175 -6.302 5.184 101 HZ2 LYS 11 HZ2 LYS 11 16.231 -7.948 5.282 102 HZ3 LYS 11 HZ3 LYS 11 16.832 -7.056 6.490 103 H THR 12 H THR 12 10.384 -8.324 3.629 104 HA THR 12 HA THR 12 8.065 -7.632 1.921 105 HB THR 12 HB THR 12 8.297 -10.209 3.451 106 HG1 THR 12 HG1 THR 12 8.818 -11.059 1.375 107 HG21 THR 12 1HG2 THR 12 6.700 -10.997 1.758 108 HG22 THR 12 2HG2 THR 12 6.715 -9.397 0.973 109 HG23 THR 12 3HG2 THR 12 6.056 -9.593 2.615 110 H ILE 13 H ILE 13 7.106 -5.973 2.999 111 HA ILE 13 HA ILE 13 6.620 -6.082 5.895 112 HB ILE 13 HB ILE 13 5.259 -4.284 3.875 113 HG12 ILE 13 2HG1 ILE 13 7.628 -3.987 3.472 114 HG13 ILE 13 3HG1 ILE 13 6.923 -2.578 4.215 115 HG21 ILE 13 1HG2 ILE 13 4.186 -4.199 6.033 116 HG22 ILE 13 2HG2 ILE 13 5.742 -3.988 6.863 117 HG23 ILE 13 3HG2 ILE 13 5.104 -2.707 5.815 118 HD11 ILE 13 3HD1 ILE 13 9.152 -3.068 5.164 119 HD12 ILE 13 1HD1 ILE 13 7.918 -3.224 6.419 120 HD13 ILE 13 2HD1 ILE 13 8.613 -4.680 5.664 121 H THR 14 H THR 14 4.707 -6.739 6.908 122 HA THR 14 HA THR 14 2.489 -7.649 5.164 123 HB THR 14 HB THR 14 2.889 -8.996 7.805 124 HG1 THR 14 HG1 THR 14 4.735 -9.350 6.634 125 HG21 THR 14 1HG2 THR 14 0.709 -9.306 6.853 126 HG22 THR 14 2HG2 THR 14 1.644 -10.791 6.638 127 HG23 THR 14 3HG2 THR 14 1.395 -9.698 5.256 128 H LEU 15 H LEU 15 0.451 -7.037 5.489 129 HA LEU 15 HA LEU 15 -0.165 -5.371 7.905 130 HB2 LEU 15 HB2 LEU 15 -0.645 -4.785 4.961 131 HB3 LEU 15 HB3 LEU 15 -1.595 -4.004 6.221 132 HG LEU 15 HG LEU 15 1.430 -3.879 6.307 133 HD11 LEU 15 1HD1 LEU 15 0.727 -3.078 4.076 134 HD12 LEU 15 2HD1 LEU 15 1.308 -1.751 5.089 135 HD13 LEU 15 3HD1 LEU 15 -0.439 -1.972 4.838 136 HD21 LEU 15 3HD2 LEU 15 0.010 -3.167 8.287 137 HD22 LEU 15 1HD2 LEU 15 -0.684 -1.906 7.264 138 HD23 LEU 15 2HD2 LEU 15 1.060 -1.905 7.633 139 H GLU 16 H GLU 16 -1.913 -6.023 8.939 140 HA GLU 16 HA GLU 16 -3.832 -7.930 7.791 141 HB2 GLU 16 HB2 GLU 16 -3.886 -6.524 10.501 142 HB3 GLU 16 HB3 GLU 16 -4.778 -7.922 10.049 143 HG2 GLU 16 HG2 GLU 16 -3.045 -8.767 11.347 144 HG3 GLU 16 HG3 GLU 16 -2.468 -9.088 9.725 145 H VAL 17 H VAL 17 -5.724 -7.434 6.879 146 HA VAL 17 HA VAL 17 -7.026 -4.805 7.269 147 HB VAL 17 HB VAL 17 -7.265 -4.476 4.822 148 HG11 VAL 17 1HG1 VAL 17 -5.563 -3.227 6.077 149 HG12 VAL 17 2HG1 VAL 17 -4.359 -4.473 5.687 150 HG13 VAL 17 3HG1 VAL 17 -5.096 -3.506 4.395 151 HG21 VAL 17 3HG2 VAL 17 -5.184 -6.670 4.573 152 HG22 VAL 17 1HG2 VAL 17 -6.851 -6.657 3.932 153 HG23 VAL 17 2HG2 VAL 17 -5.646 -5.553 3.280 154 H GLU 18 H GLU 18 -9.118 -4.662 6.586 155 HA GLU 18 HA GLU 18 -10.659 -7.201 6.511 156 HB2 GLU 18 HB2 GLU 18 -11.577 -4.294 6.700 157 HB3 GLU 18 HB3 GLU 18 -12.639 -5.721 6.696 158 HG2 GLU 18 HG2 GLU 18 -11.496 -6.569 8.737 159 HG3 GLU 18 HG3 GLU 18 -10.470 -5.140 8.770 160 HA PRO 19 HA PRO 19 -10.863 -6.858 1.993 161 HB2 PRO 19 HB2 PRO 19 -13.222 -8.121 1.415 162 HB3 PRO 19 HB3 PRO 19 -11.757 -8.998 1.950 163 HG2 PRO 19 HG2 PRO 19 -14.109 -8.107 3.650 164 HG3 PRO 19 HG3 PRO 19 -13.346 -9.727 3.583 165 HD2 PRO 19 HD2 PRO 19 -12.696 -7.932 5.519 166 HD3 PRO 19 HD3 PRO 19 -11.440 -8.976 4.780 167 H SER 20 H SER 20 -13.338 -5.569 4.082 168 HA SER 20 HA SER 20 -14.482 -3.769 2.077 169 HB2 SER 20 HB2 SER 20 -14.790 -3.873 5.104 170 HB3 SER 20 HB3 SER 20 -15.776 -2.905 3.991 171 HG SER 20 HG SER 20 -16.752 -4.694 3.267 172 H ASP 21 H ASP 21 -11.493 -3.658 3.778 173 HA ASP 21 HA ASP 21 -11.423 -0.931 4.540 174 HB2 ASP 21 HB2 ASP 21 -9.241 -2.895 3.917 175 HB3 ASP 21 HB3 ASP 21 -8.884 -1.194 3.991 176 H THR 22 H THR 22 -11.409 0.903 3.554 177 HA THR 22 HA THR 22 -11.326 1.106 0.614 178 HB THR 22 HB THR 22 -11.333 3.606 1.202 179 HG1 THR 22 HG1 THR 22 -12.054 4.136 3.166 180 HG21 THR 22 1HG2 THR 22 -13.320 2.430 0.407 181 HG22 THR 22 2HG2 THR 22 -13.753 3.598 1.664 182 HG23 THR 22 3HG2 THR 22 -13.675 1.862 2.057 183 H ILE 23 H ILE 23 -9.663 2.249 -0.494 184 HA ILE 23 HA ILE 23 -7.027 1.621 0.283 185 HB ILE 23 HB ILE 23 -8.129 3.646 -1.694 186 HG12 ILE 23 2HG1 ILE 23 -8.650 1.468 -2.454 187 HG13 ILE 23 3HG1 ILE 23 -7.252 2.001 -3.368 188 HG21 ILE 23 1HG2 ILE 23 -5.868 3.670 -2.756 189 HG22 ILE 23 2HG2 ILE 23 -5.955 4.487 -1.206 190 HG23 ILE 23 3HG2 ILE 23 -5.220 2.859 -1.309 191 HD11 ILE 23 3HD1 ILE 23 -7.237 -0.055 -1.135 192 HD12 ILE 23 1HD1 ILE 23 -6.968 -0.317 -2.860 193 HD13 ILE 23 2HD1 ILE 23 -5.772 0.588 -1.919 194 H GLU 24 H GLU 24 -8.831 4.584 1.118 195 HA GLU 24 HA GLU 24 -6.608 5.992 2.227 196 HB2 GLU 24 HB2 GLU 24 -8.209 7.326 3.375 197 HB3 GLU 24 HB3 GLU 24 -8.716 7.069 1.713 198 HG2 GLU 24 HG2 GLU 24 -9.915 5.113 3.607 199 HG3 GLU 24 HG3 GLU 24 -10.221 6.755 4.086 200 H ASN 25 H ASN 25 -8.636 3.426 3.675 201 HA ASN 25 HA ASN 25 -7.510 3.659 6.339 202 HB2 ASN 25 HB2 ASN 25 -9.316 1.705 4.879 203 HB3 ASN 25 HB3 ASN 25 -8.552 1.206 6.359 204 HD21 ASN 25 1HD2 ASN 25 -11.198 3.004 5.074 205 HD22 ASN 25 2HD2 ASN 25 -11.717 3.604 6.646 206 H VAL 26 H VAL 26 -6.734 1.656 3.488 207 HA VAL 26 HA VAL 26 -4.565 0.243 4.746 208 HB VAL 26 HB VAL 26 -4.730 0.896 1.815 209 HG11 VAL 26 1HG1 VAL 26 -3.567 -1.477 3.344 210 HG12 VAL 26 2HG1 VAL 26 -3.599 -1.311 1.575 211 HG13 VAL 26 3HG1 VAL 26 -2.630 -0.195 2.547 212 HG21 VAL 26 3HG2 VAL 26 -6.130 -1.379 3.292 213 HG22 VAL 26 1HG2 VAL 26 -6.923 -0.057 2.422 214 HG23 VAL 26 2HG2 VAL 26 -5.984 -1.234 1.527 215 H LYS 27 H LYS 27 -4.608 3.330 2.931 216 HA LYS 27 HA LYS 27 -1.779 3.899 3.226 217 HB2 LYS 27 HB2 LYS 27 -4.268 5.589 2.712 218 HB3 LYS 27 HB3 LYS 27 -2.824 6.387 3.269 219 HG2 LYS 27 HG2 LYS 27 -2.576 6.697 1.072 220 HG3 LYS 27 HG3 LYS 27 -1.589 5.250 1.281 221 HD2 LYS 27 HD2 LYS 27 -3.362 3.856 0.362 222 HD3 LYS 27 HD3 LYS 27 -4.502 5.210 0.393 223 HE2 LYS 27 HE2 LYS 27 -1.967 5.282 -1.273 224 HE3 LYS 27 HE3 LYS 27 -3.475 4.608 -1.891 225 HZ1 LYS 27 HZ1 LYS 27 -4.533 6.710 -1.685 226 HZ2 LYS 27 HZ2 LYS 27 -3.122 6.969 -2.457 227 HZ3 LYS 27 HZ3 LYS 27 -3.272 7.397 -0.883 228 H ALA 28 H ALA 28 -4.415 4.152 5.548 229 HA ALA 28 HA ALA 28 -2.776 5.709 7.424 230 HB1 ALA 28 HB1 ALA 28 -4.629 5.373 8.975 231 HB2 ALA 28 HB2 ALA 28 -5.244 5.881 7.389 232 HB3 ALA 28 HB3 ALA 28 -5.377 4.184 7.894 233 H LYS 29 H LYS 29 -3.912 2.287 7.369 234 HA LYS 29 HA LYS 29 -2.607 1.401 9.692 235 HB2 LYS 29 HB2 LYS 29 -3.340 -0.062 7.115 236 HB3 LYS 29 HB3 LYS 29 -2.703 -0.895 8.533 237 HG2 LYS 29 HG2 LYS 29 -4.596 -0.241 9.891 238 HG3 LYS 29 HG3 LYS 29 -5.266 0.753 8.588 239 HD2 LYS 29 HD2 LYS 29 -5.785 -1.172 7.237 240 HD3 LYS 29 HD3 LYS 29 -4.707 -2.195 8.186 241 HE2 LYS 29 HE2 LYS 29 -6.606 -2.993 9.028 242 HE3 LYS 29 HE3 LYS 29 -6.378 -1.666 10.167 243 HZ1 LYS 29 HZ1 LYS 29 -8.625 -1.676 9.424 244 HZ2 LYS 29 HZ2 LYS 29 -8.253 -1.720 7.834 245 HZ3 LYS 29 HZ3 LYS 29 -7.968 -0.362 8.750 246 H ILE 30 H ILE 30 -1.098 1.697 6.492 247 HA ILE 30 HA ILE 30 1.271 0.268 7.174 248 HB ILE 30 HB ILE 30 0.442 0.993 4.861 249 HG12 ILE 30 2HG1 ILE 30 3.394 1.514 5.407 250 HG13 ILE 30 3HG1 ILE 30 2.696 -0.090 5.489 251 HG21 ILE 30 1HG2 ILE 30 2.051 3.513 5.346 252 HG22 ILE 30 2HG2 ILE 30 1.129 3.055 3.903 253 HG23 ILE 30 3HG2 ILE 30 0.279 3.436 5.401 254 HD11 ILE 30 3HD1 ILE 30 2.812 1.669 3.012 255 HD12 ILE 30 1HD1 ILE 30 3.663 0.144 3.303 256 HD13 ILE 30 2HD1 ILE 30 1.905 0.137 3.112 257 H GLN 31 H GLN 31 0.371 3.576 8.028 258 HA GLN 31 HA GLN 31 3.166 4.298 8.586 259 HB2 GLN 31 HB2 GLN 31 0.560 5.792 8.508 260 HB3 GLN 31 HB3 GLN 31 1.949 6.492 9.346 261 HG2 GLN 31 HG2 GLN 31 3.068 6.969 7.427 262 HG3 GLN 31 HG3 GLN 31 2.700 5.408 6.711 263 HE21 GLN 31 1HE2 GLN 31 1.785 5.732 4.754 264 HE22 GLN 31 2HE2 GLN 31 0.322 6.708 4.587 265 H ASP 32 H ASP 32 0.332 3.385 10.594 266 HA ASP 32 HA ASP 32 1.802 4.130 13.037 267 HB2 ASP 32 HB2 ASP 32 -0.821 3.780 12.504 268 HB3 ASP 32 HB3 ASP 32 -0.479 2.125 12.993 269 H LYS 33 H LYS 33 1.541 1.246 10.960 270 HA LYS 33 HA LYS 33 2.686 -0.551 12.948 271 HB2 LYS 33 HB2 LYS 33 1.014 -1.066 10.996 272 HB3 LYS 33 HB3 LYS 33 2.454 -1.195 9.995 273 HG2 LYS 33 HG2 LYS 33 3.370 -2.893 11.645 274 HG3 LYS 33 HG3 LYS 33 1.833 -2.805 12.522 275 HD2 LYS 33 HD2 LYS 33 0.639 -3.609 10.473 276 HD3 LYS 33 HD3 LYS 33 2.192 -3.660 9.613 277 HE2 LYS 33 HE2 LYS 33 1.964 -5.877 10.242 278 HE3 LYS 33 HE3 LYS 33 2.958 -5.236 11.550 279 HZ1 LYS 33 HZ1 LYS 33 0.779 -4.997 12.827 280 HZ2 LYS 33 HZ2 LYS 33 1.197 -6.560 12.383 281 HZ3 LYS 33 HZ3 LYS 33 0.057 -5.813 11.575 282 H GLU 34 H GLU 34 4.011 0.878 9.969 283 HA GLU 34 HA GLU 34 6.785 0.178 10.923 284 HB2 GLU 34 HB2 GLU 34 6.233 -1.336 9.140 285 HB3 GLU 34 HB3 GLU 34 5.600 -0.040 8.146 286 HG2 GLU 34 HG2 GLU 34 7.739 -0.818 7.321 287 HG3 GLU 34 HG3 GLU 34 7.785 0.880 7.742 288 H GLY 35 H GLY 35 4.803 2.558 9.168 289 HA2 GLY 35 HA2 GLY 35 5.191 4.904 9.274 290 HA3 GLY 35 HA3 GLY 35 6.856 4.625 9.744 291 H ILE 36 H ILE 36 4.916 3.574 6.872 292 HA ILE 36 HA ILE 36 6.949 4.862 5.084 293 HB ILE 36 HB ILE 36 4.825 2.829 4.389 294 HG12 ILE 36 2HG1 ILE 36 7.828 2.527 4.861 295 HG13 ILE 36 3HG1 ILE 36 6.543 1.849 5.857 296 HG21 ILE 36 1HG2 ILE 36 5.540 4.372 2.497 297 HG22 ILE 36 2HG2 ILE 36 7.189 3.741 2.716 298 HG23 ILE 36 3HG2 ILE 36 5.865 2.668 2.227 299 HD11 ILE 36 3HD1 ILE 36 5.839 0.397 3.968 300 HD12 ILE 36 1HD1 ILE 36 7.230 0.990 3.024 301 HD13 ILE 36 2HD1 ILE 36 7.492 0.098 4.528 302 HA PRO 37 HA PRO 37 3.449 7.823 4.846 303 HB2 PRO 37 HB2 PRO 37 4.756 10.187 5.045 304 HB3 PRO 37 HB3 PRO 37 4.528 9.105 6.455 305 HG2 PRO 37 HG2 PRO 37 6.956 9.297 4.634 306 HG3 PRO 37 HG3 PRO 37 6.915 9.382 6.426 307 HD2 PRO 37 HD2 PRO 37 7.446 7.044 5.129 308 HD3 PRO 37 HD3 PRO 37 6.469 7.109 6.631 309 HA PRO 38 HA PRO 38 3.433 8.719 0.513 310 HB2 PRO 38 HB2 PRO 38 1.759 10.866 0.304 311 HB3 PRO 38 HB3 PRO 38 1.214 9.223 0.744 312 HG2 PRO 38 HG2 PRO 38 1.876 11.521 2.616 313 HG3 PRO 38 HG3 PRO 38 0.411 10.488 2.608 314 HD2 PRO 38 HD2 PRO 38 2.466 9.958 4.278 315 HD3 PRO 38 HD3 PRO 38 1.603 8.628 3.457 316 H ASP 39 H ASP 39 4.287 11.485 2.608 317 HA ASP 39 HA ASP 39 5.288 13.204 0.554 318 HB2 ASP 39 HB2 ASP 39 4.694 13.538 3.142 319 HB3 ASP 39 HB3 ASP 39 6.389 13.138 3.393 320 H GLN 40 H GLN 40 6.547 10.214 1.734 321 HA GLN 40 HA GLN 40 9.352 10.790 0.799 322 HB2 GLN 40 HB2 GLN 40 8.859 10.523 3.287 323 HB3 GLN 40 HB3 GLN 40 8.570 8.831 2.953 324 HG2 GLN 40 HG2 GLN 40 11.111 9.865 1.782 325 HG3 GLN 40 HG3 GLN 40 11.016 10.125 3.510 326 HE21 GLN 40 1HE2 GLN 40 12.953 8.436 2.221 327 HE22 GLN 40 2HE2 GLN 40 12.563 6.794 2.682 328 H ASN 41 H ASN 41 6.650 8.425 0.660 329 HA ASN 41 HA ASN 41 7.809 7.177 -1.677 330 HB2 ASN 41 HB2 ASN 41 7.450 4.854 -0.232 331 HB3 ASN 41 HB3 ASN 41 8.962 5.554 -0.694 332 HD21 ASN 41 1HD2 ASN 41 7.080 6.894 2.105 333 HD22 ASN 41 2HD2 ASN 41 8.455 6.475 3.138 334 H ARG 42 H ARG 42 6.296 5.107 -2.400 335 HA ARG 42 HA ARG 42 3.472 5.737 -1.774 336 HB2 ARG 42 HB2 ARG 42 4.501 7.451 -3.483 337 HB3 ARG 42 HB3 ARG 42 4.356 6.138 -4.651 338 HG2 ARG 42 HG2 ARG 42 1.894 5.992 -4.079 339 HG3 ARG 42 HG3 ARG 42 2.105 7.361 -2.980 340 HD2 ARG 42 HD2 ARG 42 2.475 7.342 -5.997 341 HD3 ARG 42 HD3 ARG 42 1.166 8.123 -5.094 342 HE ARG 42 HE ARG 42 3.534 9.255 -4.110 343 HH11 ARG 42 1HH1 ARG 42 1.731 9.417 -7.088 344 HH12 ARG 42 2HH1 ARG 42 2.639 10.752 -7.651 345 HH21 ARG 42 1HH2 ARG 42 4.354 11.254 -4.887 346 HH22 ARG 42 2HH2 ARG 42 4.139 11.611 -6.548 347 H LEU 43 H LEU 43 1.984 4.190 -2.518 348 HA LEU 43 HA LEU 43 3.228 1.549 -2.975 349 HB2 LEU 43 HB2 LEU 43 0.410 2.399 -2.211 350 HB3 LEU 43 HB3 LEU 43 0.946 0.729 -2.332 351 HG LEU 43 HG LEU 43 2.202 2.741 -0.411 352 HD11 LEU 43 1HD1 LEU 43 -0.179 2.422 0.129 353 HD12 LEU 43 2HD1 LEU 43 0.864 1.675 1.343 354 HD13 LEU 43 3HD1 LEU 43 0.051 0.659 0.133 355 HD21 LEU 43 3HD2 LEU 43 3.058 0.727 0.709 356 HD22 LEU 43 1HD2 LEU 43 3.623 0.772 -0.961 357 HD23 LEU 43 2HD2 LEU 43 2.285 -0.307 -0.510 358 H ILE 44 H ILE 44 3.246 0.474 -4.774 359 HA ILE 44 HA ILE 44 1.183 1.021 -6.913 360 HB ILE 44 HB ILE 44 3.835 -0.405 -7.222 361 HG12 ILE 44 2HG1 ILE 44 4.386 1.830 -6.559 362 HG13 ILE 44 3HG1 ILE 44 4.784 1.575 -8.260 363 HG21 ILE 44 1HG2 ILE 44 1.901 0.710 -9.291 364 HG22 ILE 44 2HG2 ILE 44 3.525 0.101 -9.648 365 HG23 ILE 44 3HG2 ILE 44 2.306 -0.996 -9.004 366 HD11 ILE 44 3HD1 ILE 44 2.790 2.867 -8.960 367 HD12 ILE 44 1HD1 ILE 44 2.324 3.105 -7.264 368 HD13 ILE 44 2HD1 ILE 44 3.818 3.814 -7.883 369 H PHE 45 H PHE 45 -0.050 -0.664 -7.784 370 HA PHE 45 HA PHE 45 0.637 -3.417 -6.937 371 HB2 PHE 45 HB2 PHE 45 -1.071 -3.032 -5.459 372 HB3 PHE 45 HB3 PHE 45 -2.059 -2.221 -6.657 373 HD1 PHE 45 HD1 PHE 45 -0.806 -5.560 -5.577 374 HD2 PHE 45 HD2 PHE 45 -3.553 -3.420 -8.128 375 HE1 PHE 45 HE1 PHE 45 -2.028 -7.670 -6.042 376 HE2 PHE 45 HE2 PHE 45 -4.784 -5.530 -8.560 377 HZ PHE 45 HZ PHE 45 -4.028 -7.654 -7.520 378 H ALA 46 H ALA 46 1.093 -4.750 -8.478 379 HA ALA 46 HA ALA 46 1.503 -5.531 -10.553 380 HB1 ALA 46 HB1 ALA 46 -0.479 -6.310 -11.719 381 HB2 ALA 46 HB2 ALA 46 -0.693 -6.470 -9.964 382 HB3 ALA 46 HB3 ALA 46 -1.499 -5.143 -10.837 383 H GLY 47 H GLY 47 1.580 -2.477 -10.426 384 HA2 GLY 47 HA2 GLY 47 2.632 -1.110 -12.127 385 HA3 GLY 47 HA3 GLY 47 1.711 -1.954 -13.360 386 H LYS 48 H LYS 48 -0.705 -1.604 -11.287 387 HA LYS 48 HA LYS 48 -1.600 1.089 -12.219 388 HB2 LYS 48 HB2 LYS 48 -2.874 -1.301 -10.882 389 HB3 LYS 48 HB3 LYS 48 -3.531 0.272 -10.491 390 HG2 LYS 48 HG2 LYS 48 -3.173 -0.565 -13.395 391 HG3 LYS 48 HG3 LYS 48 -4.560 -1.049 -12.444 392 HD2 LYS 48 HD2 LYS 48 -4.827 1.496 -11.909 393 HD3 LYS 48 HD3 LYS 48 -3.753 1.751 -13.345 394 HE2 LYS 48 HE2 LYS 48 -6.335 0.061 -13.312 395 HE3 LYS 48 HE3 LYS 48 -6.358 1.755 -13.715 396 HZ1 LYS 48 HZ1 LYS 48 -5.233 1.519 -15.703 397 HZ2 LYS 48 HZ2 LYS 48 -6.240 0.166 -15.688 398 HZ3 LYS 48 HZ3 LYS 48 -4.662 0.016 -15.276 399 H GLN 49 H GLN 49 -1.685 2.830 -10.892 400 HA GLN 49 HA GLN 49 -0.489 2.923 -8.183 401 HB2 GLN 49 HB2 GLN 49 -2.121 5.086 -9.623 402 HB3 GLN 49 HB3 GLN 49 -0.973 5.283 -8.321 403 HG2 GLN 49 HG2 GLN 49 0.326 6.037 -10.021 404 HG3 GLN 49 HG3 GLN 49 0.777 4.340 -10.111 405 HE21 GLN 49 1HE2 GLN 49 0.902 6.392 -12.253 406 HE22 GLN 49 2HE2 GLN 49 -0.193 5.831 -13.510 407 H LEU 50 H LEU 50 -1.917 3.966 -6.450 408 HA LEU 50 HA LEU 50 -4.712 2.909 -6.447 409 HB2 LEU 50 HB2 LEU 50 -2.640 2.700 -4.234 410 HB3 LEU 50 HB3 LEU 50 -4.336 2.223 -4.098 411 HG LEU 50 HG LEU 50 -2.300 0.927 -5.974 412 HD11 LEU 50 1HD1 LEU 50 -1.817 0.484 -3.599 413 HD12 LEU 50 2HD1 LEU 50 -2.428 -0.966 -4.406 414 HD13 LEU 50 3HD1 LEU 50 -3.498 -0.039 -3.344 415 HD21 LEU 50 3HD2 LEU 50 -4.040 -0.855 -6.180 416 HD22 LEU 50 1HD2 LEU 50 -4.584 0.680 -6.842 417 HD23 LEU 50 2HD2 LEU 50 -5.169 0.153 -5.253 418 H GLU 51 H GLU 51 -5.596 4.872 -6.869 419 HA GLU 51 HA GLU 51 -5.280 7.197 -5.092 420 HB2 GLU 51 HB2 GLU 51 -5.849 7.079 -7.653 421 HB3 GLU 51 HB3 GLU 51 -7.510 6.760 -7.088 422 HG2 GLU 51 HG2 GLU 51 -7.482 8.891 -5.841 423 HG3 GLU 51 HG3 GLU 51 -5.803 9.178 -6.307 424 H ASP 52 H ASP 52 -7.129 8.011 -3.797 425 HA ASP 52 HA ASP 52 -8.238 5.925 -2.161 426 HB2 ASP 52 HB2 ASP 52 -9.175 7.852 -0.799 427 HB3 ASP 52 HB3 ASP 52 -7.460 7.555 -0.866 428 H GLY 53 H GLY 53 -10.618 6.514 -1.171 429 HA2 GLY 53 HA2 GLY 53 -12.869 6.595 -1.541 430 HA3 GLY 53 HA3 GLY 53 -12.565 7.064 -3.211 431 H ARG 54 H ARG 54 -10.964 4.371 -3.479 432 HA ARG 54 HA ARG 54 -13.339 2.568 -3.845 433 HB2 ARG 54 HB2 ARG 54 -10.520 2.198 -4.867 434 HB3 ARG 54 HB3 ARG 54 -11.926 1.231 -5.262 435 HG2 ARG 54 HG2 ARG 54 -12.955 3.324 -6.317 436 HG3 ARG 54 HG3 ARG 54 -11.350 4.075 -6.131 437 HD2 ARG 54 HD2 ARG 54 -10.406 2.023 -7.351 438 HD3 ARG 54 HD3 ARG 54 -12.076 1.572 -7.705 439 HE ARG 54 HE ARG 54 -10.986 4.248 -8.535 440 HH11 ARG 54 1HH1 ARG 54 -12.303 1.177 -9.642 441 HH12 ARG 54 2HH1 ARG 54 -12.470 1.762 -11.273 442 HH21 ARG 54 1HH2 ARG 54 -11.170 4.886 -10.513 443 HH22 ARG 54 2HH2 ARG 54 -11.781 3.850 -11.790 444 H THR 55 H THR 55 -13.111 0.261 -3.272 445 HA THR 55 HA THR 55 -11.587 -0.243 -0.800 446 HB THR 55 HB THR 55 -12.754 -2.205 -0.498 447 HG1 THR 55 HG1 THR 55 -13.983 -1.952 -3.012 448 HG21 THR 55 1HG2 THR 55 -14.800 -0.282 -1.685 449 HG22 THR 55 2HG2 THR 55 -14.174 -0.268 -0.020 450 HG23 THR 55 3HG2 THR 55 -15.118 -1.650 -0.605 451 H LEU 56 H LEU 56 -10.480 -2.348 -0.503 452 HA LEU 56 HA LEU 56 -8.389 -2.969 -2.357 453 HB2 LEU 56 HB2 LEU 56 -9.892 -4.547 -0.247 454 HB3 LEU 56 HB3 LEU 56 -8.503 -5.233 -1.087 455 HG LEU 56 HG LEU 56 -8.331 -2.667 0.563 456 HD11 LEU 56 1HD1 LEU 56 -7.287 -4.039 2.286 457 HD12 LEU 56 2HD1 LEU 56 -7.521 -5.514 1.308 458 HD13 LEU 56 3HD1 LEU 56 -8.918 -4.625 1.959 459 HD21 LEU 56 3HD2 LEU 56 -6.534 -2.815 -1.076 460 HD22 LEU 56 1HD2 LEU 56 -6.245 -4.524 -0.661 461 HD23 LEU 56 2HD2 LEU 56 -5.870 -3.250 0.506 462 H SER 57 H SER 57 -11.543 -4.636 -1.858 463 HA SER 57 HA SER 57 -11.358 -6.490 -3.981 464 HB2 SER 57 HB2 SER 57 -13.050 -6.541 -2.179 465 HB3 SER 57 HB3 SER 57 -13.853 -5.127 -2.891 466 HG SER 57 HG SER 57 -14.848 -7.007 -3.607 467 H ASP 58 H ASP 58 -12.389 -3.073 -4.107 468 HA ASP 58 HA ASP 58 -13.324 -3.088 -6.821 469 HB2 ASP 58 HB2 ASP 58 -12.274 -0.921 -5.017 470 HB3 ASP 58 HB3 ASP 58 -12.709 -0.594 -6.679 471 H TYR 59 H TYR 59 -10.051 -2.976 -5.590 472 HA TYR 59 HA TYR 59 -8.974 -2.532 -8.297 473 HB2 TYR 59 HB2 TYR 59 -7.704 -2.426 -5.592 474 HB3 TYR 59 HB3 TYR 59 -6.738 -2.561 -7.043 475 HD1 TYR 59 HD2 TYR 59 -6.758 -0.753 -8.795 476 HD2 TYR 59 HD1 TYR 59 -8.620 -0.301 -4.938 477 HE1 TYR 59 HE2 TYR 59 -6.568 1.737 -8.986 478 HE2 TYR 59 HE1 TYR 59 -8.417 2.181 -5.147 479 HH TYR 59 HH TYR 59 -7.607 3.897 -6.303 480 H ASN 60 H ASN 60 -10.292 -5.128 -7.201 481 HA ASN 60 HA ASN 60 -10.047 -7.360 -7.260 482 HB2 ASN 60 HB2 ASN 60 -8.161 -6.770 -9.572 483 HB3 ASN 60 HB3 ASN 60 -8.639 -8.387 -9.098 484 HD21 ASN 60 1HD2 ASN 60 -11.575 -7.377 -8.538 485 HD22 ASN 60 2HD2 ASN 60 -12.148 -7.263 -10.187 486 H ILE 61 H ILE 61 -8.449 -5.967 -5.285 487 HA ILE 61 HA ILE 61 -5.979 -7.546 -5.062 488 HB ILE 61 HB ILE 61 -7.135 -5.514 -3.124 489 HG12 ILE 61 2HG1 ILE 61 -4.999 -5.211 -5.287 490 HG13 ILE 61 3HG1 ILE 61 -6.618 -4.541 -5.363 491 HG21 ILE 61 1HG2 ILE 61 -4.790 -5.506 -2.221 492 HG22 ILE 61 2HG2 ILE 61 -5.566 -7.069 -2.031 493 HG23 ILE 61 3HG2 ILE 61 -4.403 -6.815 -3.354 494 HD11 ILE 61 3HD1 ILE 61 -6.138 -3.111 -3.395 495 HD12 ILE 61 1HD1 ILE 61 -4.447 -3.677 -3.428 496 HD13 ILE 61 2HD1 ILE 61 -5.109 -2.784 -4.797 497 H GLN 62 H GLN 62 -5.663 -9.315 -3.861 498 HA GLN 62 HA GLN 62 -7.910 -10.385 -2.205 499 HB2 GLN 62 HB2 GLN 62 -7.288 -12.609 -2.951 500 HB3 GLN 62 HB3 GLN 62 -7.761 -11.586 -4.286 501 HG2 GLN 62 HG2 GLN 62 -4.858 -12.224 -3.549 502 HG3 GLN 62 HG3 GLN 62 -5.809 -13.106 -4.740 503 HE21 GLN 62 1HE2 GLN 62 -6.950 -11.468 -6.410 504 HE22 GLN 62 2HE2 GLN 62 -6.004 -10.087 -6.893 505 H LYS 63 H LYS 63 -7.133 -12.262 -0.754 506 HA LYS 63 HA LYS 63 -5.203 -11.302 1.171 507 HB2 LYS 63 HB2 LYS 63 -5.699 -13.331 2.382 508 HB3 LYS 63 HB3 LYS 63 -7.171 -12.772 1.650 509 HG2 LYS 63 HG2 LYS 63 -7.419 -14.945 1.106 510 HG3 LYS 63 HG3 LYS 63 -6.513 -14.444 -0.318 511 HD2 LYS 63 HD2 LYS 63 -4.386 -15.227 0.940 512 HD3 LYS 63 HD3 LYS 63 -5.498 -15.924 2.151 513 HE2 LYS 63 HE2 LYS 63 -6.608 -17.191 0.223 514 HE3 LYS 63 HE3 LYS 63 -5.341 -16.562 -0.825 515 HZ1 LYS 63 HZ1 LYS 63 -4.983 -18.391 1.485 516 HZ2 LYS 63 HZ2 LYS 63 -3.709 -17.624 0.742 517 HZ3 LYS 63 HZ3 LYS 63 -4.619 -18.709 -0.081 518 H GLU 64 H GLU 64 -3.116 -11.903 1.560 519 HA GLU 64 HA GLU 64 -0.975 -12.361 1.046 520 HB2 GLU 64 HB2 GLU 64 -2.107 -14.789 -0.357 521 HB3 GLU 64 HB3 GLU 64 -0.384 -14.478 -0.200 522 HG2 GLU 64 HG2 GLU 64 -0.477 -14.529 2.218 523 HG3 GLU 64 HG3 GLU 64 -2.233 -14.631 2.203 524 H SER 65 H SER 65 -2.730 -10.676 -0.841 525 HA SER 65 HA SER 65 -1.485 -10.521 -3.366 526 HB2 SER 65 HB2 SER 65 -3.425 -9.221 -2.974 527 HB3 SER 65 HB3 SER 65 -2.700 -8.417 -1.561 528 HG SER 65 HG SER 65 -2.706 -7.109 -3.443 529 H THR 66 H THR 66 0.113 -9.177 -4.214 530 HA THR 66 HA THR 66 2.288 -8.433 -2.361 531 HB THR 66 HB THR 66 3.048 -9.579 -4.993 532 HG1 THR 66 HG1 THR 66 2.091 -10.987 -2.777 533 HG21 THR 66 1HG2 THR 66 4.314 -9.666 -2.228 534 HG22 THR 66 2HG2 THR 66 4.783 -8.578 -3.556 535 HG23 THR 66 3HG2 THR 66 5.000 -10.328 -3.725 536 H LEU 67 H LEU 67 1.710 -6.317 -2.271 537 HA LEU 67 HA LEU 67 1.707 -4.606 -4.631 538 HB2 LEU 67 HB2 LEU 67 1.932 -3.943 -1.659 539 HB3 LEU 67 HB3 LEU 67 1.789 -2.780 -2.964 540 HG LEU 67 HG LEU 67 -0.384 -4.298 -3.549 541 HD11 LEU 67 1HD1 LEU 67 -0.172 -5.816 -1.620 542 HD12 LEU 67 2HD1 LEU 67 -1.611 -4.809 -1.470 543 HD13 LEU 67 3HD1 LEU 67 -0.160 -4.432 -0.513 544 HD21 LEU 67 3HD2 LEU 67 -0.290 -2.083 -1.454 545 HD22 LEU 67 1HD2 LEU 67 -1.720 -2.578 -2.389 546 HD23 LEU 67 2HD2 LEU 67 -0.335 -1.851 -3.218 547 H HIS 68 H HIS 68 3.277 -3.002 -5.137 548 HA HIS 68 HA HIS 68 6.093 -3.479 -4.215 549 HB2 HIS 68 HB2 HIS 68 5.201 -2.326 -6.857 550 HB3 HIS 68 HB3 HIS 68 6.832 -2.524 -6.310 551 HD1 HIS 68 HD1 HIS 68 4.380 -5.547 -6.164 552 HD2 HIS 68 HD2 HIS 68 7.656 -4.026 -8.313 553 HE1 HIS 68 HE1 HIS 68 5.122 -7.390 -7.746 554 H LEU 69 H LEU 69 7.273 -1.942 -3.677 555 HA LEU 69 HA LEU 69 5.814 0.556 -3.157 556 HB2 LEU 69 HB2 LEU 69 7.180 -0.574 -1.456 557 HB3 LEU 69 HB3 LEU 69 8.592 -0.294 -2.452 558 HG LEU 69 HG LEU 69 8.437 2.111 -2.027 559 HD11 LEU 69 1HD1 LEU 69 6.038 1.253 -0.336 560 HD12 LEU 69 2HD1 LEU 69 6.015 2.383 -1.702 561 HD13 LEU 69 3HD1 LEU 69 6.819 2.827 -0.197 562 HD21 LEU 69 3HD2 LEU 69 9.008 2.040 0.343 563 HD22 LEU 69 1HD2 LEU 69 9.763 0.721 -0.554 564 HD23 LEU 69 2HD2 LEU 69 8.336 0.401 0.469 565 H VAL 70 H VAL 70 6.528 2.599 -3.767 566 HA VAL 70 HA VAL 70 9.250 2.658 -4.914 567 HB VAL 70 HB VAL 70 8.340 5.082 -5.942 568 HG11 VAL 70 1HG1 VAL 70 8.551 4.103 -8.050 569 HG12 VAL 70 2HG1 VAL 70 9.820 3.515 -6.959 570 HG13 VAL 70 3HG1 VAL 70 8.426 2.481 -7.350 571 HG21 VAL 70 3HG2 VAL 70 5.980 4.679 -5.478 572 HG22 VAL 70 1HG2 VAL 70 6.360 4.839 -7.195 573 HG23 VAL 70 2HG2 VAL 70 6.053 3.229 -6.513 574 H LEU 71 H LEU 71 10.168 4.783 -4.793 575 HA LEU 71 HA LEU 71 9.604 6.403 -2.488 576 HB2 LEU 71 HB2 LEU 71 11.231 6.818 -4.970 577 HB3 LEU 71 HB3 LEU 71 11.103 8.070 -3.758 578 HG LEU 71 HG LEU 71 12.093 5.298 -3.052 579 HD11 LEU 71 1HD1 LEU 71 14.354 6.260 -3.159 580 HD12 LEU 71 2HD1 LEU 71 13.688 7.776 -3.807 581 HD13 LEU 71 3HD1 LEU 71 13.576 6.272 -4.748 582 HD21 LEU 71 3HD2 LEU 71 13.074 6.490 -1.117 583 HD22 LEU 71 1HD2 LEU 71 11.316 6.647 -1.125 584 HD23 LEU 71 2HD2 LEU 71 12.325 8.002 -1.663 585 H ARG 72 H ARG 72 9.391 8.627 -2.692 586 HA ARG 72 HA ARG 72 7.560 10.102 -4.232 587 HB2 ARG 72 HB2 ARG 72 10.303 10.544 -3.033 588 HB3 ARG 72 HB3 ARG 72 9.683 11.763 -4.124 589 HG2 ARG 72 HG2 ARG 72 7.963 10.841 -1.821 590 HG3 ARG 72 HG3 ARG 72 9.283 11.978 -1.538 591 HD2 ARG 72 HD2 ARG 72 7.274 12.547 -3.729 592 HD3 ARG 72 HD3 ARG 72 6.832 12.810 -2.061 593 HE ARG 72 HE ARG 72 9.061 14.236 -3.504 594 HH11 ARG 72 1HH1 ARG 72 7.293 14.099 -0.545 595 HH12 ARG 72 2HH1 ARG 72 6.985 15.779 -0.418 596 HH21 ARG 72 1HH2 ARG 72 9.059 16.542 -3.129 597 HH22 ARG 72 2HH2 ARG 72 8.107 17.139 -1.819 598 H LEU 73 H LEU 73 7.846 11.385 -6.047 599 HA LEU 73 HA LEU 73 10.126 10.934 -7.785 600 HB2 LEU 73 HB2 LEU 73 8.272 9.322 -8.516 601 HB3 LEU 73 HB3 LEU 73 7.396 10.717 -9.094 602 HG LEU 73 HG LEU 73 8.540 9.595 -10.891 603 HD11 LEU 73 1HD1 LEU 73 10.106 12.154 -10.400 604 HD12 LEU 73 2HD1 LEU 73 8.454 12.069 -11.075 605 HD13 LEU 73 3HD1 LEU 73 9.809 11.342 -11.943 606 HD21 LEU 73 3HD2 LEU 73 10.915 9.277 -11.066 607 HD22 LEU 73 1HD2 LEU 73 10.358 8.552 -9.550 608 HD23 LEU 73 2HD2 LEU 73 11.209 10.111 -9.529 609 H ARG 74 H ARG 74 7.178 12.688 -8.816 610 HA ARG 74 HA ARG 74 8.747 15.201 -8.813 611 HB2 ARG 74 HB2 ARG 74 7.320 14.598 -10.744 612 HB3 ARG 74 HB3 ARG 74 5.886 14.631 -9.706 613 HG2 ARG 74 HG2 ARG 74 6.281 17.052 -9.257 614 HG3 ARG 74 HG3 ARG 74 7.691 17.023 -10.314 615 HD2 ARG 74 HD2 ARG 74 4.868 16.285 -11.234 616 HD3 ARG 74 HD3 ARG 74 5.510 17.932 -11.268 617 HE ARG 74 HE ARG 74 7.237 16.033 -12.646 618 HH11 ARG 74 1HH1 ARG 74 4.266 17.899 -13.323 619 HH12 ARG 74 2HH1 ARG 74 4.988 18.487 -14.812 620 HH21 ARG 74 1HH2 ARG 74 7.729 16.541 -14.797 621 HH22 ARG 74 2HH2 ARG 74 6.680 17.631 -15.652 622 H GLY 75 H GLY 75 5.841 13.992 -7.135 623 HA2 GLY 75 HA2 GLY 75 6.356 15.196 -4.629 624 HA3 GLY 75 HA3 GLY 75 5.343 16.318 -5.557 625 H GLY 76 H GLY 76 3.283 15.722 -6.151 626 HA2 GLY 76 HA2 GLY 76 1.957 13.233 -5.301 627 HA3 GLY 76 HA3 GLY 76 1.314 14.478 -6.371 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -7.520 -11.616 7.527 2 H2 MET 1 H2 MET 1 -9.154 -11.615 7.173 3 H3 MET 1 H3 MET 1 -8.236 -10.306 6.884 4 HA MET 1 HA MET 1 -7.835 -12.880 5.452 5 HB2 MET 1 HB2 MET 1 -9.980 -11.813 4.921 6 HB3 MET 1 HB3 MET 1 -9.157 -10.332 4.438 7 HG2 MET 1 HG2 MET 1 -8.227 -11.253 2.552 8 HG3 MET 1 HG3 MET 1 -8.205 -12.880 3.231 9 HE1 MET 1 HE1 MET 1 -11.721 -14.312 2.642 10 HE2 MET 1 HE2 MET 1 -10.049 -14.615 3.161 11 HE3 MET 1 HE3 MET 1 -11.122 -13.595 4.147 12 H GLN 2 H GLN 2 -5.666 -12.948 5.758 13 HA GLN 2 HA GLN 2 -4.034 -10.671 5.779 14 HB2 GLN 2 HB2 GLN 2 -3.666 -12.739 7.008 15 HB3 GLN 2 HB3 GLN 2 -3.341 -13.622 5.516 16 HG2 GLN 2 HG2 GLN 2 -1.264 -12.512 5.179 17 HG3 GLN 2 HG3 GLN 2 -1.673 -11.218 6.312 18 HE21 GLN 2 1HE2 GLN 2 0.027 -14.189 6.068 19 HE22 GLN 2 2HE2 GLN 2 0.140 -14.494 7.798 20 H ILE 3 H ILE 3 -2.642 -9.728 4.379 21 HA ILE 3 HA ILE 3 -2.296 -10.716 1.596 22 HB ILE 3 HB ILE 3 -2.828 -8.551 0.645 23 HG12 ILE 3 2HG1 ILE 3 -3.681 -7.663 3.436 24 HG13 ILE 3 3HG1 ILE 3 -2.264 -7.092 2.549 25 HG21 ILE 3 1HG2 ILE 3 -4.602 -10.323 0.932 26 HG22 ILE 3 2HG2 ILE 3 -5.211 -9.404 2.322 27 HG23 ILE 3 3HG2 ILE 3 -5.212 -8.686 0.699 28 HD11 ILE 3 3HD1 ILE 3 -5.163 -6.611 1.777 29 HD12 ILE 3 1HD1 ILE 3 -3.988 -5.431 2.377 30 HD13 ILE 3 2HD1 ILE 3 -3.761 -6.169 0.778 31 H PHE 4 H PHE 4 -0.595 -9.490 0.412 32 HA PHE 4 HA PHE 4 1.591 -8.698 2.272 33 HB2 PHE 4 HB2 PHE 4 1.723 -10.280 -0.314 34 HB3 PHE 4 HB3 PHE 4 3.087 -9.832 0.688 35 HD1 PHE 4 HD1 PHE 4 2.989 -10.651 3.228 36 HD2 PHE 4 HD2 PHE 4 0.662 -12.358 0.021 37 HE1 PHE 4 HE1 PHE 4 2.690 -12.725 4.548 38 HE2 PHE 4 HE2 PHE 4 0.375 -14.441 1.345 39 HZ PHE 4 HZ PHE 4 1.391 -14.632 3.605 40 H VAL 5 H VAL 5 3.151 -7.178 1.608 41 HA VAL 5 HA VAL 5 2.722 -5.816 -0.998 42 HB VAL 5 HB VAL 5 3.677 -4.207 1.346 43 HG11 VAL 5 1HG1 VAL 5 2.985 -2.320 -0.029 44 HG12 VAL 5 2HG1 VAL 5 4.144 -3.311 -0.897 45 HG13 VAL 5 3HG1 VAL 5 2.417 -3.419 -1.306 46 HG21 VAL 5 3HG2 VAL 5 1.464 -4.915 2.045 47 HG22 VAL 5 1HG2 VAL 5 1.416 -3.223 1.543 48 HG23 VAL 5 2HG2 VAL 5 0.787 -4.483 0.462 49 H LYS 6 H LYS 6 4.475 -5.371 -2.250 50 HA LYS 6 HA LYS 6 7.066 -6.543 -1.335 51 HB2 LYS 6 HB2 LYS 6 6.133 -7.561 -3.326 52 HB3 LYS 6 HB3 LYS 6 5.758 -6.014 -4.028 53 HG2 LYS 6 HG2 LYS 6 7.638 -6.936 -5.160 54 HG3 LYS 6 HG3 LYS 6 8.051 -5.416 -4.358 55 HD2 LYS 6 HD2 LYS 6 9.755 -7.397 -4.258 56 HD3 LYS 6 HD3 LYS 6 9.402 -6.627 -2.712 57 HE2 LYS 6 HE2 LYS 6 7.975 -8.401 -2.001 58 HE3 LYS 6 HE3 LYS 6 7.853 -9.075 -3.633 59 HZ1 LYS 6 HZ1 LYS 6 10.130 -9.809 -3.470 60 HZ2 LYS 6 HZ2 LYS 6 9.328 -10.324 -2.127 61 HZ3 LYS 6 HZ3 LYS 6 10.342 -9.059 -2.023 62 H THR 7 H THR 7 8.573 -5.139 -0.626 63 HA THR 7 HA THR 7 8.414 -2.343 -1.518 64 HB THR 7 HB THR 7 9.552 -1.600 0.251 65 HG1 THR 7 HG1 THR 7 11.010 -2.872 1.452 66 HG21 THR 7 1HG2 THR 7 7.586 -2.837 1.179 67 HG22 THR 7 2HG2 THR 7 8.939 -2.697 2.312 68 HG23 THR 7 3HG2 THR 7 8.645 -4.237 1.477 69 H LEU 8 H LEU 8 10.333 -1.107 -2.024 70 HA LEU 8 HA LEU 8 11.808 -2.110 -4.264 71 HB2 LEU 8 HB2 LEU 8 12.406 0.195 -2.361 72 HB3 LEU 8 HB3 LEU 8 13.172 -0.043 -3.926 73 HG LEU 8 HG LEU 8 10.175 0.433 -3.566 74 HD11 LEU 8 1HD1 LEU 8 11.462 2.348 -2.779 75 HD12 LEU 8 2HD1 LEU 8 10.681 2.722 -4.325 76 HD13 LEU 8 3HD1 LEU 8 12.418 2.359 -4.279 77 HD21 LEU 8 3HD2 LEU 8 11.977 0.557 -6.029 78 HD22 LEU 8 1HD2 LEU 8 10.255 0.998 -5.979 79 HD23 LEU 8 2HD2 LEU 8 10.742 -0.678 -5.705 80 H THR 9 H THR 9 12.581 -2.019 -0.794 81 HA THR 9 HA THR 9 15.234 -3.057 -1.127 82 HB THR 9 HB THR 9 13.926 -3.259 1.524 83 HG1 THR 9 HG1 THR 9 14.907 -0.772 0.788 84 HG21 THR 9 1HG2 THR 9 16.317 -3.801 1.320 85 HG22 THR 9 2HG2 THR 9 16.098 -2.330 2.275 86 HG23 THR 9 3HG2 THR 9 16.636 -2.222 0.583 87 H GLY 10 H GLY 10 13.045 -4.682 -2.293 88 HA2 GLY 10 HA2 GLY 10 12.696 -6.889 -2.758 89 HA3 GLY 10 HA3 GLY 10 14.078 -7.292 -1.735 90 H LYS 11 H LYS 11 12.527 -5.883 0.574 91 HA LYS 11 HA LYS 11 11.540 -8.170 1.860 92 HB2 LYS 11 HB2 LYS 11 10.918 -5.231 2.358 93 HB3 LYS 11 HB3 LYS 11 10.444 -6.511 3.457 94 HG2 LYS 11 HG2 LYS 11 13.325 -5.798 2.757 95 HG3 LYS 11 HG3 LYS 11 12.434 -5.319 4.200 96 HD2 LYS 11 HD2 LYS 11 12.110 -8.047 4.321 97 HD3 LYS 11 HD3 LYS 11 13.688 -7.950 3.535 98 HE2 LYS 11 HE2 LYS 11 12.858 -6.628 6.163 99 HE3 LYS 11 HE3 LYS 11 13.803 -8.106 6.032 100 HZ1 LYS 11 HZ1 LYS 11 15.627 -6.874 5.114 101 HZ2 LYS 11 HZ2 LYS 11 15.087 -5.991 6.411 102 HZ3 LYS 11 HZ3 LYS 11 14.716 -5.511 4.925 103 H THR 12 H THR 12 9.561 -8.853 2.568 104 HA THR 12 HA THR 12 7.160 -8.020 1.029 105 HB THR 12 HB THR 12 7.588 -10.767 2.180 106 HG1 THR 12 HG1 THR 12 7.937 -11.405 0.118 107 HG21 THR 12 1HG2 THR 12 5.542 -9.657 0.208 108 HG22 THR 12 2HG2 THR 12 5.223 -10.128 1.895 109 HG23 THR 12 3HG2 THR 12 5.689 -11.359 0.717 110 H ILE 13 H ILE 13 6.076 -6.668 2.264 111 HA ILE 13 HA ILE 13 5.921 -6.818 5.191 112 HB ILE 13 HB ILE 13 4.209 -5.227 3.254 113 HG12 ILE 13 2HG1 ILE 13 6.491 -4.621 2.739 114 HG13 ILE 13 3HG1 ILE 13 5.647 -3.310 3.520 115 HG21 ILE 13 1HG2 ILE 13 3.213 -5.220 5.444 116 HG22 ILE 13 2HG2 ILE 13 4.764 -4.831 6.217 117 HG23 ILE 13 3HG2 ILE 13 3.952 -3.643 5.182 118 HD11 ILE 13 3HD1 ILE 13 6.815 -3.840 5.677 119 HD12 ILE 13 1HD1 ILE 13 7.676 -5.165 4.860 120 HD13 ILE 13 2HD1 ILE 13 7.948 -3.485 4.369 121 H THR 14 H THR 14 4.139 -7.546 6.370 122 HA THR 14 HA THR 14 1.933 -8.889 4.878 123 HB THR 14 HB THR 14 2.830 -9.690 7.640 124 HG1 THR 14 HG1 THR 14 4.442 -10.177 6.160 125 HG21 THR 14 1HG2 THR 14 0.534 -10.328 7.184 126 HG22 THR 14 2HG2 THR 14 1.573 -11.753 7.075 127 HG23 THR 14 3HG2 THR 14 0.988 -10.972 5.587 128 H LEU 15 H LEU 15 -0.124 -8.338 5.259 129 HA LEU 15 HA LEU 15 -0.766 -6.512 7.532 130 HB2 LEU 15 HB2 LEU 15 -1.524 -6.221 4.603 131 HB3 LEU 15 HB3 LEU 15 -2.320 -5.327 5.891 132 HG LEU 15 HG LEU 15 0.664 -5.139 5.353 133 HD11 LEU 15 1HD1 LEU 15 0.179 -3.033 4.189 134 HD12 LEU 15 2HD1 LEU 15 -1.567 -3.291 4.412 135 HD13 LEU 15 3HD1 LEU 15 -0.627 -4.387 3.381 136 HD21 LEU 15 3HD2 LEU 15 0.488 -3.024 6.615 137 HD22 LEU 15 1HD2 LEU 15 0.007 -4.400 7.607 138 HD23 LEU 15 2HD2 LEU 15 -1.239 -3.334 6.910 139 H GLU 16 H GLU 16 -2.820 -6.620 8.297 140 HA GLU 16 HA GLU 16 -4.599 -8.807 7.325 141 HB2 GLU 16 HB2 GLU 16 -3.812 -8.070 10.128 142 HB3 GLU 16 HB3 GLU 16 -5.471 -8.571 9.848 143 HG2 GLU 16 HG2 GLU 16 -3.142 -10.260 8.883 144 HG3 GLU 16 HG3 GLU 16 -3.769 -10.365 10.528 145 H VAL 17 H VAL 17 -6.511 -8.274 6.742 146 HA VAL 17 HA VAL 17 -8.041 -5.942 7.577 147 HB VAL 17 HB VAL 17 -8.357 -5.133 5.231 148 HG11 VAL 17 1HG1 VAL 17 -6.777 -4.007 6.814 149 HG12 VAL 17 2HG1 VAL 17 -5.444 -4.843 5.995 150 HG13 VAL 17 3HG1 VAL 17 -6.465 -3.713 5.091 151 HG21 VAL 17 3HG2 VAL 17 -7.568 -7.071 3.934 152 HG22 VAL 17 1HG2 VAL 17 -6.669 -5.611 3.495 153 HG23 VAL 17 2HG2 VAL 17 -5.919 -6.830 4.537 154 H GLU 18 H GLU 18 -10.250 -6.089 6.366 155 HA GLU 18 HA GLU 18 -10.808 -8.874 5.448 156 HB2 GLU 18 HB2 GLU 18 -12.325 -6.998 7.160 157 HB3 GLU 18 HB3 GLU 18 -13.275 -7.681 5.857 158 HG2 GLU 18 HG2 GLU 18 -13.260 -8.945 8.090 159 HG3 GLU 18 HG3 GLU 18 -13.072 -9.856 6.601 160 HA PRO 19 HA PRO 19 -11.151 -7.527 1.378 161 HB2 PRO 19 HB2 PRO 19 -13.144 -9.045 0.253 162 HB3 PRO 19 HB3 PRO 19 -11.583 -9.722 0.810 163 HG2 PRO 19 HG2 PRO 19 -14.215 -9.640 2.325 164 HG3 PRO 19 HG3 PRO 19 -13.143 -11.052 2.056 165 HD2 PRO 19 HD2 PRO 19 -13.028 -9.619 4.344 166 HD3 PRO 19 HD3 PRO 19 -11.527 -10.227 3.590 167 H SER 20 H SER 20 -13.882 -6.990 3.399 168 HA SER 20 HA SER 20 -15.434 -5.318 1.589 169 HB2 SER 20 HB2 SER 20 -16.688 -4.810 3.696 170 HB3 SER 20 HB3 SER 20 -16.556 -6.538 3.340 171 HG SER 20 HG SER 20 -15.091 -5.037 5.256 172 H ASP 21 H ASP 21 -12.528 -4.758 3.493 173 HA ASP 21 HA ASP 21 -13.085 -2.043 4.101 174 HB2 ASP 21 HB2 ASP 21 -10.576 -3.627 4.195 175 HB3 ASP 21 HB3 ASP 21 -10.451 -1.884 4.106 176 H THR 22 H THR 22 -12.649 -0.138 3.303 177 HA THR 22 HA THR 22 -12.585 0.139 0.424 178 HB THR 22 HB THR 22 -12.579 2.598 1.018 179 HG1 THR 22 HG1 THR 22 -12.952 3.061 3.221 180 HG21 THR 22 1HG2 THR 22 -14.717 0.967 2.453 181 HG22 THR 22 2HG2 THR 22 -14.711 1.364 0.719 182 HG23 THR 22 3HG2 THR 22 -14.839 2.659 1.921 183 H ILE 23 H ILE 23 -10.942 1.213 -0.763 184 HA ILE 23 HA ILE 23 -8.269 0.474 -0.168 185 HB ILE 23 HB ILE 23 -9.417 2.495 -2.127 186 HG12 ILE 23 2HG1 ILE 23 -10.200 0.272 -2.637 187 HG13 ILE 23 3HG1 ILE 23 -9.046 0.784 -3.838 188 HG21 ILE 23 1HG2 ILE 23 -6.569 1.442 -1.942 189 HG22 ILE 23 2HG2 ILE 23 -7.266 2.215 -3.389 190 HG23 ILE 23 3HG2 ILE 23 -7.142 3.126 -1.899 191 HD11 ILE 23 3HD1 ILE 23 -8.522 -1.223 -1.600 192 HD12 ILE 23 1HD1 ILE 23 -8.704 -1.560 -3.327 193 HD13 ILE 23 2HD1 ILE 23 -7.295 -0.655 -2.762 194 H GLU 24 H GLU 24 -9.958 3.462 0.667 195 HA GLU 24 HA GLU 24 -7.678 4.947 1.653 196 HB2 GLU 24 HB2 GLU 24 -9.357 6.279 2.867 197 HB3 GLU 24 HB3 GLU 24 -9.763 6.057 1.165 198 HG2 GLU 24 HG2 GLU 24 -11.240 4.118 1.911 199 HG3 GLU 24 HG3 GLU 24 -11.043 4.702 3.563 200 H ASN 25 H ASN 25 -9.953 2.667 3.296 201 HA ASN 25 HA ASN 25 -8.820 2.794 5.891 202 HB2 ASN 25 HB2 ASN 25 -10.712 1.080 4.409 203 HB3 ASN 25 HB3 ASN 25 -9.754 0.201 5.560 204 HD21 ASN 25 1HD2 ASN 25 -11.511 -0.206 6.807 205 HD22 ASN 25 2HD2 ASN 25 -12.337 1.052 7.751 206 H VAL 26 H VAL 26 -7.877 0.739 3.126 207 HA VAL 26 HA VAL 26 -5.848 -0.685 4.672 208 HB VAL 26 HB VAL 26 -5.979 -0.508 1.666 209 HG11 VAL 26 1HG1 VAL 26 -3.914 -1.532 2.574 210 HG12 VAL 26 2HG1 VAL 26 -4.884 -2.638 3.566 211 HG13 VAL 26 3HG1 VAL 26 -4.919 -2.758 1.796 212 HG21 VAL 26 3HG2 VAL 26 -7.288 -2.661 1.802 213 HG22 VAL 26 1HG2 VAL 26 -7.510 -2.371 3.536 214 HG23 VAL 26 2HG2 VAL 26 -8.187 -1.257 2.336 215 H LYS 27 H LYS 27 -5.731 2.017 2.322 216 HA LYS 27 HA LYS 27 -2.871 2.364 2.446 217 HB2 LYS 27 HB2 LYS 27 -5.131 4.220 1.609 218 HB3 LYS 27 HB3 LYS 27 -3.430 4.679 1.547 219 HG2 LYS 27 HG2 LYS 27 -2.957 2.661 0.115 220 HG3 LYS 27 HG3 LYS 27 -4.680 2.347 0.033 221 HD2 LYS 27 HD2 LYS 27 -3.128 4.685 -1.118 222 HD3 LYS 27 HD3 LYS 27 -4.066 3.448 -1.976 223 HE2 LYS 27 HE2 LYS 27 -6.144 4.416 -0.840 224 HE3 LYS 27 HE3 LYS 27 -5.122 5.733 -0.251 225 HZ1 LYS 27 HZ1 LYS 27 -6.190 6.335 -2.372 226 HZ2 LYS 27 HZ2 LYS 27 -5.429 5.049 -3.138 227 HZ3 LYS 27 HZ3 LYS 27 -4.580 6.304 -2.487 228 H ALA 28 H ALA 28 -5.320 3.359 4.686 229 HA ALA 28 HA ALA 28 -3.459 5.019 6.261 230 HB1 ALA 28 HB1 ALA 28 -5.891 5.431 6.274 231 HB2 ALA 28 HB2 ALA 28 -6.184 3.808 6.934 232 HB3 ALA 28 HB3 ALA 28 -5.307 5.017 7.899 233 H LYS 29 H LYS 29 -4.832 1.687 6.725 234 HA LYS 29 HA LYS 29 -3.605 1.172 9.207 235 HB2 LYS 29 HB2 LYS 29 -4.482 -0.681 6.966 236 HB3 LYS 29 HB3 LYS 29 -3.794 -1.306 8.470 237 HG2 LYS 29 HG2 LYS 29 -5.530 -0.246 9.807 238 HG3 LYS 29 HG3 LYS 29 -6.214 0.524 8.376 239 HD2 LYS 29 HD2 LYS 29 -6.665 -1.772 7.414 240 HD3 LYS 29 HD3 LYS 29 -6.025 -2.479 8.907 241 HE2 LYS 29 HE2 LYS 29 -8.341 -2.525 9.258 242 HE3 LYS 29 HE3 LYS 29 -7.807 -1.097 10.150 243 HZ1 LYS 29 HZ1 LYS 29 -8.404 0.118 7.953 244 HZ2 LYS 29 HZ2 LYS 29 -9.657 -0.388 8.901 245 HZ3 LYS 29 HZ3 LYS 29 -9.279 -1.238 7.582 246 H ILE 30 H ILE 30 -2.054 0.947 6.086 247 HA ILE 30 HA ILE 30 0.217 -0.583 6.892 248 HB ILE 30 HB ILE 30 -0.565 -0.003 4.540 249 HG12 ILE 30 2HG1 ILE 30 2.392 0.404 5.125 250 HG13 ILE 30 3HG1 ILE 30 1.575 -1.156 5.142 251 HG21 ILE 30 1HG2 ILE 30 -0.697 2.476 4.898 252 HG22 ILE 30 2HG2 ILE 30 1.076 2.524 4.874 253 HG23 ILE 30 3HG2 ILE 30 0.175 1.993 3.444 254 HD11 ILE 30 3HD1 ILE 30 2.694 -0.929 3.020 255 HD12 ILE 30 1HD1 ILE 30 0.941 -0.862 2.741 256 HD13 ILE 30 2HD1 ILE 30 1.913 0.629 2.701 257 H GLN 31 H GLN 31 -0.501 2.828 7.575 258 HA GLN 31 HA GLN 31 2.291 3.464 8.116 259 HB2 GLN 31 HB2 GLN 31 -0.304 4.967 8.631 260 HB3 GLN 31 HB3 GLN 31 1.270 5.527 9.199 261 HG2 GLN 31 HG2 GLN 31 1.406 6.625 7.265 262 HG3 GLN 31 HG3 GLN 31 1.936 5.084 6.608 263 HE21 GLN 31 1HE2 GLN 31 0.916 4.757 4.602 264 HE22 GLN 31 2HE2 GLN 31 -0.796 5.135 4.362 265 H ASP 32 H ASP 32 -0.459 2.457 10.191 266 HA ASP 32 HA ASP 32 0.976 3.036 12.655 267 HB2 ASP 32 HB2 ASP 32 -1.566 2.988 12.119 268 HB3 ASP 32 HB3 ASP 32 -1.459 1.237 12.264 269 H LYS 33 H LYS 33 0.656 0.173 10.586 270 HA LYS 33 HA LYS 33 1.790 -1.638 12.606 271 HB2 LYS 33 HB2 LYS 33 0.112 -2.020 10.417 272 HB3 LYS 33 HB3 LYS 33 1.645 -2.634 9.807 273 HG2 LYS 33 HG2 LYS 33 1.821 -3.936 12.049 274 HG3 LYS 33 HG3 LYS 33 0.131 -3.478 12.309 275 HD2 LYS 33 HD2 LYS 33 -0.433 -4.633 10.137 276 HD3 LYS 33 HD3 LYS 33 1.242 -5.188 10.038 277 HE2 LYS 33 HE2 LYS 33 -0.838 -5.896 12.165 278 HE3 LYS 33 HE3 LYS 33 -0.179 -6.960 10.923 279 HZ1 LYS 33 HZ1 LYS 33 0.965 -7.466 12.939 280 HZ2 LYS 33 HZ2 LYS 33 1.194 -5.915 13.321 281 HZ3 LYS 33 HZ3 LYS 33 2.049 -6.579 12.088 282 H GLU 34 H GLU 34 3.075 0.149 9.908 283 HA GLU 34 HA GLU 34 5.826 -0.860 10.509 284 HB2 GLU 34 HB2 GLU 34 5.038 -2.234 8.674 285 HB3 GLU 34 HB3 GLU 34 4.442 -0.838 7.814 286 HG2 GLU 34 HG2 GLU 34 6.394 -1.599 6.738 287 HG3 GLU 34 HG3 GLU 34 6.735 -0.028 7.427 288 H GLY 35 H GLY 35 4.013 1.526 8.505 289 HA2 GLY 35 HA2 GLY 35 4.425 3.921 8.889 290 HA3 GLY 35 HA3 GLY 35 6.112 3.571 9.183 291 H ILE 36 H ILE 36 3.842 2.698 6.510 292 HA ILE 36 HA ILE 36 5.788 3.834 4.529 293 HB ILE 36 HB ILE 36 3.407 2.045 4.026 294 HG12 ILE 36 2HG1 ILE 36 4.943 0.738 5.359 295 HG13 ILE 36 3HG1 ILE 36 4.952 0.179 3.704 296 HG21 ILE 36 1HG2 ILE 36 5.737 2.760 2.216 297 HG22 ILE 36 2HG2 ILE 36 4.425 1.632 1.835 298 HG23 ILE 36 3HG2 ILE 36 4.072 3.348 2.051 299 HD11 ILE 36 3HD1 ILE 36 7.124 1.308 3.299 300 HD12 ILE 36 1HD1 ILE 36 7.110 1.927 4.968 301 HD13 ILE 36 2HD1 ILE 36 7.210 0.186 4.665 302 HA PRO 37 HA PRO 37 2.426 6.992 4.619 303 HB2 PRO 37 HB2 PRO 37 3.879 9.291 4.534 304 HB3 PRO 37 HB3 PRO 37 3.704 8.318 6.028 305 HG2 PRO 37 HG2 PRO 37 5.986 8.250 4.023 306 HG3 PRO 37 HG3 PRO 37 6.091 8.427 5.804 307 HD2 PRO 37 HD2 PRO 37 6.386 6.000 4.595 308 HD3 PRO 37 HD3 PRO 37 5.542 6.185 6.165 309 HA PRO 38 HA PRO 38 2.098 7.500 0.241 310 HB2 PRO 38 HB2 PRO 38 0.488 9.715 -0.036 311 HB3 PRO 38 HB3 PRO 38 -0.088 8.129 0.552 312 HG2 PRO 38 HG2 PRO 38 0.775 10.525 2.208 313 HG3 PRO 38 HG3 PRO 38 -0.722 9.554 2.371 314 HD2 PRO 38 HD2 PRO 38 1.419 9.068 3.941 315 HD3 PRO 38 HD3 PRO 38 0.467 7.706 3.278 316 H ASP 39 H ASP 39 3.147 10.399 2.044 317 HA ASP 39 HA ASP 39 4.165 11.868 -0.146 318 HB2 ASP 39 HB2 ASP 39 4.736 11.929 2.818 319 HB3 ASP 39 HB3 ASP 39 5.563 13.008 1.694 320 H GLN 40 H GLN 40 5.482 9.041 1.060 321 HA GLN 40 HA GLN 40 8.171 9.650 -0.135 322 HB2 GLN 40 HB2 GLN 40 7.988 9.572 2.345 323 HB3 GLN 40 HB3 GLN 40 7.473 7.899 2.246 324 HG2 GLN 40 HG2 GLN 40 10.043 8.609 0.840 325 HG3 GLN 40 HG3 GLN 40 10.055 8.769 2.588 326 HE21 GLN 40 1HE2 GLN 40 11.237 6.718 0.550 327 HE22 GLN 40 2HE2 GLN 40 10.766 5.197 1.302 328 H ASN 41 H ASN 41 5.426 7.421 -0.179 329 HA ASN 41 HA ASN 41 6.522 6.022 -2.427 330 HB2 ASN 41 HB2 ASN 41 6.337 3.722 -1.096 331 HB3 ASN 41 HB3 ASN 41 7.795 4.613 -1.337 332 HD21 ASN 41 1HD2 ASN 41 5.790 5.870 1.350 333 HD22 ASN 41 2HD2 ASN 41 7.051 5.298 2.449 334 H ARG 42 H ARG 42 4.971 4.251 -3.276 335 HA ARG 42 HA ARG 42 2.136 4.946 -2.640 336 HB2 ARG 42 HB2 ARG 42 3.227 6.565 -4.346 337 HB3 ARG 42 HB3 ARG 42 3.237 5.201 -5.467 338 HG2 ARG 42 HG2 ARG 42 0.689 5.040 -5.079 339 HG3 ARG 42 HG3 ARG 42 0.838 6.531 -4.143 340 HD2 ARG 42 HD2 ARG 42 2.067 7.362 -6.390 341 HD3 ARG 42 HD3 ARG 42 1.084 6.079 -7.114 342 HE ARG 42 HE ARG 42 -0.557 7.731 -5.411 343 HH11 ARG 42 1HH1 ARG 42 0.589 7.727 -8.712 344 HH12 ARG 42 2HH1 ARG 42 0.129 9.401 -8.976 345 HH21 ARG 42 1HH2 ARG 42 -1.590 9.669 -6.057 346 HH22 ARG 42 2HH2 ARG 42 -1.181 10.327 -7.630 347 H LEU 43 H LEU 43 0.746 3.292 -2.936 348 HA LEU 43 HA LEU 43 1.811 0.644 -3.379 349 HB2 LEU 43 HB2 LEU 43 -0.909 1.814 -2.695 350 HB3 LEU 43 HB3 LEU 43 -0.770 0.125 -3.119 351 HG LEU 43 HG LEU 43 -0.839 0.479 -0.713 352 HD11 LEU 43 1HD1 LEU 43 1.835 -0.671 -1.602 353 HD12 LEU 43 2HD1 LEU 43 0.273 -1.513 -1.672 354 HD13 LEU 43 3HD1 LEU 43 0.944 -1.032 -0.108 355 HD21 LEU 43 3HD2 LEU 43 1.012 1.378 0.553 356 HD22 LEU 43 1HD2 LEU 43 0.407 2.619 -0.552 357 HD23 LEU 43 2HD2 LEU 43 1.917 1.749 -0.922 358 H ILE 44 H ILE 44 1.900 -0.567 -5.120 359 HA ILE 44 HA ILE 44 -0.019 -0.044 -7.407 360 HB ILE 44 HB ILE 44 2.701 -1.373 -7.475 361 HG12 ILE 44 2HG1 ILE 44 3.039 0.963 -7.084 362 HG13 ILE 44 3HG1 ILE 44 3.497 0.560 -8.722 363 HG21 ILE 44 1HG2 ILE 44 1.374 -2.316 -9.256 364 HG22 ILE 44 2HG2 ILE 44 0.784 -0.710 -9.746 365 HG23 ILE 44 3HG2 ILE 44 2.484 -1.155 -9.970 366 HD11 ILE 44 3HD1 ILE 44 2.359 2.723 -8.646 367 HD12 ILE 44 1HD1 ILE 44 1.429 1.569 -9.615 368 HD13 ILE 44 2HD1 ILE 44 0.910 1.977 -7.964 369 H PHE 45 H PHE 45 -1.199 -1.743 -8.358 370 HA PHE 45 HA PHE 45 -0.700 -4.505 -7.319 371 HB2 PHE 45 HB2 PHE 45 -2.679 -3.651 -6.164 372 HB3 PHE 45 HB3 PHE 45 -3.417 -3.239 -7.704 373 HD1 PHE 45 HD1 PHE 45 -2.112 -6.110 -5.686 374 HD2 PHE 45 HD2 PHE 45 -4.737 -4.864 -8.877 375 HE1 PHE 45 HE1 PHE 45 -3.105 -8.382 -5.758 376 HE2 PHE 45 HE2 PHE 45 -5.742 -7.135 -8.925 377 HZ PHE 45 HZ PHE 45 -4.929 -8.895 -7.373 378 H ALA 46 H ALA 46 -0.185 -5.839 -8.913 379 HA ALA 46 HA ALA 46 0.264 -6.715 -10.924 380 HB1 ALA 46 HB1 ALA 46 -2.627 -5.984 -11.491 381 HB2 ALA 46 HB2 ALA 46 -1.680 -7.259 -12.277 382 HB3 ALA 46 HB3 ALA 46 -2.071 -7.390 -10.554 383 H GLY 47 H GLY 47 -0.183 -3.411 -11.006 384 HA2 GLY 47 HA2 GLY 47 1.389 -2.302 -12.771 385 HA3 GLY 47 HA3 GLY 47 0.305 -3.092 -13.920 386 H LYS 48 H LYS 48 -1.898 -2.499 -11.682 387 HA LYS 48 HA LYS 48 -2.577 0.224 -12.642 388 HB2 LYS 48 HB2 LYS 48 -4.108 -2.120 -12.249 389 HB3 LYS 48 HB3 LYS 48 -4.532 -1.108 -10.865 390 HG2 LYS 48 HG2 LYS 48 -5.081 0.763 -12.442 391 HG3 LYS 48 HG3 LYS 48 -4.633 -0.277 -13.803 392 HD2 LYS 48 HD2 LYS 48 -6.443 -1.886 -13.115 393 HD3 LYS 48 HD3 LYS 48 -6.940 -0.739 -11.866 394 HE2 LYS 48 HE2 LYS 48 -7.283 1.002 -13.669 395 HE3 LYS 48 HE3 LYS 48 -6.859 -0.239 -14.870 396 HZ1 LYS 48 HZ1 LYS 48 -9.248 -0.207 -13.117 397 HZ2 LYS 48 HZ2 LYS 48 -8.770 -1.542 -13.999 398 HZ3 LYS 48 HZ3 LYS 48 -9.202 -0.151 -14.729 399 H GLN 49 H GLN 49 -3.146 1.876 -11.205 400 HA GLN 49 HA GLN 49 -1.876 1.837 -8.505 401 HB2 GLN 49 HB2 GLN 49 -3.278 4.067 -10.064 402 HB3 GLN 49 HB3 GLN 49 -2.506 4.243 -8.485 403 HG2 GLN 49 HG2 GLN 49 -0.315 3.596 -9.490 404 HG3 GLN 49 HG3 GLN 49 -1.078 3.518 -11.081 405 HE21 GLN 49 1HE2 GLN 49 -2.315 5.664 -11.714 406 HE22 GLN 49 2HE2 GLN 49 -1.538 7.144 -11.192 407 H LEU 50 H LEU 50 -3.192 2.645 -6.665 408 HA LEU 50 HA LEU 50 -5.977 1.558 -6.716 409 HB2 LEU 50 HB2 LEU 50 -3.922 1.444 -4.490 410 HB3 LEU 50 HB3 LEU 50 -5.594 0.890 -4.391 411 HG LEU 50 HG LEU 50 -3.421 -0.294 -6.178 412 HD11 LEU 50 1HD1 LEU 50 -4.899 -1.345 -3.723 413 HD12 LEU 50 2HD1 LEU 50 -3.194 -0.825 -3.788 414 HD13 LEU 50 3HD1 LEU 50 -3.730 -2.243 -4.703 415 HD21 LEU 50 3HD2 LEU 50 -5.552 -0.552 -7.330 416 HD22 LEU 50 1HD2 LEU 50 -6.358 -1.070 -5.833 417 HD23 LEU 50 2HD2 LEU 50 -5.131 -2.094 -6.604 418 H GLU 51 H GLU 51 -7.194 3.332 -6.952 419 HA GLU 51 HA GLU 51 -6.671 5.724 -5.318 420 HB2 GLU 51 HB2 GLU 51 -7.166 5.760 -7.787 421 HB3 GLU 51 HB3 GLU 51 -8.854 5.371 -7.373 422 HG2 GLU 51 HG2 GLU 51 -8.897 7.406 -5.892 423 HG3 GLU 51 HG3 GLU 51 -7.238 7.768 -6.365 424 H ASP 52 H ASP 52 -8.122 6.616 -3.903 425 HA ASP 52 HA ASP 52 -9.479 4.767 -2.233 426 HB2 ASP 52 HB2 ASP 52 -10.084 7.063 -1.041 427 HB3 ASP 52 HB3 ASP 52 -8.585 6.185 -0.870 428 H GLY 53 H GLY 53 -11.647 5.385 -1.159 429 HA2 GLY 53 HA2 GLY 53 -13.943 5.385 -1.362 430 HA3 GLY 53 HA3 GLY 53 -13.791 6.001 -3.003 431 H ARG 54 H ARG 54 -12.051 3.492 -3.685 432 HA ARG 54 HA ARG 54 -14.256 1.580 -4.185 433 HB2 ARG 54 HB2 ARG 54 -11.350 1.756 -5.084 434 HB3 ARG 54 HB3 ARG 54 -12.311 0.299 -5.322 435 HG2 ARG 54 HG2 ARG 54 -12.593 1.388 -7.315 436 HG3 ARG 54 HG3 ARG 54 -14.080 1.717 -6.434 437 HD2 ARG 54 HD2 ARG 54 -12.248 3.879 -5.884 438 HD3 ARG 54 HD3 ARG 54 -12.104 3.533 -7.588 439 HE ARG 54 HE ARG 54 -14.167 5.005 -6.382 440 HH11 ARG 54 1HH1 ARG 54 -14.359 2.150 -8.466 441 HH12 ARG 54 2HH1 ARG 54 -15.783 2.792 -9.250 442 HH21 ARG 54 1HH2 ARG 54 -16.030 5.671 -7.511 443 HH22 ARG 54 2HH2 ARG 54 -16.667 4.553 -8.712 444 H THR 55 H THR 55 -13.604 -0.825 -3.926 445 HA THR 55 HA THR 55 -12.366 -1.279 -1.266 446 HB THR 55 HB THR 55 -13.669 -2.992 -0.663 447 HG1 THR 55 HG1 THR 55 -15.017 -4.097 -2.126 448 HG21 THR 55 1HG2 THR 55 -15.694 -1.467 -2.352 449 HG22 THR 55 2HG2 THR 55 -15.104 -0.945 -0.753 450 HG23 THR 55 3HG2 THR 55 -16.004 -2.461 -0.910 451 H LEU 56 H LEU 56 -11.361 -3.420 -0.920 452 HA LEU 56 HA LEU 56 -9.267 -4.055 -2.767 453 HB2 LEU 56 HB2 LEU 56 -10.744 -5.627 -0.629 454 HB3 LEU 56 HB3 LEU 56 -9.305 -6.259 -1.418 455 HG LEU 56 HG LEU 56 -9.284 -3.637 0.146 456 HD11 LEU 56 1HD1 LEU 56 -8.509 -6.435 1.076 457 HD12 LEU 56 2HD1 LEU 56 -9.916 -5.493 1.626 458 HD13 LEU 56 3HD1 LEU 56 -8.293 -4.918 1.982 459 HD21 LEU 56 3HD2 LEU 56 -7.418 -3.833 -1.403 460 HD22 LEU 56 1HD2 LEU 56 -7.104 -5.509 -0.884 461 HD23 LEU 56 2HD2 LEU 56 -6.810 -4.161 0.222 462 H SER 57 H SER 57 -12.404 -5.634 -2.207 463 HA SER 57 HA SER 57 -12.162 -7.746 -4.086 464 HB2 SER 57 HB2 SER 57 -13.696 -7.570 -2.128 465 HB3 SER 57 HB3 SER 57 -14.650 -6.367 -2.999 466 HG SER 57 HG SER 57 -15.371 -8.612 -3.006 467 H ASP 58 H ASP 58 -13.362 -4.417 -4.477 468 HA ASP 58 HA ASP 58 -14.501 -4.747 -7.122 469 HB2 ASP 58 HB2 ASP 58 -15.001 -2.871 -5.547 470 HB3 ASP 58 HB3 ASP 58 -13.371 -2.248 -5.796 471 H TYR 59 H TYR 59 -11.211 -4.027 -5.992 472 HA TYR 59 HA TYR 59 -10.135 -3.818 -8.687 473 HB2 TYR 59 HB2 TYR 59 -8.978 -3.516 -5.961 474 HB3 TYR 59 HB3 TYR 59 -7.906 -3.886 -7.285 475 HD1 TYR 59 HD2 TYR 59 -7.674 -2.413 -9.242 476 HD2 TYR 59 HD1 TYR 59 -9.836 -1.239 -5.704 477 HE1 TYR 59 HE2 TYR 59 -7.229 -0.013 -9.762 478 HE2 TYR 59 HE1 TYR 59 -9.392 1.173 -6.247 479 HH TYR 59 HH TYR 59 -7.251 2.067 -8.945 480 H ASN 60 H ASN 60 -11.267 -6.500 -7.337 481 HA ASN 60 HA ASN 60 -10.910 -8.700 -7.434 482 HB2 ASN 60 HB2 ASN 60 -10.812 -8.285 -9.866 483 HB3 ASN 60 HB3 ASN 60 -9.066 -8.101 -9.765 484 HD21 ASN 60 1HD2 ASN 60 -8.190 -9.810 -10.797 485 HD22 ASN 60 2HD2 ASN 60 -8.729 -11.468 -10.593 486 H ILE 61 H ILE 61 -9.209 -7.058 -5.647 487 HA ILE 61 HA ILE 61 -6.714 -8.590 -5.339 488 HB ILE 61 HB ILE 61 -7.923 -6.604 -3.390 489 HG12 ILE 61 2HG1 ILE 61 -6.049 -6.054 -5.727 490 HG13 ILE 61 3HG1 ILE 61 -7.703 -5.508 -5.576 491 HG21 ILE 61 1HG2 ILE 61 -6.115 -8.066 -2.491 492 HG22 ILE 61 2HG2 ILE 61 -5.050 -7.530 -3.811 493 HG23 ILE 61 3HG2 ILE 61 -5.608 -6.390 -2.571 494 HD11 ILE 61 3HD1 ILE 61 -5.394 -4.563 -3.857 495 HD12 ILE 61 1HD1 ILE 61 -6.239 -3.674 -5.127 496 HD13 ILE 61 2HD1 ILE 61 -7.103 -4.100 -3.646 497 H GLN 62 H GLN 62 -6.348 -10.178 -3.758 498 HA GLN 62 HA GLN 62 -8.817 -11.377 -2.552 499 HB2 GLN 62 HB2 GLN 62 -8.000 -13.547 -3.233 500 HB3 GLN 62 HB3 GLN 62 -8.271 -12.531 -4.622 501 HG2 GLN 62 HG2 GLN 62 -5.465 -12.663 -3.475 502 HG3 GLN 62 HG3 GLN 62 -6.096 -14.093 -4.271 503 HE21 GLN 62 1HE2 GLN 62 -7.433 -11.499 -6.096 504 HE22 GLN 62 2HE2 GLN 62 -6.136 -11.465 -7.244 505 H LYS 63 H LYS 63 -8.224 -13.201 -0.934 506 HA LYS 63 HA LYS 63 -6.295 -12.426 1.114 507 HB2 LYS 63 HB2 LYS 63 -6.954 -14.342 2.237 508 HB3 LYS 63 HB3 LYS 63 -8.327 -14.185 1.149 509 HG2 LYS 63 HG2 LYS 63 -7.131 -15.696 -0.518 510 HG3 LYS 63 HG3 LYS 63 -5.938 -16.007 0.754 511 HD2 LYS 63 HD2 LYS 63 -7.815 -16.939 2.169 512 HD3 LYS 63 HD3 LYS 63 -8.866 -16.765 0.733 513 HE2 LYS 63 HE2 LYS 63 -6.998 -18.021 -0.564 514 HE3 LYS 63 HE3 LYS 63 -6.302 -18.416 0.995 515 HZ1 LYS 63 HZ1 LYS 63 -7.670 -20.191 0.307 516 HZ2 LYS 63 HZ2 LYS 63 -8.958 -19.203 -0.032 517 HZ3 LYS 63 HZ3 LYS 63 -8.503 -19.474 1.529 518 H GLU 64 H GLU 64 -4.187 -13.334 1.424 519 HA GLU 64 HA GLU 64 -2.087 -13.913 0.729 520 HB2 GLU 64 HB2 GLU 64 -3.512 -15.854 -1.126 521 HB3 GLU 64 HB3 GLU 64 -1.803 -15.885 -0.763 522 HG2 GLU 64 HG2 GLU 64 -2.083 -16.623 1.422 523 HG3 GLU 64 HG3 GLU 64 -3.741 -16.079 1.533 524 H SER 65 H SER 65 -3.784 -11.811 -1.009 525 HA SER 65 HA SER 65 -2.526 -11.775 -3.541 526 HB2 SER 65 HB2 SER 65 -4.105 -9.806 -1.965 527 HB3 SER 65 HB3 SER 65 -2.957 -9.089 -3.080 528 HG SER 65 HG SER 65 -3.785 -10.454 -4.733 529 H THR 66 H THR 66 -0.893 -10.610 -4.451 530 HA THR 66 HA THR 66 1.202 -9.600 -2.594 531 HB THR 66 HB THR 66 1.905 -10.682 -5.285 532 HG1 THR 66 HG1 THR 66 0.765 -12.160 -3.753 533 HG21 THR 66 1HG2 THR 66 3.455 -10.371 -2.674 534 HG22 THR 66 2HG2 THR 66 3.621 -9.332 -4.111 535 HG23 THR 66 3HG2 THR 66 4.083 -11.043 -4.195 536 H LEU 67 H LEU 67 0.422 -7.528 -2.452 537 HA LEU 67 HA LEU 67 0.215 -5.731 -4.739 538 HB2 LEU 67 HB2 LEU 67 0.660 -5.261 -1.767 539 HB3 LEU 67 HB3 LEU 67 0.499 -3.965 -2.917 540 HG LEU 67 HG LEU 67 -1.711 -5.991 -2.993 541 HD11 LEU 67 1HD1 LEU 67 -2.866 -4.958 -1.075 542 HD12 LEU 67 2HD1 LEU 67 -1.408 -4.018 -0.685 543 HD13 LEU 67 3HD1 LEU 67 -1.391 -5.793 -0.558 544 HD21 LEU 67 3HD2 LEU 67 -1.733 -2.953 -2.859 545 HD22 LEU 67 1HD2 LEU 67 -3.033 -4.043 -3.399 546 HD23 LEU 67 2HD2 LEU 67 -1.541 -3.877 -4.352 547 H HIS 68 H HIS 68 1.705 -4.051 -5.246 548 HA HIS 68 HA HIS 68 4.572 -4.419 -4.488 549 HB2 HIS 68 HB2 HIS 68 3.490 -3.472 -7.155 550 HB3 HIS 68 HB3 HIS 68 5.158 -3.492 -6.676 551 HD1 HIS 68 HD1 HIS 68 2.847 -6.649 -6.457 552 HD2 HIS 68 HD2 HIS 68 6.306 -5.101 -8.260 553 HE1 HIS 68 HE1 HIS 68 3.863 -8.532 -7.814 554 H LEU 69 H LEU 69 5.809 -2.709 -4.669 555 HA LEU 69 HA LEU 69 4.301 -0.250 -4.014 556 HB2 LEU 69 HB2 LEU 69 5.360 -1.396 -2.079 557 HB3 LEU 69 HB3 LEU 69 6.905 -1.177 -2.880 558 HG LEU 69 HG LEU 69 6.794 1.230 -2.569 559 HD11 LEU 69 1HD1 LEU 69 4.962 2.072 -0.986 560 HD12 LEU 69 2HD1 LEU 69 4.140 0.530 -1.234 561 HD13 LEU 69 3HD1 LEU 69 4.400 1.631 -2.596 562 HD21 LEU 69 3HD2 LEU 69 7.033 1.239 -0.131 563 HD22 LEU 69 1HD2 LEU 69 7.850 -0.140 -0.867 564 HD23 LEU 69 2HD2 LEU 69 6.287 -0.372 -0.044 565 H VAL 70 H VAL 70 5.124 1.695 -4.564 566 HA VAL 70 HA VAL 70 7.908 1.632 -5.520 567 HB VAL 70 HB VAL 70 6.739 4.082 -6.566 568 HG11 VAL 70 1HG1 VAL 70 8.901 3.043 -7.155 569 HG12 VAL 70 2HG1 VAL 70 7.983 1.730 -7.912 570 HG13 VAL 70 3HG1 VAL 70 7.848 3.370 -8.542 571 HG21 VAL 70 3HG2 VAL 70 5.369 1.687 -7.713 572 HG22 VAL 70 1HG2 VAL 70 4.625 3.033 -6.806 573 HG23 VAL 70 2HG2 VAL 70 5.396 3.347 -8.356 574 H LEU 71 H LEU 71 8.920 3.753 -5.492 575 HA LEU 71 HA LEU 71 8.510 5.468 -3.257 576 HB2 LEU 71 HB2 LEU 71 10.178 5.308 -5.569 577 HB3 LEU 71 HB3 LEU 71 9.494 6.874 -5.612 578 HG LEU 71 HG LEU 71 11.789 6.401 -4.557 579 HD11 LEU 71 1HD1 LEU 71 11.662 8.266 -3.017 580 HD12 LEU 71 2HD1 LEU 71 9.897 8.212 -3.040 581 HD13 LEU 71 3HD1 LEU 71 10.806 8.597 -4.519 582 HD21 LEU 71 3HD2 LEU 71 11.992 5.979 -2.231 583 HD22 LEU 71 1HD2 LEU 71 11.095 4.639 -2.952 584 HD23 LEU 71 2HD2 LEU 71 10.242 5.874 -2.006 585 H ARG 72 H ARG 72 8.188 7.770 -3.554 586 HA ARG 72 HA ARG 72 6.116 8.466 -5.579 587 HB2 ARG 72 HB2 ARG 72 5.321 8.896 -3.287 588 HB3 ARG 72 HB3 ARG 72 6.742 9.903 -2.968 589 HG2 ARG 72 HG2 ARG 72 6.033 11.463 -4.788 590 HG3 ARG 72 HG3 ARG 72 4.627 10.429 -5.100 591 HD2 ARG 72 HD2 ARG 72 3.902 10.859 -2.724 592 HD3 ARG 72 HD3 ARG 72 5.228 12.032 -2.580 593 HE ARG 72 HE ARG 72 3.830 12.747 -4.888 594 HH11 ARG 72 1HH1 ARG 72 3.011 12.686 -1.443 595 HH12 ARG 72 2HH1 ARG 72 1.776 13.841 -1.677 596 HH21 ARG 72 1HH2 ARG 72 1.972 14.005 -5.069 597 HH22 ARG 72 2HH2 ARG 72 0.963 14.202 -3.672 598 H LEU 73 H LEU 73 6.825 9.612 -7.260 599 HA LEU 73 HA LEU 73 9.455 10.978 -7.181 600 HB2 LEU 73 HB2 LEU 73 7.471 10.468 -9.432 601 HB3 LEU 73 HB3 LEU 73 8.972 11.363 -9.632 602 HG LEU 73 HG LEU 73 8.831 8.446 -8.749 603 HD11 LEU 73 1HD1 LEU 73 8.055 8.758 -11.077 604 HD12 LEU 73 2HD1 LEU 73 9.623 7.943 -11.026 605 HD13 LEU 73 3HD1 LEU 73 9.536 9.664 -11.455 606 HD21 LEU 73 3HD2 LEU 73 10.908 9.530 -7.974 607 HD22 LEU 73 1HD2 LEU 73 11.185 10.199 -9.599 608 HD23 LEU 73 2HD2 LEU 73 11.258 8.448 -9.323 609 H ARG 74 H ARG 74 9.759 13.121 -7.789 610 HA ARG 74 HA ARG 74 7.565 15.045 -8.046 611 HB2 ARG 74 HB2 ARG 74 9.160 14.701 -5.537 612 HB3 ARG 74 HB3 ARG 74 9.173 16.331 -6.151 613 HG2 ARG 74 HG2 ARG 74 6.622 14.786 -5.539 614 HG3 ARG 74 HG3 ARG 74 7.442 15.914 -4.456 615 HD2 ARG 74 HD2 ARG 74 7.239 17.538 -6.599 616 HD3 ARG 74 HD3 ARG 74 5.859 16.485 -6.949 617 HE ARG 74 HE ARG 74 5.790 17.331 -4.198 618 HH11 ARG 74 1HH1 ARG 74 5.371 18.851 -7.363 619 HH12 ARG 74 2HH1 ARG 74 4.488 20.180 -6.630 620 HH21 ARG 74 1HH2 ARG 74 4.762 19.084 -3.436 621 HH22 ARG 74 2HH2 ARG 74 3.966 20.201 -4.526 622 H GLY 75 H GLY 75 8.189 16.548 -9.532 623 HA2 GLY 75 HA2 GLY 75 9.589 17.910 -10.832 624 HA3 GLY 75 HA3 GLY 75 10.982 17.379 -9.900 625 H GLY 76 H GLY 76 12.154 17.133 -11.870 626 HA2 GLY 76 HA2 GLY 76 12.137 14.551 -13.104 627 HA3 GLY 76 HA3 GLY 76 11.469 15.742 -14.215 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -6.547 -11.935 7.457 2 H2 MET 1 H2 MET 1 -5.256 -12.774 6.795 3 H3 MET 1 H3 MET 1 -6.751 -13.410 6.707 4 HA MET 1 HA MET 1 -6.137 -12.584 4.575 5 HB2 MET 1 HB2 MET 1 -8.053 -11.112 4.153 6 HB3 MET 1 HB3 MET 1 -8.501 -12.537 5.068 7 HG2 MET 1 HG2 MET 1 -8.081 -9.761 6.269 8 HG3 MET 1 HG3 MET 1 -9.633 -10.435 5.751 9 HE1 MET 1 HE1 MET 1 -10.295 -10.405 9.492 10 HE2 MET 1 HE2 MET 1 -9.440 -9.168 8.522 11 HE3 MET 1 HE3 MET 1 -10.870 -9.999 7.851 12 H GLN 2 H GLN 2 -3.913 -11.721 5.473 13 HA GLN 2 HA GLN 2 -3.635 -8.829 5.513 14 HB2 GLN 2 HB2 GLN 2 -1.199 -9.404 5.500 15 HB3 GLN 2 HB3 GLN 2 -2.099 -10.076 6.852 16 HG2 GLN 2 HG2 GLN 2 -1.684 -11.796 4.389 17 HG3 GLN 2 HG3 GLN 2 -0.329 -11.497 5.448 18 HE21 GLN 2 1HE2 GLN 2 -0.101 -12.712 7.277 19 HE22 GLN 2 2HE2 GLN 2 -1.340 -13.809 7.874 20 H ILE 3 H ILE 3 -2.099 -7.762 4.015 21 HA ILE 3 HA ILE 3 -2.003 -8.820 1.235 22 HB ILE 3 HB ILE 3 -2.348 -6.576 0.346 23 HG12 ILE 3 2HG1 ILE 3 -3.095 -5.709 3.173 24 HG13 ILE 3 3HG1 ILE 3 -1.602 -5.280 2.341 25 HG21 ILE 3 1HG2 ILE 3 -4.756 -6.496 0.555 26 HG22 ILE 3 2HG2 ILE 3 -4.244 -8.185 0.573 27 HG23 ILE 3 3HG2 ILE 3 -4.708 -7.386 2.090 28 HD11 ILE 3 3HD1 ILE 3 -2.919 -4.110 0.581 29 HD12 ILE 3 1HD1 ILE 3 -4.399 -4.421 1.529 30 HD13 ILE 3 2HD1 ILE 3 -3.099 -3.425 2.207 31 H PHE 4 H PHE 4 -0.203 -7.935 -0.037 32 HA PHE 4 HA PHE 4 2.109 -7.213 1.710 33 HB2 PHE 4 HB2 PHE 4 2.067 -8.845 -0.832 34 HB3 PHE 4 HB3 PHE 4 3.500 -8.419 0.090 35 HD1 PHE 4 HD1 PHE 4 3.379 -9.134 2.714 36 HD2 PHE 4 HD2 PHE 4 1.070 -10.930 -0.458 37 HE1 PHE 4 HE1 PHE 4 2.995 -11.139 4.121 38 HE2 PHE 4 HE2 PHE 4 0.692 -12.930 0.959 39 HZ PHE 4 HZ PHE 4 1.595 -13.017 3.273 40 H VAL 5 H VAL 5 3.438 -5.489 1.190 41 HA VAL 5 HA VAL 5 2.981 -4.177 -1.460 42 HB VAL 5 HB VAL 5 3.945 -2.693 0.978 43 HG11 VAL 5 1HG1 VAL 5 2.986 -1.792 -1.770 44 HG12 VAL 5 2HG1 VAL 5 3.339 -0.713 -0.404 45 HG13 VAL 5 3HG1 VAL 5 4.637 -1.662 -1.122 46 HG21 VAL 5 3HG2 VAL 5 1.691 -1.649 1.026 47 HG22 VAL 5 1HG2 VAL 5 1.138 -2.821 -0.194 48 HG23 VAL 5 2HG2 VAL 5 1.638 -3.368 1.422 49 H LYS 6 H LYS 6 4.589 -3.821 -2.806 50 HA LYS 6 HA LYS 6 7.304 -4.877 -2.127 51 HB2 LYS 6 HB2 LYS 6 6.350 -5.995 -4.026 52 HB3 LYS 6 HB3 LYS 6 5.710 -4.510 -4.680 53 HG2 LYS 6 HG2 LYS 6 7.526 -5.225 -6.038 54 HG3 LYS 6 HG3 LYS 6 7.913 -3.670 -5.272 55 HD2 LYS 6 HD2 LYS 6 9.368 -4.872 -3.633 56 HD3 LYS 6 HD3 LYS 6 8.797 -6.430 -4.228 57 HE2 LYS 6 HE2 LYS 6 9.763 -5.881 -6.479 58 HE3 LYS 6 HE3 LYS 6 10.450 -4.394 -5.784 59 HZ1 LYS 6 HZ1 LYS 6 11.041 -7.120 -4.766 60 HZ2 LYS 6 HZ2 LYS 6 11.807 -5.714 -4.320 61 HZ3 LYS 6 HZ3 LYS 6 11.977 -6.390 -5.831 62 H THR 7 H THR 7 8.616 -3.301 -1.462 63 HA THR 7 HA THR 7 8.283 -0.541 -2.381 64 HB THR 7 HB THR 7 9.908 0.115 -0.869 65 HG1 THR 7 HG1 THR 7 11.453 -1.423 -0.042 66 HG21 THR 7 1HG2 THR 7 9.541 -0.934 1.268 67 HG22 THR 7 2HG2 THR 7 8.994 -2.445 0.517 68 HG23 THR 7 3HG2 THR 7 8.000 -0.974 0.392 69 H LEU 8 H LEU 8 10.601 0.536 -2.945 70 HA LEU 8 HA LEU 8 11.391 -0.497 -5.539 71 HB2 LEU 8 HB2 LEU 8 12.657 1.724 -3.882 72 HB3 LEU 8 HB3 LEU 8 12.894 1.398 -5.589 73 HG LEU 8 HG LEU 8 10.129 1.684 -5.494 74 HD11 LEU 8 1HD1 LEU 8 11.316 3.775 -3.608 75 HD12 LEU 8 2HD1 LEU 8 10.228 2.466 -3.108 76 HD13 LEU 8 3HD1 LEU 8 9.646 3.717 -4.212 77 HD21 LEU 8 3HD2 LEU 8 10.492 3.902 -6.482 78 HD22 LEU 8 1HD2 LEU 8 11.614 2.712 -7.146 79 HD23 LEU 8 2HD2 LEU 8 12.188 3.885 -5.938 80 H THR 9 H THR 9 12.052 -1.891 -2.707 81 HA THR 9 HA THR 9 14.819 -2.670 -3.372 82 HB THR 9 HB THR 9 15.673 -2.356 -1.279 83 HG1 THR 9 HG1 THR 9 14.486 -2.987 0.280 84 HG21 THR 9 1HG2 THR 9 15.260 -0.103 -0.540 85 HG22 THR 9 2HG2 THR 9 13.692 -0.045 -1.369 86 HG23 THR 9 3HG2 THR 9 15.203 -0.125 -2.310 87 H GLY 10 H GLY 10 15.581 -4.506 -1.776 88 HA2 GLY 10 HA2 GLY 10 13.853 -6.837 -2.089 89 HA3 GLY 10 HA3 GLY 10 15.450 -6.776 -1.341 90 H LYS 11 H LYS 11 12.152 -5.469 -0.695 91 HA LYS 11 HA LYS 11 12.089 -6.846 1.915 92 HB2 LYS 11 HB2 LYS 11 11.579 -3.852 1.654 93 HB3 LYS 11 HB3 LYS 11 11.025 -4.844 2.998 94 HG2 LYS 11 HG2 LYS 11 13.490 -5.506 3.364 95 HG3 LYS 11 HG3 LYS 11 13.886 -4.161 2.272 96 HD2 LYS 11 HD2 LYS 11 12.543 -2.637 3.790 97 HD3 LYS 11 HD3 LYS 11 12.289 -4.009 4.875 98 HE2 LYS 11 HE2 LYS 11 14.836 -4.208 5.041 99 HE3 LYS 11 HE3 LYS 11 14.931 -2.664 4.171 100 HZ1 LYS 11 HZ1 LYS 11 13.669 -3.157 6.806 101 HZ2 LYS 11 HZ2 LYS 11 13.528 -1.718 5.984 102 HZ3 LYS 11 HZ3 LYS 11 14.983 -2.235 6.543 103 H THR 12 H THR 12 10.069 -7.260 2.711 104 HA THR 12 HA THR 12 7.765 -6.898 0.867 105 HB THR 12 HB THR 12 8.146 -9.424 2.457 106 HG1 THR 12 HG1 THR 12 8.842 -10.338 0.545 107 HG21 THR 12 1HG2 THR 12 6.433 -8.739 0.025 108 HG22 THR 12 2HG2 THR 12 5.840 -8.945 1.692 109 HG23 THR 12 3HG2 THR 12 6.532 -10.325 0.825 110 H ILE 13 H ILE 13 6.567 -5.378 1.835 111 HA ILE 13 HA ILE 13 6.336 -5.310 4.780 112 HB ILE 13 HB ILE 13 4.771 -3.631 2.827 113 HG12 ILE 13 2HG1 ILE 13 7.061 -3.307 2.110 114 HG13 ILE 13 3HG1 ILE 13 6.434 -1.882 2.899 115 HG21 ILE 13 1HG2 ILE 13 3.984 -3.497 5.114 116 HG22 ILE 13 2HG2 ILE 13 5.623 -3.178 5.713 117 HG23 ILE 13 3HG2 ILE 13 4.793 -1.984 4.699 118 HD11 ILE 13 3HD1 ILE 13 8.781 -2.331 3.544 119 HD12 ILE 13 1HD1 ILE 13 7.727 -2.428 4.962 120 HD13 ILE 13 2HD1 ILE 13 8.323 -3.915 4.192 121 H THR 14 H THR 14 4.636 -6.106 5.917 122 HA THR 14 HA THR 14 2.319 -7.245 4.425 123 HB THR 14 HB THR 14 3.193 -8.255 7.127 124 HG1 THR 14 HG1 THR 14 4.811 -8.712 5.664 125 HG21 THR 14 1HG2 THR 14 1.313 -9.309 4.982 126 HG22 THR 14 2HG2 THR 14 0.893 -8.787 6.632 127 HG23 THR 14 3HG2 THR 14 1.871 -10.240 6.393 128 H LEU 15 H LEU 15 0.291 -6.645 4.896 129 HA LEU 15 HA LEU 15 -0.155 -4.914 7.296 130 HB2 LEU 15 HB2 LEU 15 -1.178 -4.417 4.489 131 HB3 LEU 15 HB3 LEU 15 -1.668 -3.500 5.903 132 HG LEU 15 HG LEU 15 1.216 -3.673 4.965 133 HD11 LEU 15 1HD1 LEU 15 -0.794 -1.470 4.357 134 HD12 LEU 15 2HD1 LEU 15 -0.243 -2.701 3.199 135 HD13 LEU 15 3HD1 LEU 15 0.915 -1.549 3.859 136 HD21 LEU 15 3HD2 LEU 15 0.966 -2.944 7.292 137 HD22 LEU 15 1HD2 LEU 15 -0.194 -1.684 6.798 138 HD23 LEU 15 2HD2 LEU 15 1.509 -1.613 6.279 139 H GLU 16 H GLU 16 -2.098 -5.054 8.245 140 HA GLU 16 HA GLU 16 -3.817 -7.341 7.473 141 HB2 GLU 16 HB2 GLU 16 -4.250 -7.707 9.891 142 HB3 GLU 16 HB3 GLU 16 -2.645 -8.085 9.269 143 HG2 GLU 16 HG2 GLU 16 -2.156 -5.559 10.215 144 HG3 GLU 16 HG3 GLU 16 -3.459 -6.038 11.288 145 H VAL 17 H VAL 17 -5.886 -7.055 7.128 146 HA VAL 17 HA VAL 17 -7.261 -4.499 7.652 147 HB VAL 17 HB VAL 17 -7.613 -4.131 5.229 148 HG11 VAL 17 1HG1 VAL 17 -5.773 -2.930 6.411 149 HG12 VAL 17 2HG1 VAL 17 -4.630 -4.160 5.827 150 HG13 VAL 17 3HG1 VAL 17 -5.503 -3.140 4.672 151 HG21 VAL 17 3HG2 VAL 17 -5.496 -6.283 4.768 152 HG22 VAL 17 1HG2 VAL 17 -7.221 -6.394 4.346 153 HG23 VAL 17 2HG2 VAL 17 -6.196 -5.208 3.543 154 H GLU 18 H GLU 18 -9.470 -4.553 6.614 155 HA GLU 18 HA GLU 18 -10.675 -7.301 6.750 156 HB2 GLU 18 HB2 GLU 18 -11.522 -4.673 7.633 157 HB3 GLU 18 HB3 GLU 18 -12.615 -5.172 6.418 158 HG2 GLU 18 HG2 GLU 18 -11.883 -7.036 8.700 159 HG3 GLU 18 HG3 GLU 18 -13.073 -5.754 8.914 160 HA PRO 19 HA PRO 19 -11.144 -7.044 2.173 161 HB2 PRO 19 HB2 PRO 19 -13.358 -8.661 1.817 162 HB3 PRO 19 HB3 PRO 19 -11.706 -9.282 2.104 163 HG2 PRO 19 HG2 PRO 19 -13.881 -8.829 4.166 164 HG3 PRO 19 HG3 PRO 19 -12.913 -10.327 3.899 165 HD2 PRO 19 HD2 PRO 19 -12.161 -8.613 5.822 166 HD3 PRO 19 HD3 PRO 19 -10.938 -9.250 4.697 167 H SER 20 H SER 20 -13.651 -6.223 4.535 168 HA SER 20 HA SER 20 -15.238 -4.692 2.606 169 HB2 SER 20 HB2 SER 20 -16.272 -5.630 4.652 170 HB3 SER 20 HB3 SER 20 -15.150 -4.713 5.670 171 HG SER 20 HG SER 20 -16.120 -2.883 4.244 172 H ASP 21 H ASP 21 -12.137 -4.013 3.927 173 HA ASP 21 HA ASP 21 -12.513 -1.283 4.568 174 HB2 ASP 21 HB2 ASP 21 -10.026 -2.846 3.900 175 HB3 ASP 21 HB3 ASP 21 -10.013 -1.112 4.154 176 H THR 22 H THR 22 -12.635 0.522 3.595 177 HA THR 22 HA THR 22 -12.652 0.765 0.735 178 HB THR 22 HB THR 22 -13.009 3.027 0.923 179 HG1 THR 22 HG1 THR 22 -12.643 4.131 2.912 180 HG21 THR 22 1HG2 THR 22 -14.194 1.997 3.540 181 HG22 THR 22 2HG2 THR 22 -14.888 1.694 1.934 182 HG23 THR 22 3HG2 THR 22 -14.767 3.351 2.549 183 H ILE 23 H ILE 23 -11.191 1.766 -0.656 184 HA ILE 23 HA ILE 23 -8.423 1.188 -0.259 185 HB ILE 23 HB ILE 23 -9.921 2.974 -2.199 186 HG12 ILE 23 2HG1 ILE 23 -10.557 0.763 -2.646 187 HG13 ILE 23 3HG1 ILE 23 -9.387 1.190 -3.849 188 HG21 ILE 23 1HG2 ILE 23 -6.984 2.203 -2.265 189 HG22 ILE 23 2HG2 ILE 23 -7.873 2.852 -3.663 190 HG23 ILE 23 3HG2 ILE 23 -7.701 3.843 -2.221 191 HD11 ILE 23 3HD1 ILE 23 -7.620 -0.084 -2.594 192 HD12 ILE 23 1HD1 ILE 23 -8.893 -0.634 -1.472 193 HD13 ILE 23 2HD1 ILE 23 -8.967 -1.070 -3.186 194 H GLU 24 H GLU 24 -10.286 3.936 0.780 195 HA GLU 24 HA GLU 24 -8.061 5.718 1.451 196 HB2 GLU 24 HB2 GLU 24 -10.364 6.545 1.122 197 HB3 GLU 24 HB3 GLU 24 -10.914 5.487 2.398 198 HG2 GLU 24 HG2 GLU 24 -9.132 6.890 3.852 199 HG3 GLU 24 HG3 GLU 24 -9.391 8.075 2.583 200 H ASN 25 H ASN 25 -10.083 3.372 3.345 201 HA ASN 25 HA ASN 25 -8.814 3.670 5.849 202 HB2 ASN 25 HB2 ASN 25 -10.758 1.913 4.618 203 HB3 ASN 25 HB3 ASN 25 -9.559 0.889 5.379 204 HD21 ASN 25 1HD2 ASN 25 -11.912 3.484 5.970 205 HD22 ASN 25 2HD2 ASN 25 -11.958 3.183 7.713 206 H VAL 26 H VAL 26 -7.964 1.463 3.171 207 HA VAL 26 HA VAL 26 -5.679 0.312 4.509 208 HB VAL 26 HB VAL 26 -6.250 0.485 1.545 209 HG11 VAL 26 1HG1 VAL 26 -4.513 -1.447 3.154 210 HG12 VAL 26 2HG1 VAL 26 -4.904 -1.619 1.429 211 HG13 VAL 26 3HG1 VAL 26 -3.934 -0.248 1.978 212 HG21 VAL 26 3HG2 VAL 26 -7.227 -1.813 1.877 213 HG22 VAL 26 1HG2 VAL 26 -7.073 -1.602 3.628 214 HG23 VAL 26 2HG2 VAL 26 -8.158 -0.572 2.680 215 H LYS 27 H LYS 27 -5.944 3.133 2.277 216 HA LYS 27 HA LYS 27 -3.082 3.662 2.299 217 HB2 LYS 27 HB2 LYS 27 -5.514 5.026 1.253 218 HB3 LYS 27 HB3 LYS 27 -4.422 6.149 2.015 219 HG2 LYS 27 HG2 LYS 27 -3.585 6.223 -0.108 220 HG3 LYS 27 HG3 LYS 27 -2.525 5.032 0.627 221 HD2 LYS 27 HD2 LYS 27 -3.120 4.155 -1.521 222 HD3 LYS 27 HD3 LYS 27 -4.044 3.225 -0.336 223 HE2 LYS 27 HE2 LYS 27 -5.558 3.746 -2.093 224 HE3 LYS 27 HE3 LYS 27 -5.998 4.770 -0.728 225 HZ1 LYS 27 HZ1 LYS 27 -6.043 6.200 -2.517 226 HZ2 LYS 27 HZ2 LYS 27 -4.792 5.527 -3.290 227 HZ3 LYS 27 HZ3 LYS 27 -4.570 6.533 -1.957 228 H ALA 28 H ALA 28 -5.589 4.304 4.650 229 HA ALA 28 HA ALA 28 -3.901 6.184 6.155 230 HB1 ALA 28 HB1 ALA 28 -6.474 4.738 6.949 231 HB2 ALA 28 HB2 ALA 28 -5.710 6.092 7.804 232 HB3 ALA 28 HB3 ALA 28 -6.370 6.332 6.174 233 H LYS 29 H LYS 29 -4.997 2.793 6.723 234 HA LYS 29 HA LYS 29 -3.628 2.337 9.126 235 HB2 LYS 29 HB2 LYS 29 -4.454 0.429 6.907 236 HB3 LYS 29 HB3 LYS 29 -3.760 -0.137 8.434 237 HG2 LYS 29 HG2 LYS 29 -5.558 0.845 9.717 238 HG3 LYS 29 HG3 LYS 29 -6.214 1.666 8.302 239 HD2 LYS 29 HD2 LYS 29 -6.734 -0.573 7.301 240 HD3 LYS 29 HD3 LYS 29 -6.165 -1.370 8.792 241 HE2 LYS 29 HE2 LYS 29 -7.875 -0.050 10.063 242 HE3 LYS 29 HE3 LYS 29 -8.370 0.764 8.593 243 HZ1 LYS 29 HZ1 LYS 29 -9.005 -1.540 7.738 244 HZ2 LYS 29 HZ2 LYS 29 -9.920 -0.945 8.906 245 HZ3 LYS 29 HZ3 LYS 29 -8.806 -2.093 9.272 246 H ILE 30 H ILE 30 -2.156 2.232 5.921 247 HA ILE 30 HA ILE 30 0.248 0.902 6.719 248 HB ILE 30 HB ILE 30 -0.596 1.355 4.356 249 HG12 ILE 30 2HG1 ILE 30 2.326 1.963 4.935 250 HG13 ILE 30 3HG1 ILE 30 1.612 0.364 4.969 251 HG21 ILE 30 1HG2 ILE 30 -0.043 3.344 3.192 252 HG22 ILE 30 2HG2 ILE 30 -0.878 3.831 4.667 253 HG23 ILE 30 3HG2 ILE 30 0.887 3.978 4.564 254 HD11 ILE 30 3HD1 ILE 30 2.724 0.640 2.846 255 HD12 ILE 30 1HD1 ILE 30 0.974 0.591 2.554 256 HD13 ILE 30 2HD1 ILE 30 1.847 2.140 2.506 257 H GLN 31 H GLN 31 -0.685 4.336 7.124 258 HA GLN 31 HA GLN 31 2.047 5.211 7.651 259 HB2 GLN 31 HB2 GLN 31 -0.682 6.504 8.056 260 HB3 GLN 31 HB3 GLN 31 0.788 7.205 8.697 261 HG2 GLN 31 HG2 GLN 31 0.962 8.294 6.759 262 HG3 GLN 31 HG3 GLN 31 1.621 6.795 6.132 263 HE21 GLN 31 1HE2 GLN 31 0.613 6.153 4.191 264 HE22 GLN 31 2HE2 GLN 31 -1.116 6.434 3.930 265 H ASP 32 H ASP 32 -0.461 3.784 9.616 266 HA ASP 32 HA ASP 32 0.792 4.500 12.183 267 HB2 ASP 32 HB2 ASP 32 -1.665 4.246 11.889 268 HB3 ASP 32 HB3 ASP 32 -1.435 2.549 11.457 269 H LYS 33 H LYS 33 0.461 1.607 10.113 270 HA LYS 33 HA LYS 33 1.971 -0.136 11.801 271 HB2 LYS 33 HB2 LYS 33 0.735 -0.194 9.107 272 HB3 LYS 33 HB3 LYS 33 2.197 -1.119 9.157 273 HG2 LYS 33 HG2 LYS 33 -0.195 -1.467 11.011 274 HG3 LYS 33 HG3 LYS 33 0.233 -2.485 9.624 275 HD2 LYS 33 HD2 LYS 33 2.431 -3.032 10.843 276 HD3 LYS 33 HD3 LYS 33 1.728 -2.248 12.271 277 HE2 LYS 33 HE2 LYS 33 -0.322 -3.754 11.935 278 HE3 LYS 33 HE3 LYS 33 0.615 -4.625 10.721 279 HZ1 LYS 33 HZ1 LYS 33 2.199 -5.223 12.476 280 HZ2 LYS 33 HZ2 LYS 33 0.650 -5.712 12.777 281 HZ3 LYS 33 HZ3 LYS 33 1.288 -4.432 13.602 282 H GLU 34 H GLU 34 3.082 1.551 8.849 283 HA GLU 34 HA GLU 34 5.915 1.008 9.648 284 HB2 GLU 34 HB2 GLU 34 4.760 -0.734 8.089 285 HB3 GLU 34 HB3 GLU 34 4.790 0.532 6.885 286 HG2 GLU 34 HG2 GLU 34 6.646 -0.644 6.351 287 HG3 GLU 34 HG3 GLU 34 7.377 0.616 7.313 288 H GLY 35 H GLY 35 3.955 3.485 9.227 289 HA2 GLY 35 HA2 GLY 35 4.314 5.721 8.796 290 HA3 GLY 35 HA3 GLY 35 6.023 5.315 8.938 291 H ILE 36 H ILE 36 3.857 4.195 6.300 292 HA ILE 36 HA ILE 36 5.578 5.556 4.307 293 HB ILE 36 HB ILE 36 3.334 3.581 3.887 294 HG12 ILE 36 2HG1 ILE 36 4.902 2.442 5.326 295 HG13 ILE 36 3HG1 ILE 36 4.964 1.782 3.711 296 HG21 ILE 36 1HG2 ILE 36 5.634 4.383 2.079 297 HG22 ILE 36 2HG2 ILE 36 4.470 3.083 1.756 298 HG23 ILE 36 3HG2 ILE 36 3.906 4.746 1.857 299 HD11 ILE 36 3HD1 ILE 36 7.202 1.975 4.713 300 HD12 ILE 36 1HD1 ILE 36 7.080 2.978 3.258 301 HD13 ILE 36 2HD1 ILE 36 7.006 3.728 4.872 302 HA PRO 37 HA PRO 37 1.957 8.443 4.094 303 HB2 PRO 37 HB2 PRO 37 3.215 10.833 3.814 304 HB3 PRO 37 HB3 PRO 37 3.142 9.981 5.387 305 HG2 PRO 37 HG2 PRO 37 5.401 9.902 3.341 306 HG3 PRO 37 HG3 PRO 37 5.514 10.280 5.092 307 HD2 PRO 37 HD2 PRO 37 5.990 7.767 4.185 308 HD3 PRO 37 HD3 PRO 37 5.091 8.075 5.709 309 HA PRO 38 HA PRO 38 1.699 8.596 -0.327 310 HB2 PRO 38 HB2 PRO 38 -0.215 10.507 -0.781 311 HB3 PRO 38 HB3 PRO 38 -0.574 8.922 -0.029 312 HG2 PRO 38 HG2 PRO 38 -0.032 11.566 1.376 313 HG3 PRO 38 HG3 PRO 38 -1.406 10.441 1.635 314 HD2 PRO 38 HD2 PRO 38 0.773 10.370 3.235 315 HD3 PRO 38 HD3 PRO 38 -0.019 8.855 2.720 316 H ASP 39 H ASP 39 2.608 11.577 1.356 317 HA ASP 39 HA ASP 39 3.255 13.022 -1.004 318 HB2 ASP 39 HB2 ASP 39 3.756 13.499 1.886 319 HB3 ASP 39 HB3 ASP 39 4.696 14.413 0.700 320 H GLN 40 H GLN 40 5.128 10.513 0.389 321 HA GLN 40 HA GLN 40 7.485 11.417 -1.222 322 HB2 GLN 40 HB2 GLN 40 7.908 10.866 1.092 323 HB3 GLN 40 HB3 GLN 40 7.248 9.243 0.887 324 HG2 GLN 40 HG2 GLN 40 9.110 8.490 -0.309 325 HG3 GLN 40 HG3 GLN 40 9.460 10.085 -0.980 326 HE21 GLN 40 1HE2 GLN 40 11.232 11.108 -0.181 327 HE22 GLN 40 2HE2 GLN 40 11.867 10.853 1.441 328 H ASN 41 H ASN 41 4.860 9.080 -1.336 329 HA ASN 41 HA ASN 41 6.046 7.661 -3.627 330 HB2 ASN 41 HB2 ASN 41 6.139 5.520 -2.296 331 HB3 ASN 41 HB3 ASN 41 7.182 6.738 -1.610 332 HD21 ASN 41 1HD2 ASN 41 6.906 7.111 0.602 333 HD22 ASN 41 2HD2 ASN 41 5.397 6.734 1.421 334 H ARG 42 H ARG 42 4.486 5.743 -4.328 335 HA ARG 42 HA ARG 42 1.687 6.317 -3.609 336 HB2 ARG 42 HB2 ARG 42 2.619 7.938 -5.515 337 HB3 ARG 42 HB3 ARG 42 2.276 6.565 -6.564 338 HG2 ARG 42 HG2 ARG 42 -0.086 6.560 -5.763 339 HG3 ARG 42 HG3 ARG 42 0.315 7.854 -4.610 340 HD2 ARG 42 HD2 ARG 42 0.991 9.279 -6.620 341 HD3 ARG 42 HD3 ARG 42 0.241 8.039 -7.643 342 HE ARG 42 HE ARG 42 -1.493 9.007 -5.486 343 HH11 ARG 42 1HH1 ARG 42 -0.572 9.817 -8.823 344 HH12 ARG 42 2HH1 ARG 42 -2.036 10.791 -8.964 345 HH21 ARG 42 1HH2 ARG 42 -3.291 10.277 -5.905 346 HH22 ARG 42 2HH2 ARG 42 -3.366 11.057 -7.478 347 H LEU 43 H LEU 43 0.523 4.593 -3.598 348 HA LEU 43 HA LEU 43 1.712 2.038 -4.063 349 HB2 LEU 43 HB2 LEU 43 0.242 2.781 -2.155 350 HB3 LEU 43 HB3 LEU 43 -1.117 2.819 -3.272 351 HG LEU 43 HG LEU 43 -0.790 0.324 -3.641 352 HD11 LEU 43 1HD1 LEU 43 0.503 -0.894 -1.917 353 HD12 LEU 43 2HD1 LEU 43 1.087 0.643 -1.245 354 HD13 LEU 43 3HD1 LEU 43 1.569 0.132 -2.875 355 HD21 LEU 43 3HD2 LEU 43 -2.500 1.215 -2.117 356 HD22 LEU 43 1HD2 LEU 43 -1.301 1.360 -0.808 357 HD23 LEU 43 2HD2 LEU 43 -1.783 -0.233 -1.405 358 H ILE 44 H ILE 44 1.677 0.763 -5.799 359 HA ILE 44 HA ILE 44 -0.400 1.216 -7.944 360 HB ILE 44 HB ILE 44 2.382 0.052 -8.240 361 HG12 ILE 44 2HG1 ILE 44 2.683 2.340 -7.649 362 HG13 ILE 44 3HG1 ILE 44 3.058 2.119 -9.341 363 HG21 ILE 44 1HG2 ILE 44 0.958 -0.756 -10.026 364 HG22 ILE 44 2HG2 ILE 44 0.330 0.878 -10.340 365 HG23 ILE 44 3HG2 ILE 44 2.022 0.480 -10.685 366 HD11 ILE 44 3HD1 ILE 44 0.887 3.139 -9.996 367 HD12 ILE 44 1HD1 ILE 44 0.483 3.374 -8.281 368 HD13 ILE 44 2HD1 ILE 44 1.858 4.227 -8.993 369 H PHE 45 H PHE 45 -1.489 -0.527 -8.909 370 HA PHE 45 HA PHE 45 -0.715 -3.259 -8.057 371 HB2 PHE 45 HB2 PHE 45 -2.393 -2.690 -6.476 372 HB3 PHE 45 HB3 PHE 45 -3.471 -2.121 -7.746 373 HD1 PHE 45 HD1 PHE 45 -1.787 -5.166 -6.407 374 HD2 PHE 45 HD2 PHE 45 -5.007 -3.630 -8.829 375 HE1 PHE 45 HE1 PHE 45 -2.817 -7.412 -6.449 376 HE2 PHE 45 HE2 PHE 45 -6.030 -5.894 -8.875 377 HZ PHE 45 HZ PHE 45 -4.964 -7.777 -7.669 378 H ALA 46 H ALA 46 -0.299 -4.447 -9.742 379 HA ALA 46 HA ALA 46 -0.078 -5.079 -11.918 380 HB1 ALA 46 HB1 ALA 46 -2.122 -6.059 -12.808 381 HB2 ALA 46 HB2 ALA 46 -2.013 -6.333 -11.057 382 HB3 ALA 46 HB3 ALA 46 -3.107 -5.082 -11.698 383 H GLY 47 H GLY 47 0.301 -2.334 -11.867 384 HA2 GLY 47 HA2 GLY 47 0.746 -0.749 -13.525 385 HA3 GLY 47 HA3 GLY 47 -0.330 -1.594 -14.636 386 H LYS 48 H LYS 48 -2.470 -1.378 -12.282 387 HA LYS 48 HA LYS 48 -3.452 1.325 -12.994 388 HB2 LYS 48 HB2 LYS 48 -4.636 -0.935 -11.327 389 HB3 LYS 48 HB3 LYS 48 -5.348 0.676 -11.413 390 HG2 LYS 48 HG2 LYS 48 -5.549 0.486 -13.876 391 HG3 LYS 48 HG3 LYS 48 -4.890 -1.157 -13.804 392 HD2 LYS 48 HD2 LYS 48 -6.801 -1.908 -12.457 393 HD3 LYS 48 HD3 LYS 48 -7.438 -0.245 -12.384 394 HE2 LYS 48 HE2 LYS 48 -7.660 -0.225 -14.861 395 HE3 LYS 48 HE3 LYS 48 -7.029 -1.867 -14.945 396 HZ1 LYS 48 HZ1 LYS 48 -9.416 -1.852 -15.071 397 HZ2 LYS 48 HZ2 LYS 48 -9.583 -1.080 -13.637 398 HZ3 LYS 48 HZ3 LYS 48 -8.981 -2.612 -13.695 399 H GLN 49 H GLN 49 -3.503 3.060 -11.702 400 HA GLN 49 HA GLN 49 -2.163 3.144 -9.082 401 HB2 GLN 49 HB2 GLN 49 -4.036 5.084 -10.542 402 HB3 GLN 49 HB3 GLN 49 -3.405 5.366 -8.928 403 HG2 GLN 49 HG2 GLN 49 -2.071 6.622 -10.437 404 HG3 GLN 49 HG3 GLN 49 -1.082 5.316 -9.789 405 HE21 GLN 49 1HE2 GLN 49 -3.251 5.911 -12.682 406 HE22 GLN 49 2HE2 GLN 49 -2.163 5.058 -13.758 407 H LEU 50 H LEU 50 -3.311 3.473 -7.083 408 HA LEU 50 HA LEU 50 -6.074 2.315 -6.995 409 HB2 LEU 50 HB2 LEU 50 -3.843 2.218 -4.928 410 HB3 LEU 50 HB3 LEU 50 -5.515 1.739 -4.636 411 HG LEU 50 HG LEU 50 -3.584 0.417 -6.593 412 HD11 LEU 50 1HD1 LEU 50 -4.879 -0.486 -3.981 413 HD12 LEU 50 2HD1 LEU 50 -3.164 -0.088 -4.237 414 HD13 LEU 50 3HD1 LEU 50 -3.883 -1.496 -5.038 415 HD21 LEU 50 3HD2 LEU 50 -6.518 -0.178 -5.987 416 HD22 LEU 50 1HD2 LEU 50 -5.424 -1.317 -6.794 417 HD23 LEU 50 2HD2 LEU 50 -5.794 0.219 -7.563 418 H GLU 51 H GLU 51 -7.040 4.219 -7.460 419 HA GLU 51 HA GLU 51 -6.842 6.422 -5.511 420 HB2 GLU 51 HB2 GLU 51 -7.460 6.330 -8.239 421 HB3 GLU 51 HB3 GLU 51 -9.038 6.615 -7.430 422 HG2 GLU 51 HG2 GLU 51 -7.976 8.470 -6.136 423 HG3 GLU 51 HG3 GLU 51 -6.437 8.160 -6.932 424 H ASP 52 H ASP 52 -8.337 6.977 -4.142 425 HA ASP 52 HA ASP 52 -9.800 4.912 -2.918 426 HB2 ASP 52 HB2 ASP 52 -10.248 7.134 -1.354 427 HB3 ASP 52 HB3 ASP 52 -8.974 5.940 -1.216 428 H GLY 53 H GLY 53 -11.877 5.680 -1.612 429 HA2 GLY 53 HA2 GLY 53 -14.186 6.106 -1.819 430 HA3 GLY 53 HA3 GLY 53 -14.001 6.383 -3.543 431 H ARG 54 H ARG 54 -12.536 3.825 -4.083 432 HA ARG 54 HA ARG 54 -14.838 1.947 -3.940 433 HB2 ARG 54 HB2 ARG 54 -12.108 1.545 -5.179 434 HB3 ARG 54 HB3 ARG 54 -13.486 0.458 -5.306 435 HG2 ARG 54 HG2 ARG 54 -14.779 2.420 -6.373 436 HG3 ARG 54 HG3 ARG 54 -13.198 3.217 -6.539 437 HD2 ARG 54 HD2 ARG 54 -12.354 1.233 -7.779 438 HD3 ARG 54 HD3 ARG 54 -13.917 0.456 -7.584 439 HE ARG 54 HE ARG 54 -13.712 3.049 -9.075 440 HH11 ARG 54 1HH1 ARG 54 -14.741 -0.376 -9.216 441 HH12 ARG 54 2HH1 ARG 54 -15.141 -0.197 -10.907 442 HH21 ARG 54 1HH2 ARG 54 -14.495 3.150 -11.084 443 HH22 ARG 54 2HH2 ARG 54 -15.108 1.699 -11.869 444 H THR 55 H THR 55 -14.092 -0.459 -3.497 445 HA THR 55 HA THR 55 -12.552 -0.599 -0.961 446 HB THR 55 HB THR 55 -13.743 -2.339 -0.121 447 HG1 THR 55 HG1 THR 55 -15.209 -3.525 -1.389 448 HG21 THR 55 1HG2 THR 55 -15.952 -0.917 -1.670 449 HG22 THR 55 2HG2 THR 55 -15.186 -0.276 -0.196 450 HG23 THR 55 3HG2 THR 55 -16.086 -1.797 -0.134 451 H LEU 56 H LEU 56 -11.422 -2.663 -0.518 452 HA LEU 56 HA LEU 56 -9.392 -3.285 -2.382 453 HB2 LEU 56 HB2 LEU 56 -10.720 -4.851 -0.154 454 HB3 LEU 56 HB3 LEU 56 -9.321 -5.489 -1.002 455 HG LEU 56 HG LEU 56 -9.268 -2.861 0.550 456 HD11 LEU 56 1HD1 LEU 56 -8.040 -4.134 2.246 457 HD12 LEU 56 2HD1 LEU 56 -8.198 -5.627 1.289 458 HD13 LEU 56 3HD1 LEU 56 -9.631 -4.847 1.993 459 HD21 LEU 56 3HD2 LEU 56 -7.543 -2.884 -1.160 460 HD22 LEU 56 1HD2 LEU 56 -7.125 -4.576 -0.788 461 HD23 LEU 56 2HD2 LEU 56 -6.753 -3.297 0.361 462 H SER 57 H SER 57 -12.337 -5.247 -1.700 463 HA SER 57 HA SER 57 -11.748 -7.285 -3.543 464 HB2 SER 57 HB2 SER 57 -13.483 -7.469 -1.796 465 HB3 SER 57 HB3 SER 57 -14.493 -6.304 -2.674 466 HG SER 57 HG SER 57 -14.131 -7.925 -4.504 467 H ASP 58 H ASP 58 -13.151 -4.113 -4.260 468 HA ASP 58 HA ASP 58 -14.293 -5.042 -6.829 469 HB2 ASP 58 HB2 ASP 58 -15.284 -3.182 -5.423 470 HB3 ASP 58 HB3 ASP 58 -13.917 -2.175 -5.882 471 H TYR 59 H TYR 59 -11.275 -3.559 -5.759 472 HA TYR 59 HA TYR 59 -10.224 -3.273 -8.466 473 HB2 TYR 59 HB2 TYR 59 -9.088 -2.806 -5.741 474 HB3 TYR 59 HB3 TYR 59 -8.011 -3.011 -7.098 475 HD1 TYR 59 HD2 TYR 59 -7.974 -1.428 -9.001 476 HD2 TYR 59 HD1 TYR 59 -10.245 -0.701 -5.418 477 HE1 TYR 59 HE2 TYR 59 -7.865 1.039 -9.430 478 HE2 TYR 59 HE1 TYR 59 -10.098 1.767 -5.855 479 HH TYR 59 HH TYR 59 -9.172 3.383 -7.061 480 H ASN 60 H ASN 60 -11.011 -5.994 -6.935 481 HA ASN 60 HA ASN 60 -10.411 -8.124 -6.865 482 HB2 ASN 60 HB2 ASN 60 -10.357 -7.912 -9.340 483 HB3 ASN 60 HB3 ASN 60 -8.618 -7.598 -9.252 484 HD21 ASN 60 1HD2 ASN 60 -7.830 -9.497 -10.289 485 HD22 ASN 60 2HD2 ASN 60 -8.203 -11.085 -9.656 486 H ILE 61 H ILE 61 -9.061 -6.355 -5.101 487 HA ILE 61 HA ILE 61 -6.392 -7.613 -4.736 488 HB ILE 61 HB ILE 61 -7.674 -5.532 -2.957 489 HG12 ILE 61 2HG1 ILE 61 -5.921 -5.000 -5.390 490 HG13 ILE 61 3HG1 ILE 61 -7.623 -4.612 -5.245 491 HG21 ILE 61 1HG2 ILE 61 -5.742 -6.846 -2.063 492 HG22 ILE 61 2HG2 ILE 61 -4.765 -6.329 -3.456 493 HG23 ILE 61 3HG2 ILE 61 -5.330 -5.146 -2.260 494 HD11 ILE 61 3HD1 ILE 61 -7.176 -3.036 -3.422 495 HD12 ILE 61 1HD1 ILE 61 -5.426 -3.334 -3.599 496 HD13 ILE 61 2HD1 ILE 61 -6.349 -2.614 -4.925 497 H GLN 62 H GLN 62 -6.261 -9.456 -3.578 498 HA GLN 62 HA GLN 62 -8.592 -10.288 -1.905 499 HB2 GLN 62 HB2 GLN 62 -6.676 -12.039 -3.495 500 HB3 GLN 62 HB3 GLN 62 -8.137 -12.551 -2.667 501 HG2 GLN 62 HG2 GLN 62 -8.011 -10.765 -5.137 502 HG3 GLN 62 HG3 GLN 62 -8.474 -12.455 -5.094 503 HE21 GLN 62 1HE2 GLN 62 -10.222 -10.569 -6.236 504 HE22 GLN 62 2HE2 GLN 62 -11.587 -10.399 -5.120 505 H LYS 63 H LYS 63 -7.898 -12.258 -0.419 506 HA LYS 63 HA LYS 63 -5.873 -11.301 1.409 507 HB2 LYS 63 HB2 LYS 63 -6.096 -13.394 2.590 508 HB3 LYS 63 HB3 LYS 63 -7.627 -12.587 2.361 509 HG2 LYS 63 HG2 LYS 63 -8.582 -14.337 1.363 510 HG3 LYS 63 HG3 LYS 63 -7.224 -14.615 0.283 511 HD2 LYS 63 HD2 LYS 63 -6.326 -16.241 1.555 512 HD3 LYS 63 HD3 LYS 63 -6.620 -15.433 3.079 513 HE2 LYS 63 HE2 LYS 63 -8.817 -16.907 1.561 514 HE3 LYS 63 HE3 LYS 63 -7.742 -17.670 2.726 515 HZ1 LYS 63 HZ1 LYS 63 -8.520 -15.868 4.331 516 HZ2 LYS 63 HZ2 LYS 63 -9.533 -17.086 4.022 517 HZ3 LYS 63 HZ3 LYS 63 -9.784 -15.625 3.297 518 H GLU 64 H GLU 64 -3.841 -11.595 1.543 519 HA GLU 64 HA GLU 64 -1.728 -12.050 1.117 520 HB2 GLU 64 HB2 GLU 64 -2.610 -14.775 0.120 521 HB3 GLU 64 HB3 GLU 64 -0.978 -14.281 0.506 522 HG2 GLU 64 HG2 GLU 64 -2.244 -13.568 2.841 523 HG3 GLU 64 HG3 GLU 64 -3.273 -14.899 2.337 524 H SER 65 H SER 65 -3.535 -10.884 -1.125 525 HA SER 65 HA SER 65 -1.975 -11.290 -3.526 526 HB2 SER 65 HB2 SER 65 -3.876 -9.069 -2.709 527 HB3 SER 65 HB3 SER 65 -3.110 -9.181 -4.298 528 HG SER 65 HG SER 65 -4.153 -11.217 -4.602 529 H THR 66 H THR 66 -0.386 -10.132 -4.460 530 HA THR 66 HA THR 66 1.181 -8.257 -2.905 531 HB THR 66 HB THR 66 1.889 -8.877 -5.733 532 HG1 THR 66 HG1 THR 66 2.785 -10.794 -5.124 533 HG21 THR 66 1HG2 THR 66 3.380 -7.427 -4.400 534 HG22 THR 66 2HG2 THR 66 4.166 -8.960 -4.803 535 HG23 THR 66 3HG2 THR 66 3.520 -8.700 -3.168 536 H LEU 67 H LEU 67 1.445 -6.131 -3.088 537 HA LEU 67 HA LEU 67 0.406 -4.680 -5.493 538 HB2 LEU 67 HB2 LEU 67 0.743 -3.683 -2.626 539 HB3 LEU 67 HB3 LEU 67 0.256 -2.732 -4.018 540 HG LEU 67 HG LEU 67 -1.669 -4.635 -4.182 541 HD11 LEU 67 1HD1 LEU 67 -1.072 -4.422 -1.191 542 HD12 LEU 67 2HD1 LEU 67 -0.981 -5.901 -2.160 543 HD13 LEU 67 3HD1 LEU 67 -2.543 -5.122 -1.908 544 HD21 LEU 67 3HD2 LEU 67 -3.138 -3.072 -3.048 545 HD22 LEU 67 1HD2 LEU 67 -1.943 -2.185 -4.011 546 HD23 LEU 67 2HD2 LEU 67 -1.750 -2.302 -2.247 547 H HIS 68 H HIS 68 1.745 -2.879 -6.213 548 HA HIS 68 HA HIS 68 4.657 -2.963 -5.499 549 HB2 HIS 68 HB2 HIS 68 3.315 -2.044 -8.057 550 HB3 HIS 68 HB3 HIS 68 4.960 -1.727 -7.641 551 HD1 HIS 68 HD1 HIS 68 3.318 -5.267 -7.648 552 HD2 HIS 68 HD2 HIS 68 6.478 -2.980 -9.209 553 HE1 HIS 68 HE1 HIS 68 4.740 -6.862 -9.061 554 H LEU 69 H LEU 69 5.726 -1.148 -5.578 555 HA LEU 69 HA LEU 69 4.038 1.202 -4.968 556 HB2 LEU 69 HB2 LEU 69 5.135 0.249 -2.960 557 HB3 LEU 69 HB3 LEU 69 6.681 0.447 -3.762 558 HG LEU 69 HG LEU 69 6.504 2.872 -3.628 559 HD11 LEU 69 1HD1 LEU 69 4.029 3.058 -3.679 560 HD12 LEU 69 2HD1 LEU 69 4.671 3.861 -2.248 561 HD13 LEU 69 3HD1 LEU 69 3.929 2.263 -2.104 562 HD21 LEU 69 3HD2 LEU 69 6.722 3.066 -1.191 563 HD22 LEU 69 1HD2 LEU 69 7.611 1.681 -1.839 564 HD23 LEU 69 2HD2 LEU 69 6.058 1.429 -1.003 565 H VAL 70 H VAL 70 4.824 3.233 -5.576 566 HA VAL 70 HA VAL 70 7.617 3.255 -6.620 567 HB VAL 70 HB VAL 70 6.835 5.527 -7.851 568 HG11 VAL 70 1HG1 VAL 70 6.679 4.354 -9.865 569 HG12 VAL 70 2HG1 VAL 70 7.997 3.754 -8.842 570 HG13 VAL 70 3HG1 VAL 70 6.489 2.826 -8.991 571 HG21 VAL 70 3HG2 VAL 70 4.286 3.937 -8.101 572 HG22 VAL 70 1HG2 VAL 70 4.450 5.434 -7.151 573 HG23 VAL 70 2HG2 VAL 70 4.713 5.460 -8.899 574 H LEU 71 H LEU 71 8.563 5.361 -6.546 575 HA LEU 71 HA LEU 71 7.881 7.122 -4.381 576 HB2 LEU 71 HB2 LEU 71 9.477 7.535 -6.904 577 HB3 LEU 71 HB3 LEU 71 9.257 8.810 -5.723 578 HG LEU 71 HG LEU 71 10.538 6.154 -5.026 579 HD11 LEU 71 1HD1 LEU 71 11.889 7.388 -6.679 580 HD12 LEU 71 2HD1 LEU 71 12.658 7.412 -5.086 581 HD13 LEU 71 3HD1 LEU 71 11.800 8.851 -5.676 582 HD21 LEU 71 3HD2 LEU 71 10.413 8.833 -3.559 583 HD22 LEU 71 1HD2 LEU 71 11.360 7.421 -3.051 584 HD23 LEU 71 2HD2 LEU 71 9.597 7.337 -3.060 585 H ARG 72 H ARG 72 7.331 9.256 -4.567 586 HA ARG 72 HA ARG 72 5.821 10.157 -6.946 587 HB2 ARG 72 HB2 ARG 72 6.684 11.670 -4.454 588 HB3 ARG 72 HB3 ARG 72 5.994 12.425 -5.895 589 HG2 ARG 72 HG2 ARG 72 3.918 11.013 -5.590 590 HG3 ARG 72 HG3 ARG 72 4.618 10.436 -4.071 591 HD2 ARG 72 HD2 ARG 72 3.520 12.203 -3.174 592 HD3 ARG 72 HD3 ARG 72 4.953 13.094 -3.682 593 HE ARG 72 HE ARG 72 2.985 13.103 -5.777 594 HH11 ARG 72 1HH1 ARG 72 3.571 14.573 -2.592 595 HH12 ARG 72 2HH1 ARG 72 2.352 15.762 -2.867 596 HH21 ARG 72 1HH2 ARG 72 1.349 14.762 -5.917 597 HH22 ARG 72 2HH2 ARG 72 1.265 15.884 -4.583 598 H LEU 73 H LEU 73 8.656 11.644 -5.363 599 HA LEU 73 HA LEU 73 10.092 11.796 -7.935 600 HB2 LEU 73 HB2 LEU 73 8.365 13.499 -8.212 601 HB3 LEU 73 HB3 LEU 73 8.766 14.216 -6.656 602 HG LEU 73 HG LEU 73 11.006 14.881 -7.554 603 HD11 LEU 73 1HD1 LEU 73 9.886 13.861 -10.205 604 HD12 LEU 73 2HD1 LEU 73 11.293 13.198 -9.341 605 HD13 LEU 73 3HD1 LEU 73 11.362 14.830 -10.009 606 HD21 LEU 73 3HD2 LEU 73 10.157 16.679 -9.000 607 HD22 LEU 73 1HD2 LEU 73 9.101 16.441 -7.600 608 HD23 LEU 73 2HD2 LEU 73 8.618 15.817 -9.194 609 H ARG 74 H ARG 74 10.069 13.595 -4.767 610 HA ARG 74 HA ARG 74 12.985 13.770 -4.841 611 HB2 ARG 74 HB2 ARG 74 11.429 15.556 -3.919 612 HB3 ARG 74 HB3 ARG 74 11.079 14.474 -2.585 613 HG2 ARG 74 HG2 ARG 74 12.727 15.554 -1.530 614 HG3 ARG 74 HG3 ARG 74 13.833 14.520 -2.416 615 HD2 ARG 74 HD2 ARG 74 12.897 17.287 -3.335 616 HD3 ARG 74 HD3 ARG 74 14.337 17.009 -2.383 617 HE ARG 74 HE ARG 74 13.925 16.212 -5.222 618 HH11 ARG 74 1HH1 ARG 74 16.261 16.855 -2.620 619 HH12 ARG 74 2HH1 ARG 74 17.567 16.866 -3.770 620 HH21 ARG 74 1HH2 ARG 74 15.746 16.308 -6.561 621 HH22 ARG 74 2HH2 ARG 74 17.288 16.583 -5.813 622 H GLY 75 H GLY 75 14.236 12.093 -4.419 623 HA2 GLY 75 HA2 GLY 75 13.529 9.955 -2.522 624 HA3 GLY 75 HA3 GLY 75 15.035 10.126 -3.438 625 H GLY 76 H GLY 76 13.760 10.259 -0.357 626 HA2 GLY 76 HA2 GLY 76 16.131 10.789 1.006 627 HA3 GLY 76 HA3 GLY 76 15.331 12.360 0.849
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