NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476547 | 2kop | 16525 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 11.460 -5.629 5.471 2 H2 ALA 1 HT2 ALA 1 12.146 -7.165 5.435 3 H3 ALA 1 HT3 ALA 1 10.694 -6.873 4.628 4 HA ALA 1 HA ALA 1 11.702 -5.516 3.047 5 HB1 ALA 1 HB1 ALA 1 14.287 -6.022 4.527 6 HB2 ALA 1 HB2 ALA 1 13.407 -4.494 4.491 7 HB3 ALA 1 HB3 ALA 1 14.114 -5.138 3.010 8 H ALA 2 HN ALA 2 10.790 -7.343 2.153 9 HA ALA 2 HA ALA 2 12.798 -9.370 1.460 10 HB1 ALA 2 HB1 ALA 2 11.102 -10.321 2.944 11 HB2 ALA 2 HB2 ALA 2 11.033 -11.047 1.338 12 HB3 ALA 2 HB3 ALA 2 9.840 -9.840 1.812 13 H THR 3 HN THR 3 9.544 -8.615 0.314 14 HA THR 3 HA THR 3 10.166 -7.534 -2.151 15 HB THR 3 HB THR 3 11.294 -9.724 -2.578 16 HG1 THR 3 HG1 THR 3 10.661 -9.324 -4.527 17 HG21 THR 3 HG21 THR 3 9.976 -11.167 -1.137 18 HG22 THR 3 HG22 THR 3 9.926 -11.786 -2.789 19 HG23 THR 3 HG23 THR 3 8.545 -10.906 -2.132 20 H GLN 4 HN GLN 4 8.265 -8.442 -3.627 21 HA GLN 4 HA GLN 4 5.944 -7.289 -2.721 22 HB2 GLN 4 HB2 GLN 4 6.068 -7.512 -5.024 23 HB3 GLN 4 HB1 GLN 4 6.440 -9.227 -4.943 24 HG2 GLN 4 HG2 GLN 4 3.802 -8.288 -3.983 25 HG3 GLN 4 HG1 GLN 4 4.073 -8.352 -5.715 26 HE21 GLN 4 HE21 GLN 4 2.330 -9.982 -3.861 27 HE22 GLN 4 HE22 GLN 4 2.833 -11.613 -4.106 28 H GLU 5 HN GLU 5 6.697 -10.753 -2.488 29 HA GLU 5 HA GLU 5 4.235 -11.618 -1.497 30 HB2 GLU 5 HB2 GLU 5 7.014 -12.686 -1.071 31 HB3 GLU 5 HB1 GLU 5 5.592 -13.485 -0.418 32 HG2 GLU 5 HG2 GLU 5 6.027 -12.900 -3.340 33 HG3 GLU 5 HG1 GLU 5 6.390 -14.439 -2.558 34 H GLU 6 HN GLU 6 6.695 -9.857 0.089 35 HA GLU 6 HA GLU 6 5.648 -10.271 2.766 36 HB2 GLU 6 HB2 GLU 6 8.047 -9.858 2.497 37 HB3 GLU 6 HB1 GLU 6 7.704 -8.408 1.586 38 HG2 GLU 6 HG2 GLU 6 6.682 -7.394 3.563 39 HG3 GLU 6 HG1 GLU 6 7.100 -8.831 4.496 40 H ILE 7 HN ILE 7 5.612 -7.863 0.195 41 HA ILE 7 HA ILE 7 4.602 -5.759 1.810 42 HB ILE 7 HB ILE 7 4.838 -6.103 -1.176 43 HG12 ILE 7 HG12 ILE 7 6.610 -4.618 0.749 44 HG13 ILE 7 HG11 ILE 7 6.917 -6.271 0.240 45 HG21 ILE 7 HG21 ILE 7 4.407 -3.626 0.504 46 HG22 ILE 7 HG22 ILE 7 3.214 -4.370 -0.560 47 HG23 ILE 7 HG23 ILE 7 4.677 -3.655 -1.238 48 HD11 ILE 7 HD11 ILE 7 7.116 -5.515 -2.062 49 HD12 ILE 7 HD12 ILE 7 8.238 -4.663 -0.993 50 HD13 ILE 7 HD13 ILE 7 6.769 -3.866 -1.544 51 H VAL 8 HN VAL 8 3.289 -7.301 -1.054 52 HA VAL 8 HA VAL 8 0.684 -6.424 -0.842 53 HB VAL 8 HB VAL 8 1.811 -8.936 -2.096 54 HG11 VAL 8 HG11 VAL 8 -0.206 -9.023 -3.462 55 HG12 VAL 8 HG12 VAL 8 -0.885 -7.667 -2.560 56 HG13 VAL 8 HG13 VAL 8 -0.598 -9.208 -1.754 57 HG21 VAL 8 HG21 VAL 8 1.706 -7.629 -4.157 58 HG22 VAL 8 HG22 VAL 8 2.726 -6.862 -2.933 59 HG23 VAL 8 HG23 VAL 8 1.110 -6.247 -3.235 60 H ALA 9 HN ALA 9 1.912 -9.485 0.431 61 HA ALA 9 HA ALA 9 -0.489 -10.349 1.464 62 HB1 ALA 9 HB1 ALA 9 2.259 -10.788 2.615 63 HB2 ALA 9 HB2 ALA 9 1.497 -11.755 1.353 64 HB3 ALA 9 HB3 ALA 9 0.825 -11.745 2.987 65 H GLY 10 HN GLY 10 1.883 -8.051 2.848 66 HA2 GLY 10 HA2 GLY 10 0.555 -8.067 5.306 67 HA3 GLY 10 HA1 GLY 10 1.954 -7.092 4.885 68 H LEU 11 HN LEU 11 0.832 -5.985 2.547 69 HA LEU 11 HA LEU 11 -0.326 -3.681 3.612 70 HB2 LEU 11 HB2 LEU 11 0.940 -4.489 1.302 71 HB3 LEU 11 HB1 LEU 11 -0.700 -4.197 0.779 72 HG LEU 11 HG LEU 11 1.104 -2.180 2.133 73 HD11 LEU 11 HD11 LEU 11 1.120 -1.081 -0.038 74 HD12 LEU 11 HD12 LEU 11 0.178 -2.406 -0.721 75 HD13 LEU 11 HD13 LEU 11 1.811 -2.699 -0.123 76 HD21 LEU 11 HD21 LEU 11 -0.626 -0.574 1.616 77 HD22 LEU 11 HD22 LEU 11 -1.255 -1.853 2.661 78 HD23 LEU 11 HD23 LEU 11 -1.634 -1.853 0.939 79 H ALA 12 HN ALA 12 -1.549 -6.504 1.906 80 HA ALA 12 HA ALA 12 -4.207 -5.698 1.617 81 HB1 ALA 12 HB1 ALA 12 -3.115 -8.468 2.043 82 HB2 ALA 12 HB2 ALA 12 -3.269 -7.642 0.490 83 HB3 ALA 12 HB3 ALA 12 -4.713 -8.066 1.415 84 H GLU 13 HN GLU 13 -2.509 -7.369 4.207 85 HA GLU 13 HA GLU 13 -4.786 -7.755 5.796 86 HB2 GLU 13 HB2 GLU 13 -1.890 -7.757 6.599 87 HB3 GLU 13 HB1 GLU 13 -3.209 -8.189 7.684 88 HG2 GLU 13 HG2 GLU 13 -3.872 -9.963 6.174 89 HG3 GLU 13 HG1 GLU 13 -2.539 -9.564 5.098 90 H ILE 14 HN ILE 14 -2.548 -5.166 5.651 91 HA ILE 14 HA ILE 14 -3.541 -3.658 7.828 92 HB ILE 14 HB ILE 14 -2.483 -2.596 5.174 93 HG12 ILE 14 HG12 ILE 14 -0.952 -3.012 7.728 94 HG13 ILE 14 HG11 ILE 14 -1.051 -4.260 6.495 95 HG21 ILE 14 HG21 ILE 14 -1.899 -0.622 6.455 96 HG22 ILE 14 HG22 ILE 14 -2.625 -1.323 7.903 97 HG23 ILE 14 HG23 ILE 14 -3.637 -0.913 6.512 98 HD11 ILE 14 HD11 ILE 14 0.971 -3.007 6.309 99 HD12 ILE 14 HD12 ILE 14 0.046 -1.503 6.123 100 HD13 ILE 14 HD13 ILE 14 -0.071 -2.790 4.905 101 H VAL 15 HN VAL 15 -4.511 -3.861 4.448 102 HA VAL 15 HA VAL 15 -6.537 -1.869 4.574 103 HB VAL 15 HB VAL 15 -6.008 -4.038 2.506 104 HG11 VAL 15 HG11 VAL 15 -7.809 -1.642 2.309 105 HG12 VAL 15 HG12 VAL 15 -8.326 -3.328 2.412 106 HG13 VAL 15 HG13 VAL 15 -7.420 -2.765 1.006 107 HG21 VAL 15 HG21 VAL 15 -4.224 -2.414 2.698 108 HG22 VAL 15 HG22 VAL 15 -5.388 -1.099 2.518 109 HG23 VAL 15 HG23 VAL 15 -5.096 -2.212 1.177 110 H ASN 16 HN ASN 16 -6.383 -5.180 5.293 111 HA ASN 16 HA ASN 16 -9.138 -5.898 5.226 112 HB2 ASN 16 HB2 ASN 16 -6.945 -6.980 7.018 113 HB3 ASN 16 HB1 ASN 16 -8.537 -7.677 6.848 114 HD21 ASN 16 HD21 ASN 16 -8.593 -7.372 3.974 115 HD22 ASN 16 HD22 ASN 16 -7.437 -8.521 3.358 116 H GLU 17 HN GLU 17 -7.004 -4.664 7.719 117 HA GLU 17 HA GLU 17 -9.069 -4.636 9.719 118 HB2 GLU 17 HB2 GLU 17 -6.268 -3.537 9.819 119 HB3 GLU 17 HB1 GLU 17 -7.321 -3.846 11.197 120 HG2 GLU 17 HG2 GLU 17 -7.307 -6.232 10.662 121 HG3 GLU 17 HG1 GLU 17 -6.233 -5.915 9.304 122 H ILE 18 HN ILE 18 -7.203 -2.215 7.931 123 HA ILE 18 HA ILE 18 -8.257 0.101 9.107 124 HB ILE 18 HB ILE 18 -7.157 -0.385 6.325 125 HG12 ILE 18 HG12 ILE 18 -5.646 -0.639 8.340 126 HG13 ILE 18 HG11 ILE 18 -5.101 0.499 7.121 127 HG21 ILE 18 HG21 ILE 18 -6.928 2.023 6.068 128 HG22 ILE 18 HG22 ILE 18 -7.804 2.263 7.578 129 HG23 ILE 18 HG23 ILE 18 -8.616 1.526 6.195 130 HD11 ILE 18 HD11 ILE 18 -5.957 2.315 8.584 131 HD12 ILE 18 HD12 ILE 18 -4.695 1.340 9.325 132 HD13 ILE 18 HD13 ILE 18 -6.386 1.094 9.790 133 H ALA 19 HN ALA 19 -9.307 -1.589 6.149 134 HA ALA 19 HA ALA 19 -11.784 -0.018 6.271 135 HB1 ALA 19 HB1 ALA 19 -10.576 -1.443 3.893 136 HB2 ALA 19 HB2 ALA 19 -10.511 0.293 4.194 137 HB3 ALA 19 HB3 ALA 19 -12.059 -0.488 3.886 138 H GLY 20 HN GLY 20 -11.085 -2.971 4.646 139 HA2 GLY 20 HA2 GLY 20 -12.018 -4.983 6.131 140 HA3 GLY 20 HA1 GLY 20 -13.526 -4.212 5.682 141 H ILE 21 HN ILE 21 -10.535 -4.928 4.143 142 HA ILE 21 HA ILE 21 -11.918 -5.930 1.780 143 HB ILE 21 HB ILE 21 -9.421 -4.613 2.431 144 HG12 ILE 21 HG12 ILE 21 -9.550 -3.789 0.120 145 HG13 ILE 21 HG11 ILE 21 -10.987 -4.788 -0.118 146 HG21 ILE 21 HG21 ILE 21 -8.011 -5.484 0.592 147 HG22 ILE 21 HG22 ILE 21 -9.100 -6.869 0.466 148 HG23 ILE 21 HG23 ILE 21 -8.223 -6.575 1.948 149 HD11 ILE 21 HD11 ILE 21 -10.667 -2.534 1.859 150 HD12 ILE 21 HD12 ILE 21 -12.110 -3.530 1.670 151 HD13 ILE 21 HD13 ILE 21 -11.583 -2.481 0.352 152 HA PRO 22 HA PRO 22 -10.338 -9.961 3.032 153 HB2 PRO 22 HB2 PRO 22 -10.657 -11.202 0.561 154 HB3 PRO 22 HB1 PRO 22 -11.921 -10.985 1.790 155 HG2 PRO 22 HG2 PRO 22 -11.793 -9.791 -0.796 156 HG3 PRO 22 HG1 PRO 22 -13.006 -9.517 0.466 157 HD2 PRO 22 HD2 PRO 22 -10.603 -7.932 -0.247 158 HD3 PRO 22 HD1 PRO 22 -12.105 -7.381 0.501 159 H VAL 23 HN VAL 23 -8.364 -11.039 2.921 160 HA VAL 23 HA VAL 23 -6.372 -9.601 1.564 161 HB VAL 23 HB VAL 23 -5.947 -10.412 3.830 162 HG11 VAL 23 HG11 VAL 23 -5.929 -13.189 2.712 163 HG12 VAL 23 HG12 VAL 23 -7.101 -12.494 3.833 164 HG13 VAL 23 HG13 VAL 23 -5.429 -12.742 4.344 165 HG21 VAL 23 HG21 VAL 23 -3.981 -9.939 2.500 166 HG22 VAL 23 HG22 VAL 23 -3.976 -11.589 1.874 167 HG23 VAL 23 HG23 VAL 23 -3.662 -11.292 3.586 168 H GLU 24 HN GLU 24 -7.621 -10.292 -0.370 169 HA GLU 24 HA GLU 24 -5.856 -12.006 -1.974 170 HB2 GLU 24 HB2 GLU 24 -7.608 -13.320 -2.944 171 HB3 GLU 24 HB1 GLU 24 -7.773 -13.354 -1.185 172 HG2 GLU 24 HG2 GLU 24 -9.634 -11.942 -1.194 173 HG3 GLU 24 HG1 GLU 24 -9.368 -11.466 -2.869 174 H ASP 25 HN ASP 25 -7.844 -9.276 -1.574 175 HA ASP 25 HA ASP 25 -8.386 -8.913 -4.404 176 HB2 ASP 25 HB2 ASP 25 -9.793 -8.218 -2.225 177 HB3 ASP 25 HB1 ASP 25 -8.863 -6.748 -2.446 178 H VAL 26 HN VAL 26 -6.425 -7.670 -1.853 179 HA VAL 26 HA VAL 26 -5.278 -5.514 -3.382 180 HB VAL 26 HB VAL 26 -4.215 -6.745 -0.829 181 HG11 VAL 26 HG11 VAL 26 -3.292 -4.541 -0.409 182 HG12 VAL 26 HG12 VAL 26 -3.924 -3.982 -1.968 183 HG13 VAL 26 HG13 VAL 26 -2.679 -5.232 -1.917 184 HG21 VAL 26 HG21 VAL 26 -5.483 -5.068 0.408 185 HG22 VAL 26 HG22 VAL 26 -6.537 -6.187 -0.457 186 HG23 VAL 26 HG23 VAL 26 -6.265 -4.563 -1.088 187 H LYS 27 HN LYS 27 -4.468 -6.558 -5.181 188 HA LYS 27 HA LYS 27 -2.281 -8.479 -4.817 189 HB2 LYS 27 HB2 LYS 27 -3.846 -7.634 -7.263 190 HB3 LYS 27 HB1 LYS 27 -2.611 -8.883 -7.193 191 HG2 LYS 27 HG2 LYS 27 -4.062 -10.257 -5.835 192 HG3 LYS 27 HG1 LYS 27 -5.243 -8.945 -5.729 193 HD2 LYS 27 HD2 LYS 27 -5.494 -9.031 -8.192 194 HD3 LYS 27 HD1 LYS 27 -4.401 -10.412 -8.230 195 HE2 LYS 27 HE2 LYS 27 -7.033 -10.310 -6.757 196 HE3 LYS 27 HE1 LYS 27 -6.783 -11.054 -8.330 197 HZ1 LYS 27 HZ1 LYS 27 -5.491 -11.911 -5.779 198 HZ2 LYS 27 HZ2 LYS 27 -5.235 -12.619 -7.270 199 HZ3 LYS 27 HZ3 LYS 27 -6.770 -12.672 -6.551 200 H LEU 28 HN LEU 28 -2.542 -6.638 -7.493 201 HA LEU 28 HA LEU 28 -0.738 -4.445 -6.809 202 HB2 LEU 28 HB2 LEU 28 -0.135 -6.526 -8.963 203 HB3 LEU 28 HB1 LEU 28 0.685 -5.000 -8.764 204 HG LEU 28 HG LEU 28 0.801 -7.240 -6.749 205 HD11 LEU 28 HD11 LEU 28 1.786 -7.929 -8.886 206 HD12 LEU 28 HD12 LEU 28 3.028 -7.679 -7.661 207 HD13 LEU 28 HD13 LEU 28 2.766 -6.462 -8.912 208 HD21 LEU 28 HD21 LEU 28 1.229 -5.020 -5.874 209 HD22 LEU 28 HD22 LEU 28 2.420 -4.746 -7.146 210 HD23 LEU 28 HD23 LEU 28 2.713 -5.979 -5.910 211 H ASP 29 HN ASP 29 -0.828 -2.948 -8.414 212 HA ASP 29 HA ASP 29 -1.778 -1.638 -9.989 213 HB2 ASP 29 HB2 ASP 29 -1.344 -3.648 -11.463 214 HB3 ASP 29 HB1 ASP 29 -2.983 -4.179 -11.131 215 H LYS 30 HN LYS 30 -3.245 -2.844 -7.570 216 HA LYS 30 HA LYS 30 -6.025 -2.226 -8.246 217 HB2 LYS 30 HB2 LYS 30 -4.879 -3.226 -5.634 218 HB3 LYS 30 HB1 LYS 30 -6.529 -2.728 -6.057 219 HG2 LYS 30 HG2 LYS 30 -5.347 -4.922 -7.661 220 HG3 LYS 30 HG1 LYS 30 -5.826 -5.205 -5.968 221 HD2 LYS 30 HD2 LYS 30 -8.023 -4.289 -6.406 222 HD3 LYS 30 HD1 LYS 30 -7.590 -4.050 -8.095 223 HE2 LYS 30 HE2 LYS 30 -7.570 -6.347 -8.533 224 HE3 LYS 30 HE1 LYS 30 -7.445 -6.757 -6.819 225 HZ1 LYS 30 HZ1 LYS 30 -9.715 -7.092 -7.820 226 HZ2 LYS 30 HZ2 LYS 30 -9.837 -5.375 -7.901 227 HZ3 LYS 30 HZ3 LYS 30 -9.621 -6.150 -6.437 228 H SER 31 HN SER 31 -6.799 -0.568 -7.776 229 HA SER 31 HA SER 31 -5.346 1.795 -7.076 230 HB2 SER 31 HB2 SER 31 -8.261 1.427 -7.513 231 HB3 SER 31 HB1 SER 31 -7.329 2.915 -7.772 232 HG SER 31 HG SER 31 -7.478 2.039 -9.744 233 H PHE 32 HN PHE 32 -5.906 -0.103 -4.804 234 HA PHE 32 HA PHE 32 -6.807 -0.320 -2.730 235 HB2 PHE 32 HB2 PHE 32 -5.514 2.394 -2.694 236 HB3 PHE 32 HB1 PHE 32 -6.171 1.654 -1.247 237 HD1 PHE 32 HD2 PHE 32 -5.185 -0.641 -0.532 238 HD2 PHE 32 HD1 PHE 32 -3.334 1.942 -3.387 239 HE1 PHE 32 HE2 PHE 32 -3.094 -1.772 -0.200 240 HE2 PHE 32 HE1 PHE 32 -1.215 0.774 -3.017 241 HZ PHE 32 HZ PHE 32 -1.098 -1.078 -1.437 242 H THR 33 HN THR 33 -7.467 3.004 -2.433 243 HA THR 33 HA THR 33 -10.007 2.674 -1.375 244 HB THR 33 HB THR 33 -8.681 4.708 -1.028 245 HG1 THR 33 HG1 THR 33 -10.965 4.863 -0.860 246 HG21 THR 33 HG21 THR 33 -8.478 6.401 -2.781 247 HG22 THR 33 HG22 THR 33 -9.247 5.299 -3.927 248 HG23 THR 33 HG23 THR 33 -7.676 4.899 -3.234 249 H ASP 34 HN ASP 34 -8.985 3.025 -4.712 250 HA ASP 34 HA ASP 34 -11.662 3.644 -5.620 251 HB2 ASP 34 HB2 ASP 34 -9.591 4.645 -6.625 252 HB3 ASP 34 HB1 ASP 34 -9.219 3.066 -7.278 253 H ASP 35 HN ASP 35 -9.422 0.904 -5.760 254 HA ASP 35 HA ASP 35 -11.410 -0.588 -7.334 255 HB2 ASP 35 HB2 ASP 35 -8.674 -0.839 -7.410 256 HB3 ASP 35 HB1 ASP 35 -9.094 -1.974 -6.184 257 H LEU 36 HN LEU 36 -9.717 -0.913 -4.288 258 HA LEU 36 HA LEU 36 -11.001 -3.348 -3.509 259 HB2 LEU 36 HB2 LEU 36 -9.547 -1.454 -1.717 260 HB3 LEU 36 HB1 LEU 36 -9.746 -3.201 -1.578 261 HG LEU 36 HG LEU 36 -8.056 -1.701 -3.517 262 HD11 LEU 36 HD11 LEU 36 -6.217 -2.583 -2.147 263 HD12 LEU 36 HD12 LEU 36 -7.436 -3.279 -1.062 264 HD13 LEU 36 HD13 LEU 36 -7.330 -1.535 -1.250 265 HD21 LEU 36 HD21 LEU 36 -8.825 -3.815 -4.428 266 HD22 LEU 36 HD22 LEU 36 -8.246 -4.654 -2.975 267 HD23 LEU 36 HD23 LEU 36 -7.102 -3.852 -4.062 268 H ASP 37 HN ASP 37 -11.251 0.081 -2.660 269 HA ASP 37 HA ASP 37 -12.897 1.305 -1.900 270 HB2 ASP 37 HB2 ASP 37 -14.680 -0.328 -2.511 271 HB3 ASP 37 HB1 ASP 37 -14.287 -1.172 -0.999 272 H VAL 38 HN VAL 38 -11.050 1.570 -0.853 273 HA VAL 38 HA VAL 38 -11.234 1.053 2.064 274 HB VAL 38 HB VAL 38 -8.838 2.207 0.619 275 HG11 VAL 38 HG11 VAL 38 -9.067 0.841 3.291 276 HG12 VAL 38 HG12 VAL 38 -8.811 2.564 2.997 277 HG13 VAL 38 HG13 VAL 38 -7.565 1.400 2.553 278 HG21 VAL 38 HG21 VAL 38 -7.824 -0.023 0.605 279 HG22 VAL 38 HG22 VAL 38 -9.274 0.059 -0.399 280 HG23 VAL 38 HG23 VAL 38 -9.343 -0.705 1.186 281 H ASP 39 HN ASP 39 -10.961 2.975 3.432 282 HA ASP 39 HA ASP 39 -12.040 5.368 2.223 283 HB2 ASP 39 HB2 ASP 39 -10.930 4.922 5.008 284 HB3 ASP 39 HB1 ASP 39 -11.651 6.423 4.468 285 H SER 40 HN SER 40 -10.863 6.709 1.095 286 HA SER 40 HA SER 40 -8.234 6.984 0.659 287 HB2 SER 40 HB2 SER 40 -9.617 8.267 -0.589 288 HB3 SER 40 HB1 SER 40 -10.376 9.034 0.820 289 H LEU 41 HN LEU 41 -9.898 8.714 3.297 290 HA LEU 41 HA LEU 41 -7.569 9.949 4.145 291 HB2 LEU 41 HB2 LEU 41 -8.824 10.548 6.230 292 HB3 LEU 41 HB1 LEU 41 -9.646 10.948 4.745 293 HG LEU 41 HG LEU 41 -10.936 8.706 5.170 294 HD11 LEU 41 HD11 LEU 41 -11.273 8.188 7.523 295 HD12 LEU 41 HD12 LEU 41 -10.008 9.339 7.955 296 HD13 LEU 41 HD13 LEU 41 -9.609 7.901 7.016 297 HD21 LEU 41 HD21 LEU 41 -11.973 10.891 5.157 298 HD22 LEU 41 HD22 LEU 41 -11.435 11.182 6.809 299 HD23 LEU 41 HD23 LEU 41 -12.614 9.912 6.475 300 H SER 42 HN SER 42 -8.881 6.811 4.877 301 HA SER 42 HA SER 42 -7.138 6.297 7.098 302 HB2 SER 42 HB2 SER 42 -8.923 4.433 5.532 303 HB3 SER 42 HB1 SER 42 -8.188 4.115 7.099 304 HG SER 42 HG SER 42 -9.483 5.558 8.050 305 H MET 43 HN MET 43 -6.944 6.176 3.721 306 HA MET 43 HA MET 43 -5.281 3.972 3.263 307 HB2 MET 43 HB2 MET 43 -5.590 6.551 1.728 308 HB3 MET 43 HB1 MET 43 -4.606 5.211 1.177 309 HG2 MET 43 HG2 MET 43 -7.481 4.720 1.804 310 HG3 MET 43 HG1 MET 43 -7.010 5.596 0.346 311 HE1 MET 43 HE1 MET 43 -4.429 2.969 1.484 312 HE2 MET 43 HE2 MET 43 -5.107 1.450 0.903 313 HE3 MET 43 HE3 MET 43 -5.847 2.285 2.278 314 H VAL 44 HN VAL 44 -4.648 7.253 4.208 315 HA VAL 44 HA VAL 44 -1.890 7.307 3.853 316 HB VAL 44 HB VAL 44 -3.434 8.656 6.100 317 HG11 VAL 44 HG11 VAL 44 -0.799 9.393 4.831 318 HG12 VAL 44 HG12 VAL 44 -1.028 8.730 6.449 319 HG13 VAL 44 HG13 VAL 44 -1.648 10.335 6.058 320 HG21 VAL 44 HG21 VAL 44 -4.434 9.180 3.941 321 HG22 VAL 44 HG22 VAL 44 -2.857 9.651 3.307 322 HG23 VAL 44 HG23 VAL 44 -3.607 10.595 4.595 323 H GLU 45 HN GLU 45 -3.869 6.175 6.575 324 HA GLU 45 HA GLU 45 -1.866 5.479 8.426 325 HB2 GLU 45 HB2 GLU 45 -4.453 3.995 7.957 326 HB3 GLU 45 HB1 GLU 45 -3.488 3.996 9.421 327 HG2 GLU 45 HG2 GLU 45 -5.049 6.284 8.279 328 HG3 GLU 45 HG1 GLU 45 -5.433 5.270 9.680 329 H VAL 46 HN VAL 46 -3.442 3.702 5.841 330 HA VAL 46 HA VAL 46 -2.320 1.195 6.194 331 HB VAL 46 HB VAL 46 -3.173 2.476 3.581 332 HG11 VAL 46 HG11 VAL 46 -1.935 0.440 3.213 333 HG12 VAL 46 HG12 VAL 46 -3.644 0.210 2.831 334 HG13 VAL 46 HG13 VAL 46 -2.983 -0.423 4.339 335 HG21 VAL 46 HG21 VAL 46 -4.944 2.630 5.208 336 HG22 VAL 46 HG22 VAL 46 -4.789 0.910 5.573 337 HG23 VAL 46 HG23 VAL 46 -5.341 1.430 3.980 338 H VAL 47 HN VAL 47 -1.042 4.050 4.805 339 HA VAL 47 HA VAL 47 1.024 2.779 3.201 340 HB VAL 47 HB VAL 47 0.886 5.690 4.021 341 HG11 VAL 47 HG11 VAL 47 3.064 4.981 3.227 342 HG12 VAL 47 HG12 VAL 47 2.295 6.041 2.044 343 HG13 VAL 47 HG13 VAL 47 2.334 4.298 1.775 344 HG21 VAL 47 HG21 VAL 47 -0.129 6.101 1.841 345 HG22 VAL 47 HG22 VAL 47 -1.145 5.072 2.849 346 HG23 VAL 47 HG23 VAL 47 -0.189 4.363 1.546 347 H VAL 48 HN VAL 48 0.898 4.804 6.096 348 HA VAL 48 HA VAL 48 3.624 4.472 6.732 349 HB VAL 48 HB VAL 48 1.381 5.156 8.664 350 HG11 VAL 48 HG11 VAL 48 4.323 5.811 8.750 351 HG12 VAL 48 HG12 VAL 48 3.485 4.639 9.766 352 HG13 VAL 48 HG13 VAL 48 3.113 6.356 9.912 353 HG21 VAL 48 HG21 VAL 48 1.269 6.647 6.745 354 HG22 VAL 48 HG22 VAL 48 2.984 7.021 6.916 355 HG23 VAL 48 HG23 VAL 48 1.844 7.514 8.169 356 H ALA 49 HN ALA 49 0.831 2.483 7.152 357 HA ALA 49 HA ALA 49 2.005 0.952 9.171 358 HB1 ALA 49 HB1 ALA 49 -0.376 0.336 7.428 359 HB2 ALA 49 HB2 ALA 49 -0.410 1.065 9.033 360 HB3 ALA 49 HB3 ALA 49 0.113 -0.608 8.835 361 H ALA 50 HN ALA 50 1.617 0.860 5.708 362 HA ALA 50 HA ALA 50 2.666 -1.676 5.207 363 HB1 ALA 50 HB1 ALA 50 1.355 -0.412 3.478 364 HB2 ALA 50 HB2 ALA 50 2.890 -0.923 2.841 365 HB3 ALA 50 HB3 ALA 50 2.666 0.739 3.331 366 H GLU 51 HN GLU 51 4.261 1.517 5.050 367 HA GLU 51 HA GLU 51 6.694 0.269 4.460 368 HB2 GLU 51 HB2 GLU 51 7.784 2.488 4.822 369 HB3 GLU 51 HB1 GLU 51 6.556 2.410 3.604 370 HG2 GLU 51 HG2 GLU 51 6.103 4.337 4.521 371 HG3 GLU 51 HG1 GLU 51 4.971 3.331 5.429 372 H GLU 52 HN GLU 52 5.418 1.200 7.511 373 HA GLU 52 HA GLU 52 7.767 0.673 8.996 374 HB2 GLU 52 HB2 GLU 52 4.883 0.927 9.633 375 HB3 GLU 52 HB1 GLU 52 5.941 0.214 10.839 376 HG2 GLU 52 HG2 GLU 52 6.399 2.892 9.564 377 HG3 GLU 52 HG1 GLU 52 5.538 2.656 11.089 378 H ARG 53 HN ARG 53 5.391 -1.366 7.597 379 HA ARG 53 HA ARG 53 6.157 -3.641 9.212 380 HB2 ARG 53 HB2 ARG 53 3.801 -3.277 8.473 381 HB3 ARG 53 HB1 ARG 53 4.324 -3.503 6.815 382 HG2 ARG 53 HG2 ARG 53 4.985 -5.792 7.325 383 HG3 ARG 53 HG1 ARG 53 4.471 -5.569 9.000 384 HD2 ARG 53 HD2 ARG 53 2.145 -5.104 8.157 385 HD3 ARG 53 HD1 ARG 53 2.740 -5.416 6.542 386 HE ARG 53 HE ARG 53 3.414 -7.659 7.673 387 HH11 ARG 53 HH11 ARG 53 0.431 -5.881 8.352 388 HH12 ARG 53 HH12 ARG 53 -0.576 -7.255 8.280 389 HH21 ARG 53 HH21 ARG 53 2.090 -9.508 7.593 390 HH22 ARG 53 HH22 ARG 53 0.398 -9.422 7.750 391 H PHE 54 HN PHE 54 6.608 -2.438 5.922 392 HA PHE 54 HA PHE 54 7.973 -4.921 5.190 393 HB2 PHE 54 HB2 PHE 54 7.383 -2.624 3.336 394 HB3 PHE 54 HB1 PHE 54 7.779 -4.295 2.922 395 HD1 PHE 54 HD2 PHE 54 6.154 -5.813 4.721 396 HD2 PHE 54 HD1 PHE 54 5.276 -2.275 2.589 397 HE1 PHE 54 HE2 PHE 54 3.803 -6.338 4.863 398 HE2 PHE 54 HE1 PHE 54 2.911 -2.779 2.707 399 HZ PHE 54 HZ PHE 54 2.139 -4.811 3.848 400 H ASP 55 HN ASP 55 8.838 -2.098 6.420 401 HA ASP 55 HA ASP 55 10.916 -1.350 7.104 402 HB2 ASP 55 HB2 ASP 55 12.190 -3.340 5.202 403 HB3 ASP 55 HB1 ASP 55 13.050 -2.320 6.330 404 H VAL 56 HN VAL 56 9.511 -0.716 4.326 405 HA VAL 56 HA VAL 56 11.704 0.818 3.222 406 HB VAL 56 HB VAL 56 10.012 -0.414 1.813 407 HG11 VAL 56 HG11 VAL 56 8.064 -0.067 3.108 408 HG12 VAL 56 HG12 VAL 56 7.825 0.542 1.471 409 HG13 VAL 56 HG13 VAL 56 8.122 1.667 2.797 410 HG21 VAL 56 HG21 VAL 56 10.005 2.546 1.307 411 HG22 VAL 56 HG22 VAL 56 9.692 1.220 0.162 412 HG23 VAL 56 HG23 VAL 56 11.290 1.405 0.871 413 H LYS 57 HN LYS 57 10.934 3.279 2.704 414 HA LYS 57 HA LYS 57 9.211 4.245 4.836 415 HB2 LYS 57 HB2 LYS 57 11.668 4.753 5.310 416 HB3 LYS 57 HB1 LYS 57 11.642 5.732 3.840 417 HG2 LYS 57 HG2 LYS 57 11.334 7.111 5.838 418 HG3 LYS 57 HG1 LYS 57 9.920 7.163 4.779 419 HD2 LYS 57 HD2 LYS 57 8.881 5.392 6.203 420 HD3 LYS 57 HD1 LYS 57 10.244 5.556 7.311 421 HE2 LYS 57 HE2 LYS 57 9.654 7.871 7.723 422 HE3 LYS 57 HE1 LYS 57 8.357 7.754 6.523 423 HZ1 LYS 57 HZ1 LYS 57 7.444 7.532 8.723 424 HZ2 LYS 57 HZ2 LYS 57 8.461 6.241 9.103 425 HZ3 LYS 57 HZ3 LYS 57 7.299 6.079 7.887 426 H ILE 58 HN ILE 58 7.664 5.564 4.078 427 HA ILE 58 HA ILE 58 7.909 6.419 1.290 428 HB ILE 58 HB ILE 58 5.376 5.422 2.651 429 HG12 ILE 58 HG12 ILE 58 7.025 4.091 0.482 430 HG13 ILE 58 HG11 ILE 58 7.026 3.615 2.174 431 HG21 ILE 58 HG21 ILE 58 4.957 7.137 0.959 432 HG22 ILE 58 HG22 ILE 58 4.394 5.561 0.401 433 HG23 ILE 58 HG23 ILE 58 5.907 6.226 -0.215 434 HD11 ILE 58 HD11 ILE 58 4.659 3.038 1.997 435 HD12 ILE 58 HD12 ILE 58 5.653 2.142 0.850 436 HD13 ILE 58 HD13 ILE 58 4.676 3.505 0.295 437 HA PRO 59 HA PRO 59 7.123 10.345 3.454 438 HB2 PRO 59 HB2 PRO 59 7.539 11.869 1.285 439 HB3 PRO 59 HB1 PRO 59 8.900 11.153 2.177 440 HG2 PRO 59 HG2 PRO 59 7.499 10.168 -0.284 441 HG3 PRO 59 HG1 PRO 59 9.254 10.373 -0.027 442 HD2 PRO 59 HD2 PRO 59 8.111 7.976 0.218 443 HD3 PRO 59 HD1 PRO 59 9.364 8.500 1.365 444 H ASP 60 HN ASP 60 5.515 12.104 3.041 445 HA ASP 60 HA ASP 60 3.074 10.974 2.197 446 HB2 ASP 60 HB2 ASP 60 1.952 13.080 2.623 447 HB3 ASP 60 HB1 ASP 60 3.099 12.763 3.911 448 H ASP 61 HN ASP 61 5.378 12.903 0.465 449 HA ASP 61 HA ASP 61 3.684 13.430 -1.751 450 HB2 ASP 61 HB2 ASP 61 6.701 13.310 -1.596 451 HB3 ASP 61 HB1 ASP 61 5.850 13.661 -3.093 452 H ASP 62 HN ASP 62 5.555 10.649 -0.855 453 HA ASP 62 HA ASP 62 4.931 9.408 -3.383 454 HB2 ASP 62 HB2 ASP 62 6.623 8.484 -1.099 455 HB3 ASP 62 HB1 ASP 62 6.015 7.319 -2.267 456 H VAL 63 HN VAL 63 3.780 9.357 -0.160 457 HA VAL 63 HA VAL 63 2.073 7.157 -0.214 458 HB VAL 63 HB VAL 63 1.571 9.941 0.960 459 HG11 VAL 63 HG11 VAL 63 0.139 7.380 1.602 460 HG12 VAL 63 HG12 VAL 63 -0.535 8.762 0.743 461 HG13 VAL 63 HG13 VAL 63 -0.071 8.919 2.437 462 HG21 VAL 63 HG21 VAL 63 2.581 7.431 2.275 463 HG22 VAL 63 HG22 VAL 63 2.230 8.953 3.095 464 HG23 VAL 63 HG23 VAL 63 3.529 8.871 1.902 465 H LYS 64 HN LYS 64 1.549 10.427 -1.386 466 HA LYS 64 HA LYS 64 -0.999 9.814 -2.607 467 HB2 LYS 64 HB2 LYS 64 -0.921 12.162 -3.372 468 HB3 LYS 64 HB1 LYS 64 -0.678 11.993 -1.638 469 HG2 LYS 64 HG2 LYS 64 1.783 12.147 -2.073 470 HG3 LYS 64 HG1 LYS 64 1.394 12.561 -3.735 471 HD2 LYS 64 HD2 LYS 64 1.821 14.531 -2.388 472 HD3 LYS 64 HD1 LYS 64 0.140 14.521 -2.958 473 HE2 LYS 64 HE2 LYS 64 -0.525 13.626 -0.737 474 HE3 LYS 64 HE1 LYS 64 1.154 13.750 -0.215 475 HZ1 LYS 64 HZ1 LYS 64 -0.072 15.649 0.537 476 HZ2 LYS 64 HZ2 LYS 64 -0.604 15.991 -1.043 477 HZ3 LYS 64 HZ3 LYS 64 1.029 16.150 -0.642 478 H ASN 65 HN ASN 65 2.011 9.091 -3.474 479 HA ASN 65 HA ASN 65 1.825 9.594 -6.352 480 HB2 ASN 65 HB2 ASN 65 4.004 9.959 -5.157 481 HB3 ASN 65 HB1 ASN 65 3.940 8.296 -4.652 482 HD21 ASN 65 HD21 ASN 65 5.982 8.028 -5.561 483 HD22 ASN 65 HD22 ASN 65 6.169 7.726 -7.248 484 H LEU 66 HN LEU 66 1.551 7.141 -3.933 485 HA LEU 66 HA LEU 66 1.504 4.972 -5.834 486 HB2 LEU 66 HB2 LEU 66 0.754 4.901 -2.906 487 HB3 LEU 66 HB1 LEU 66 1.234 3.556 -3.916 488 HG LEU 66 HG LEU 66 2.994 5.737 -2.804 489 HD11 LEU 66 HD11 LEU 66 2.478 4.071 -1.209 490 HD12 LEU 66 HD12 LEU 66 4.162 3.876 -1.726 491 HD13 LEU 66 HD13 LEU 66 2.929 2.779 -2.315 492 HD21 LEU 66 HD21 LEU 66 3.761 3.518 -4.711 493 HD22 LEU 66 HD22 LEU 66 4.883 4.614 -3.906 494 HD23 LEU 66 HD23 LEU 66 3.730 5.240 -5.086 495 H LYS 67 HN LYS 67 -0.350 4.792 -7.002 496 HA LYS 67 HA LYS 67 -2.774 5.494 -5.551 497 HB2 LYS 67 HB2 LYS 67 -4.014 5.871 -7.587 498 HB3 LYS 67 HB1 LYS 67 -2.575 6.876 -7.604 499 HG2 LYS 67 HG2 LYS 67 -3.013 4.327 -9.179 500 HG3 LYS 67 HG1 LYS 67 -3.253 5.952 -9.799 501 HD2 LYS 67 HD2 LYS 67 -0.654 4.696 -8.923 502 HD3 LYS 67 HD1 LYS 67 -1.159 5.061 -10.565 503 HE2 LYS 67 HE2 LYS 67 -1.145 7.442 -10.053 504 HE3 LYS 67 HE1 LYS 67 -0.657 7.086 -8.392 505 HZ1 LYS 67 HZ1 LYS 67 1.302 7.633 -9.590 506 HZ2 LYS 67 HZ2 LYS 67 0.893 6.651 -10.877 507 HZ3 LYS 67 HZ3 LYS 67 1.338 5.941 -9.419 508 H THR 68 HN THR 68 -1.150 2.862 -7.021 509 HA THR 68 HA THR 68 -3.361 1.129 -6.172 510 HB THR 68 HB THR 68 -2.861 -0.326 -7.920 511 HG1 THR 68 HG1 THR 68 -0.778 1.446 -8.763 512 HG21 THR 68 HG21 THR 68 -3.267 1.021 -9.994 513 HG22 THR 68 HG22 THR 68 -2.963 2.488 -9.042 514 HG23 THR 68 HG23 THR 68 -4.325 1.453 -8.651 515 H VAL 69 HN VAL 69 -2.596 -0.918 -5.674 516 HA VAL 69 HA VAL 69 -0.303 -0.807 -4.026 517 HB VAL 69 HB VAL 69 -2.010 -2.126 -3.194 518 HG11 VAL 69 HG11 VAL 69 -2.068 -3.565 -5.782 519 HG12 VAL 69 HG12 VAL 69 -3.236 -2.422 -5.111 520 HG13 VAL 69 HG13 VAL 69 -3.017 -4.011 -4.344 521 HG21 VAL 69 HG21 VAL 69 -0.078 -4.133 -4.298 522 HG22 VAL 69 HG22 VAL 69 -1.131 -4.390 -2.898 523 HG23 VAL 69 HG23 VAL 69 0.177 -3.202 -2.820 524 H GLY 70 HN GLY 70 -0.751 -1.334 -7.231 525 HA2 GLY 70 HA2 GLY 70 1.547 -2.961 -7.732 526 HA3 GLY 70 HA1 GLY 70 0.732 -1.892 -8.896 527 H ASP 71 HN ASP 71 0.874 0.500 -7.784 528 HA ASP 71 HA ASP 71 3.450 1.542 -8.148 529 HB2 ASP 71 HB2 ASP 71 1.230 2.587 -6.383 530 HB3 ASP 71 HB1 ASP 71 2.661 3.489 -6.806 531 H ALA 72 HN ALA 72 1.631 0.960 -5.200 532 HA ALA 72 HA ALA 72 3.413 1.779 -3.272 533 HB1 ALA 72 HB1 ALA 72 1.569 -0.583 -3.059 534 HB2 ALA 72 HB2 ALA 72 1.071 1.100 -2.827 535 HB3 ALA 72 HB3 ALA 72 2.234 0.342 -1.729 536 H THR 73 HN THR 73 2.874 -1.531 -4.160 537 HA THR 73 HA THR 73 4.906 -2.568 -2.689 538 HB THR 73 HB THR 73 3.760 -3.700 -5.233 539 HG1 THR 73 HG1 THR 73 2.043 -3.530 -4.030 540 HG21 THR 73 HG21 THR 73 4.301 -5.830 -4.169 541 HG22 THR 73 HG22 THR 73 4.979 -4.893 -2.806 542 HG23 THR 73 HG23 THR 73 5.744 -4.803 -4.393 543 H LYS 74 HN LYS 74 5.043 -1.534 -6.073 544 HA LYS 74 HA LYS 74 7.601 -2.531 -6.665 545 HB2 LYS 74 HB2 LYS 74 5.640 -0.696 -7.737 546 HB3 LYS 74 HB1 LYS 74 7.301 -0.430 -8.277 547 HG2 LYS 74 HG2 LYS 74 6.041 -1.795 -9.912 548 HG3 LYS 74 HG1 LYS 74 7.397 -2.656 -9.192 549 HD2 LYS 74 HD2 LYS 74 4.651 -2.995 -8.035 550 HD3 LYS 74 HD1 LYS 74 5.054 -3.833 -9.526 551 HE2 LYS 74 HE2 LYS 74 6.649 -4.038 -6.970 552 HE3 LYS 74 HE1 LYS 74 5.395 -5.181 -7.450 553 HZ1 LYS 74 HZ1 LYS 74 6.647 -5.680 -9.427 554 HZ2 LYS 74 HZ2 LYS 74 7.545 -6.017 -8.055 555 HZ3 LYS 74 HZ3 LYS 74 7.907 -4.640 -8.983 556 H TYR 75 HN TYR 75 6.319 0.387 -5.310 557 HA TYR 75 HA TYR 75 8.710 1.844 -5.364 558 HB2 TYR 75 HB2 TYR 75 6.426 2.824 -5.142 559 HB3 TYR 75 HB1 TYR 75 6.324 2.090 -3.576 560 HD1 TYR 75 HD1 TYR 75 8.383 4.574 -5.405 561 HD2 TYR 75 HD2 TYR 75 7.090 3.074 -1.654 562 HE1 TYR 75 HE1 TYR 75 9.491 6.444 -4.277 563 HE2 TYR 75 HE2 TYR 75 8.172 4.914 -0.513 564 HH TYR 75 HH TYR 75 9.245 7.671 -2.098 565 H ILE 76 HN ILE 76 6.942 0.141 -2.889 566 HA ILE 76 HA ILE 76 8.487 0.537 -0.663 567 HB ILE 76 HB ILE 76 6.729 -1.771 -1.470 568 HG12 ILE 76 HG12 ILE 76 6.247 0.348 0.580 569 HG13 ILE 76 HG11 ILE 76 5.897 0.602 -1.129 570 HG21 ILE 76 HG21 ILE 76 7.906 -1.206 1.250 571 HG22 ILE 76 HG22 ILE 76 8.298 -2.585 0.223 572 HG23 ILE 76 HG23 ILE 76 6.676 -2.418 0.892 573 HD11 ILE 76 HD11 ILE 76 4.780 -1.585 0.594 574 HD12 ILE 76 HD12 ILE 76 4.481 -1.292 -1.131 575 HD13 ILE 76 HD13 ILE 76 3.918 -0.113 0.065 576 H LEU 77 HN LEU 77 8.512 -2.474 -2.603 577 HA LEU 77 HA LEU 77 10.484 -3.870 -1.403 578 HB2 LEU 77 HB2 LEU 77 8.823 -4.493 -3.161 579 HB3 LEU 77 HB1 LEU 77 9.798 -3.666 -4.332 580 HG LEU 77 HG LEU 77 10.472 -6.246 -2.910 581 HD11 LEU 77 HD11 LEU 77 10.164 -7.135 -5.190 582 HD12 LEU 77 HD12 LEU 77 9.655 -5.498 -5.681 583 HD13 LEU 77 HD13 LEU 77 8.709 -6.393 -4.500 584 HD21 LEU 77 HD21 LEU 77 12.545 -4.983 -3.466 585 HD22 LEU 77 HD22 LEU 77 11.985 -4.836 -5.131 586 HD23 LEU 77 HD23 LEU 77 12.361 -6.425 -4.465 587 H ASP 78 HN ASP 78 10.588 -1.657 -4.049 588 HA ASP 78 HA ASP 78 13.308 -1.981 -4.781 589 HB2 ASP 78 HB2 ASP 78 11.899 -1.418 -6.466 590 HB3 ASP 78 HB1 ASP 78 11.060 -0.143 -5.634 591 H HIS 79 HN HIS 79 11.693 -0.012 -2.522 592 HA HIS 79 HA HIS 79 14.098 1.581 -2.128 593 HB2 HIS 79 HB2 HIS 79 11.245 2.029 -1.419 594 HB3 HIS 79 HB1 HIS 79 12.490 2.800 -0.455 595 HD1 HIS 79 HD1 HIS 79 12.779 5.102 -1.150 596 HD2 HIS 79 HD2 HIS 79 11.902 2.665 -4.402 597 HE1 HIS 79 HE1 HIS 79 12.756 6.625 -3.149 598 HE2 HIS 79 HE2 HIS 79 12.004 5.205 -5.039 599 H GLN 80 HN GLN 80 12.542 -1.166 -0.786 600 HA GLN 80 HA GLN 80 13.340 -0.840 1.974 601 HB2 GLN 80 HB2 GLN 80 13.168 -3.390 0.508 602 HB3 GLN 80 HB1 GLN 80 12.988 -3.142 2.229 603 HG2 GLN 80 HG2 GLN 80 10.830 -2.135 1.874 604 HG3 GLN 80 HG1 GLN 80 11.066 -2.279 0.127 605 HE21 GLN 80 HE21 GLN 80 9.035 -3.403 1.661 606 HE22 GLN 80 HE22 GLN 80 9.112 -5.142 1.541 607 H ALA 81 HN ALA 81 14.263 -2.783 -0.496 608 HA ALA 81 HA ALA 81 17.075 -2.628 0.305 609 HB1 ALA 81 HB1 ALA 81 16.199 -4.818 0.934 610 HB2 ALA 81 HB2 ALA 81 17.407 -4.980 -0.342 611 HB3 ALA 81 HB3 ALA 81 15.692 -5.109 -0.731 612 H1 SYO 101 H1A SYO 101 -3.537 6.230 0.746 613 H1A SYO 101 H1B SYO 101 -1.941 6.979 0.675 614 H2 SYO 101 H2A SYO 101 -1.965 7.019 -1.575 615 H2A SYO 101 H2B SYO 101 -3.738 6.979 -1.757 616 H4 SYO 101 H4A SYO 101 -0.712 5.180 -1.342 617 H4A SYO 101 H4B SYO 101 -1.383 4.049 -2.512 618 H5 SYO 101 H5A SYO 101 -1.869 2.451 -0.869 619 H5A SYO 101 H5B SYO 101 -1.671 3.623 0.440 620 H6 SYO 101 H6A SYO 101 0.700 3.799 -0.080 621 H6A SYO 101 H6B SYO 101 0.506 2.611 -1.369 622 H7 SYO 101 H7A SYO 101 -0.135 0.924 0.216 623 H7A SYO 101 H7B SYO 101 -0.055 2.101 1.546 624 H8 SYO 101 H8C SYO 101 2.326 2.429 1.052 625 H8A SYO 101 H8A SYO 101 2.211 1.250 -0.253 626 H8B SYO 101 H8B SYO 101 1.972 0.740 1.421 627 H28 SYO 101 H28A SYO 101 -7.506 12.422 -1.436 628 H28A SYO 101 H28B SYO 101 -7.587 10.682 -1.544 629 H30 SYO 101 H30A SYO 101 -10.348 12.540 -2.715 630 H30A SYO 101 H30B SYO 101 -9.856 12.759 -4.405 631 H30B SYO 101 H30C SYO 101 -9.044 13.667 -3.104 632 H31 SYO 101 H31A SYO 101 -6.848 12.758 -3.834 633 H31A SYO 101 H31B SYO 101 -7.612 11.808 -5.118 634 H31B SYO 101 H31C SYO 101 -6.625 11.007 -3.893 635 H32 SYO 101 H32A SYO 101 -9.896 9.926 -2.762 636 HO33 SYO 101 H33A SYO 101 -9.594 9.513 -5.258 637 HN36 SYO 101 H36A SYO 101 -7.634 9.477 -1.947 638 H37 SYO 101 H37A SYO 101 -6.099 7.749 -1.616 639 H37A SYO 101 H37B SYO 101 -6.930 6.882 -2.893 640 H38 SYO 101 H38A SYO 101 -4.654 7.224 -3.496 641 H38A SYO 101 H38B SYO 101 -5.682 8.149 -4.619 642 HN41 SYO 101 H41A SYO 101 -4.527 8.720 -1.390 643 H42 SYO 101 H42A SYO 101 -2.699 10.852 -2.123 644 H42A SYO 101 H42B SYO 101 -4.035 11.159 -1.028 645 H43 SYO 101 H43A SYO 101 -2.272 10.586 0.415 646 H43A SYO 101 H43B SYO 101 -1.812 9.277 -0.656 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 10.873 -7.469 5.924 2 H2 ALA 1 HT2 ALA 1 9.772 -6.849 4.791 3 H3 ALA 1 HT3 ALA 1 10.699 -5.804 5.779 4 HA ALA 1 HA ALA 1 11.460 -5.942 3.479 5 HB1 ALA 1 HB1 ALA 1 13.814 -6.139 4.036 6 HB2 ALA 1 HB2 ALA 1 13.411 -6.940 5.553 7 HB3 ALA 1 HB3 ALA 1 12.955 -5.255 5.298 8 H ALA 2 HN ALA 2 11.585 -7.184 1.781 9 HA ALA 2 HA ALA 2 12.990 -9.532 1.475 10 HB1 ALA 2 HB1 ALA 2 11.274 -10.640 2.873 11 HB2 ALA 2 HB2 ALA 2 11.287 -11.273 1.227 12 HB3 ALA 2 HB3 ALA 2 10.034 -10.136 1.725 13 H THR 3 HN THR 3 9.699 -9.031 0.260 14 HA THR 3 HA THR 3 10.496 -7.852 -2.180 15 HB THR 3 HB THR 3 11.416 -10.117 -2.608 16 HG1 THR 3 HG1 THR 3 10.801 -9.698 -4.552 17 HG21 THR 3 HG21 THR 3 9.925 -12.081 -2.741 18 HG22 THR 3 HG22 THR 3 8.588 -11.098 -2.144 19 HG23 THR 3 HG23 THR 3 9.982 -11.416 -1.109 20 H GLN 4 HN GLN 4 8.571 -8.454 -3.744 21 HA GLN 4 HA GLN 4 6.354 -7.021 -2.977 22 HB2 GLN 4 HB2 GLN 4 6.879 -7.408 -5.278 23 HB3 GLN 4 HB1 GLN 4 6.610 -9.128 -5.099 24 HG2 GLN 4 HG2 GLN 4 4.358 -7.373 -4.452 25 HG3 GLN 4 HG1 GLN 4 4.824 -7.400 -6.130 26 HE21 GLN 4 HE21 GLN 4 3.245 -9.069 -3.536 27 HE22 GLN 4 HE22 GLN 4 2.697 -10.399 -4.474 28 H GLU 5 HN GLU 5 6.599 -10.558 -2.977 29 HA GLU 5 HA GLU 5 3.991 -11.060 -2.128 30 HB2 GLU 5 HB2 GLU 5 6.474 -12.664 -1.599 31 HB3 GLU 5 HB1 GLU 5 4.842 -13.233 -1.293 32 HG2 GLU 5 HG2 GLU 5 4.319 -12.977 -3.666 33 HG3 GLU 5 HG1 GLU 5 5.976 -12.447 -3.955 34 H GLU 6 HN GLU 6 6.616 -9.874 -0.331 35 HA GLU 6 HA GLU 6 5.568 -10.532 2.321 36 HB2 GLU 6 HB2 GLU 6 8.007 -10.361 1.448 37 HB3 GLU 6 HB1 GLU 6 7.778 -8.648 1.526 38 HG2 GLU 6 HG2 GLU 6 7.352 -10.297 3.985 39 HG3 GLU 6 HG1 GLU 6 8.970 -9.828 3.481 40 H ILE 7 HN ILE 7 5.599 -7.964 -0.046 41 HA ILE 7 HA ILE 7 4.824 -5.910 1.788 42 HB ILE 7 HB ILE 7 4.981 -6.053 -1.226 43 HG12 ILE 7 HG12 ILE 7 6.858 -4.755 0.720 44 HG13 ILE 7 HG11 ILE 7 7.058 -6.415 0.171 45 HG21 ILE 7 HG21 ILE 7 4.940 -3.601 -1.109 46 HG22 ILE 7 HG22 ILE 7 4.713 -3.684 0.637 47 HG23 ILE 7 HG23 ILE 7 3.457 -4.287 -0.445 48 HD11 ILE 7 HD11 ILE 7 7.240 -5.605 -2.129 49 HD12 ILE 7 HD12 ILE 7 8.457 -4.873 -1.084 50 HD13 ILE 7 HD13 ILE 7 7.032 -3.953 -1.563 51 H VAL 8 HN VAL 8 3.418 -7.269 -1.123 52 HA VAL 8 HA VAL 8 0.849 -6.165 -0.764 53 HB VAL 8 HB VAL 8 1.502 -8.675 -2.328 54 HG11 VAL 8 HG11 VAL 8 -0.895 -8.404 -1.964 55 HG12 VAL 8 HG12 VAL 8 -0.478 -8.127 -3.655 56 HG13 VAL 8 HG13 VAL 8 -0.814 -6.759 -2.593 57 HG21 VAL 8 HG21 VAL 8 1.685 -7.181 -4.251 58 HG22 VAL 8 HG22 VAL 8 2.886 -6.831 -3.004 59 HG23 VAL 8 HG23 VAL 8 1.476 -5.797 -3.177 60 H ALA 9 HN ALA 9 1.971 -9.331 0.268 61 HA ALA 9 HA ALA 9 -0.510 -10.207 1.095 62 HB1 ALA 9 HB1 ALA 9 0.668 -11.787 2.544 63 HB2 ALA 9 HB2 ALA 9 2.160 -10.870 2.312 64 HB3 ALA 9 HB3 ALA 9 1.409 -11.691 0.945 65 H GLY 10 HN GLY 10 1.909 -8.172 2.695 66 HA2 GLY 10 HA2 GLY 10 0.593 -8.349 5.167 67 HA3 GLY 10 HA1 GLY 10 2.029 -7.424 4.846 68 H LEU 11 HN LEU 11 0.949 -6.137 2.570 69 HA LEU 11 HA LEU 11 -0.138 -3.835 3.749 70 HB2 LEU 11 HB2 LEU 11 1.086 -4.489 1.384 71 HB3 LEU 11 HB1 LEU 11 -0.567 -4.312 0.874 72 HG LEU 11 HG LEU 11 1.082 -2.159 2.220 73 HD11 LEU 11 HD11 LEU 11 1.814 -2.641 -0.034 74 HD12 LEU 11 HD12 LEU 11 1.006 -1.075 0.051 75 HD13 LEU 11 HD13 LEU 11 0.161 -2.468 -0.626 76 HD21 LEU 11 HD21 LEU 11 -0.778 -0.689 1.676 77 HD22 LEU 11 HD22 LEU 11 -1.282 -1.979 2.772 78 HD23 LEU 11 HD23 LEU 11 -1.689 -2.068 1.058 79 H ALA 12 HN ALA 12 -1.436 -6.556 1.905 80 HA ALA 12 HA ALA 12 -4.094 -5.860 1.639 81 HB1 ALA 12 HB1 ALA 12 -4.551 -8.246 1.627 82 HB2 ALA 12 HB2 ALA 12 -2.946 -8.566 2.277 83 HB3 ALA 12 HB3 ALA 12 -3.120 -7.873 0.661 84 H GLU 13 HN GLU 13 -2.473 -7.533 4.298 85 HA GLU 13 HA GLU 13 -4.688 -7.876 5.942 86 HB2 GLU 13 HB2 GLU 13 -1.819 -7.531 6.775 87 HB3 GLU 13 HB1 GLU 13 -3.097 -8.266 7.739 88 HG2 GLU 13 HG2 GLU 13 -3.367 -9.953 5.925 89 HG3 GLU 13 HG1 GLU 13 -1.972 -9.243 5.157 90 H ILE 14 HN ILE 14 -2.397 -5.286 5.777 91 HA ILE 14 HA ILE 14 -3.330 -3.707 7.924 92 HB ILE 14 HB ILE 14 -2.079 -2.886 5.290 93 HG12 ILE 14 HG12 ILE 14 -0.765 -3.049 7.982 94 HG13 ILE 14 HG11 ILE 14 -0.882 -4.450 6.934 95 HG21 ILE 14 HG21 ILE 14 -1.475 -0.791 6.417 96 HG22 ILE 14 HG22 ILE 14 -2.396 -1.289 7.835 97 HG23 ILE 14 HG23 ILE 14 -3.225 -0.981 6.308 98 HD11 ILE 14 HD11 ILE 14 0.313 -3.288 5.224 99 HD12 ILE 14 HD12 ILE 14 1.245 -3.372 6.720 100 HD13 ILE 14 HD13 ILE 14 0.452 -1.857 6.249 101 H VAL 15 HN VAL 15 -4.412 -3.987 4.601 102 HA VAL 15 HA VAL 15 -6.217 -1.779 4.661 103 HB VAL 15 HB VAL 15 -6.134 -4.136 2.741 104 HG11 VAL 15 HG11 VAL 15 -7.328 -2.678 1.213 105 HG12 VAL 15 HG12 VAL 15 -7.418 -1.438 2.468 106 HG13 VAL 15 HG13 VAL 15 -8.250 -2.979 2.686 107 HG21 VAL 15 HG21 VAL 15 -4.052 -2.920 2.741 108 HG22 VAL 15 HG22 VAL 15 -4.920 -1.400 2.499 109 HG23 VAL 15 HG23 VAL 15 -4.936 -2.641 1.241 110 H ASN 16 HN ASN 16 -6.374 -5.159 5.376 111 HA ASN 16 HA ASN 16 -9.223 -5.458 5.463 112 HB2 ASN 16 HB2 ASN 16 -7.345 -7.040 7.256 113 HB3 ASN 16 HB1 ASN 16 -8.895 -7.510 6.595 114 HD21 ASN 16 HD21 ASN 16 -8.285 -6.619 3.986 115 HD22 ASN 16 HD22 ASN 16 -7.044 -7.681 3.362 116 H GLU 17 HN GLU 17 -6.786 -4.634 7.814 117 HA GLU 17 HA GLU 17 -8.460 -4.541 10.099 118 HB2 GLU 17 HB2 GLU 17 -5.803 -3.206 9.627 119 HB3 GLU 17 HB1 GLU 17 -6.568 -3.485 11.183 120 HG2 GLU 17 HG2 GLU 17 -5.620 -5.608 9.280 121 HG3 GLU 17 HG1 GLU 17 -4.779 -5.073 10.736 122 H ILE 18 HN ILE 18 -6.878 -1.906 8.267 123 HA ILE 18 HA ILE 18 -8.238 0.072 9.745 124 HB ILE 18 HB ILE 18 -6.662 0.416 7.190 125 HG12 ILE 18 HG12 ILE 18 -5.888 0.445 10.110 126 HG13 ILE 18 HG11 ILE 18 -5.361 -0.679 8.886 127 HG21 ILE 18 HG21 ILE 18 -8.115 2.329 7.760 128 HG22 ILE 18 HG22 ILE 18 -6.408 2.727 7.972 129 HG23 ILE 18 HG23 ILE 18 -7.413 2.371 9.378 130 HD11 ILE 18 HD11 ILE 18 -4.778 2.216 8.907 131 HD12 ILE 18 HD12 ILE 18 -4.213 1.045 7.705 132 HD13 ILE 18 HD13 ILE 18 -3.645 0.945 9.392 133 H ALA 19 HN ALA 19 -8.785 -1.334 6.536 134 HA ALA 19 HA ALA 19 -11.052 0.476 6.283 135 HB1 ALA 19 HB1 ALA 19 -9.695 -1.091 4.095 136 HB2 ALA 19 HB2 ALA 19 -9.461 0.622 4.438 137 HB3 ALA 19 HB3 ALA 19 -11.028 0.039 3.881 138 H GLY 20 HN GLY 20 -10.480 -2.658 4.784 139 HA2 GLY 20 HA2 GLY 20 -11.903 -4.444 6.149 140 HA3 GLY 20 HA1 GLY 20 -13.199 -3.456 5.500 141 H ILE 21 HN ILE 21 -10.198 -4.689 4.174 142 HA ILE 21 HA ILE 21 -11.671 -5.716 1.857 143 HB ILE 21 HB ILE 21 -8.945 -4.792 2.365 144 HG12 ILE 21 HG12 ILE 21 -9.118 -3.867 0.071 145 HG13 ILE 21 HG11 ILE 21 -10.660 -4.696 -0.110 146 HG21 ILE 21 HG21 ILE 21 -7.872 -5.916 0.429 147 HG22 ILE 21 HG22 ILE 21 -9.239 -7.036 0.384 148 HG23 ILE 21 HG23 ILE 21 -8.211 -6.964 1.798 149 HD11 ILE 21 HD11 ILE 21 -11.590 -3.319 1.684 150 HD12 ILE 21 HD12 ILE 21 -10.970 -2.342 0.355 151 HD13 ILE 21 HD13 ILE 21 -10.039 -2.491 1.846 152 HA PRO 22 HA PRO 22 -11.106 -9.834 3.335 153 HB2 PRO 22 HB2 PRO 22 -11.320 -10.880 0.685 154 HB3 PRO 22 HB1 PRO 22 -12.555 -10.744 1.999 155 HG2 PRO 22 HG2 PRO 22 -12.709 -9.368 -0.381 156 HG3 PRO 22 HG1 PRO 22 -13.372 -8.792 1.164 157 HD2 PRO 22 HD2 PRO 22 -10.782 -8.142 -0.102 158 HD3 PRO 22 HD1 PRO 22 -11.985 -7.042 0.605 159 H VAL 23 HN VAL 23 -8.592 -8.647 2.734 160 HA VAL 23 HA VAL 23 -6.393 -8.964 2.223 161 HB VAL 23 HB VAL 23 -6.729 -10.380 4.241 162 HG11 VAL 23 HG11 VAL 23 -6.566 -12.804 4.118 163 HG12 VAL 23 HG12 VAL 23 -6.716 -12.712 2.363 164 HG13 VAL 23 HG13 VAL 23 -8.043 -12.172 3.389 165 HG21 VAL 23 HG21 VAL 23 -4.475 -11.264 2.442 166 HG22 VAL 23 HG22 VAL 23 -4.546 -11.521 4.188 167 HG23 VAL 23 HG23 VAL 23 -4.471 -9.883 3.538 168 H GLU 24 HN GLU 24 -8.314 -10.804 0.224 169 HA GLU 24 HA GLU 24 -5.987 -11.601 -1.369 170 HB2 GLU 24 HB2 GLU 24 -7.526 -13.052 -2.588 171 HB3 GLU 24 HB1 GLU 24 -7.575 -13.353 -0.855 172 HG2 GLU 24 HG2 GLU 24 -9.640 -12.068 -0.682 173 HG3 GLU 24 HG1 GLU 24 -9.595 -11.758 -2.418 174 H ASP 25 HN ASP 25 -8.271 -9.161 -1.217 175 HA ASP 25 HA ASP 25 -8.718 -8.848 -4.065 176 HB2 ASP 25 HB2 ASP 25 -10.220 -8.070 -2.059 177 HB3 ASP 25 HB1 ASP 25 -9.188 -6.648 -2.091 178 H VAL 26 HN VAL 26 -6.645 -7.714 -1.638 179 HA VAL 26 HA VAL 26 -5.500 -5.516 -3.104 180 HB VAL 26 HB VAL 26 -4.284 -6.989 -0.736 181 HG11 VAL 26 HG11 VAL 26 -3.757 -4.219 -1.823 182 HG12 VAL 26 HG12 VAL 26 -2.654 -5.595 -1.908 183 HG13 VAL 26 HG13 VAL 26 -3.076 -4.888 -0.340 184 HG21 VAL 26 HG21 VAL 26 -5.226 -5.220 0.658 185 HG22 VAL 26 HG22 VAL 26 -6.480 -6.153 -0.157 186 HG23 VAL 26 HG23 VAL 26 -6.045 -4.552 -0.753 187 H LYS 27 HN LYS 27 -4.834 -6.220 -5.015 188 HA LYS 27 HA LYS 27 -2.579 -8.086 -5.100 189 HB2 LYS 27 HB2 LYS 27 -5.031 -8.744 -6.116 190 HB3 LYS 27 HB1 LYS 27 -4.409 -7.627 -7.339 191 HG2 LYS 27 HG2 LYS 27 -4.019 -9.914 -8.008 192 HG3 LYS 27 HG1 LYS 27 -2.512 -9.030 -7.761 193 HD2 LYS 27 HD2 LYS 27 -2.306 -11.247 -6.814 194 HD3 LYS 27 HD1 LYS 27 -2.328 -10.050 -5.518 195 HE2 LYS 27 HE2 LYS 27 -4.714 -10.521 -5.148 196 HE3 LYS 27 HE1 LYS 27 -4.656 -11.753 -6.407 197 HZ1 LYS 27 HZ1 LYS 27 -3.079 -11.755 -3.900 198 HZ2 LYS 27 HZ2 LYS 27 -3.027 -12.969 -5.091 199 HZ3 LYS 27 HZ3 LYS 27 -4.416 -12.737 -4.194 200 H LEU 28 HN LEU 28 -1.101 -7.279 -6.589 201 HA LEU 28 HA LEU 28 -0.622 -4.556 -6.924 202 HB2 LEU 28 HB2 LEU 28 0.119 -6.735 -8.891 203 HB3 LEU 28 HB1 LEU 28 0.875 -5.164 -8.760 204 HG LEU 28 HG LEU 28 0.962 -7.249 -6.591 205 HD11 LEU 28 HD11 LEU 28 2.040 -8.070 -8.622 206 HD12 LEU 28 HD12 LEU 28 3.222 -7.700 -7.366 207 HD13 LEU 28 HD13 LEU 28 2.994 -6.589 -8.717 208 HD21 LEU 28 HD21 LEU 28 2.762 -5.906 -5.739 209 HD22 LEU 28 HD22 LEU 28 1.306 -4.914 -5.920 210 HD23 LEU 28 HD23 LEU 28 2.613 -4.808 -7.107 211 H ASP 29 HN ASP 29 -0.990 -3.093 -8.481 212 HA ASP 29 HA ASP 29 -1.955 -1.977 -10.179 213 HB2 ASP 29 HB2 ASP 29 -1.476 -3.950 -11.632 214 HB3 ASP 29 HB1 ASP 29 -2.981 -4.678 -11.130 215 H LYS 30 HN LYS 30 -3.315 -3.058 -7.602 216 HA LYS 30 HA LYS 30 -6.038 -2.227 -8.303 217 HB2 LYS 30 HB2 LYS 30 -5.085 -3.376 -5.662 218 HB3 LYS 30 HB1 LYS 30 -6.649 -2.665 -6.109 219 HG2 LYS 30 HG2 LYS 30 -5.573 -5.144 -7.442 220 HG3 LYS 30 HG1 LYS 30 -6.568 -5.194 -5.979 221 HD2 LYS 30 HD2 LYS 30 -8.316 -3.950 -7.162 222 HD3 LYS 30 HD1 LYS 30 -7.345 -3.989 -8.632 223 HE2 LYS 30 HE2 LYS 30 -8.977 -5.715 -8.741 224 HE3 LYS 30 HE1 LYS 30 -7.404 -6.466 -8.520 225 HZ1 LYS 30 HZ1 LYS 30 -8.988 -7.530 -7.123 226 HZ2 LYS 30 HZ2 LYS 30 -9.480 -6.094 -6.383 227 HZ3 LYS 30 HZ3 LYS 30 -7.942 -6.692 -6.116 228 H SER 31 HN SER 31 -6.607 -0.482 -7.859 229 HA SER 31 HA SER 31 -4.873 1.636 -6.902 230 HB2 SER 31 HB2 SER 31 -7.693 1.698 -7.837 231 HB3 SER 31 HB1 SER 31 -6.618 3.096 -7.764 232 HG SER 31 HG SER 31 -6.725 0.911 -9.457 233 H PHE 32 HN PHE 32 -5.720 -0.111 -4.826 234 HA PHE 32 HA PHE 32 -6.818 -0.328 -2.844 235 HB2 PHE 32 HB2 PHE 32 -5.454 2.327 -2.715 236 HB3 PHE 32 HB1 PHE 32 -6.196 1.582 -1.315 237 HD1 PHE 32 HD2 PHE 32 -5.239 -0.536 -0.394 238 HD2 PHE 32 HD1 PHE 32 -3.350 1.642 -3.532 239 HE1 PHE 32 HE2 PHE 32 -3.183 -1.697 0.048 240 HE2 PHE 32 HE1 PHE 32 -1.271 0.471 -3.064 241 HZ PHE 32 HZ PHE 32 -1.172 -1.205 -1.273 242 H THR 33 HN THR 33 -7.327 3.107 -2.692 243 HA THR 33 HA THR 33 -9.831 3.013 -1.641 244 HB THR 33 HB THR 33 -8.274 4.976 -1.658 245 HG1 THR 33 HG1 THR 33 -10.461 5.090 -1.126 246 HG21 THR 33 HG21 THR 33 -7.690 5.004 -4.042 247 HG22 THR 33 HG22 THR 33 -8.378 6.553 -3.559 248 HG23 THR 33 HG23 THR 33 -9.360 5.393 -4.452 249 H ASP 34 HN ASP 34 -8.916 2.872 -5.017 250 HA ASP 34 HA ASP 34 -11.667 3.373 -5.878 251 HB2 ASP 34 HB2 ASP 34 -9.845 4.520 -7.060 252 HB3 ASP 34 HB1 ASP 34 -9.176 2.962 -7.527 253 H ASP 35 HN ASP 35 -9.208 0.885 -6.047 254 HA ASP 35 HA ASP 35 -11.019 -0.867 -7.492 255 HB2 ASP 35 HB2 ASP 35 -8.144 -0.988 -6.813 256 HB3 ASP 35 HB1 ASP 35 -8.966 -2.480 -7.190 257 H LEU 36 HN LEU 36 -9.732 -0.625 -4.257 258 HA LEU 36 HA LEU 36 -10.764 -3.309 -3.601 259 HB2 LEU 36 HB2 LEU 36 -9.368 -1.404 -1.772 260 HB3 LEU 36 HB1 LEU 36 -9.574 -3.132 -1.581 261 HG LEU 36 HG LEU 36 -7.787 -1.683 -3.481 262 HD11 LEU 36 HD11 LEU 36 -6.020 -2.639 -2.075 263 HD12 LEU 36 HD12 LEU 36 -7.293 -3.337 -1.045 264 HD13 LEU 36 HD13 LEU 36 -7.140 -1.592 -1.186 265 HD21 LEU 36 HD21 LEU 36 -8.585 -3.731 -4.470 266 HD22 LEU 36 HD22 LEU 36 -8.115 -4.636 -3.021 267 HD23 LEU 36 HD23 LEU 36 -6.883 -3.850 -4.030 268 H ASP 37 HN ASP 37 -11.128 0.098 -2.990 269 HA ASP 37 HA ASP 37 -12.773 1.335 -2.245 270 HB2 ASP 37 HB2 ASP 37 -14.528 -0.285 -2.867 271 HB3 ASP 37 HB1 ASP 37 -14.133 -1.195 -1.399 272 H VAL 38 HN VAL 38 -10.821 1.518 -1.192 273 HA VAL 38 HA VAL 38 -10.988 1.123 1.741 274 HB VAL 38 HB VAL 38 -8.621 2.103 0.136 275 HG11 VAL 38 HG11 VAL 38 -8.820 1.015 2.936 276 HG12 VAL 38 HG12 VAL 38 -8.553 2.699 2.481 277 HG13 VAL 38 HG13 VAL 38 -7.328 1.483 2.123 278 HG21 VAL 38 HG21 VAL 38 -9.193 -0.702 1.063 279 HG22 VAL 38 HG22 VAL 38 -7.689 -0.140 0.323 280 HG23 VAL 38 HG23 VAL 38 -9.193 -0.127 -0.603 281 H ASP 39 HN ASP 39 -11.579 2.935 2.832 282 HA ASP 39 HA ASP 39 -12.071 5.430 1.614 283 HB2 ASP 39 HB2 ASP 39 -11.585 4.818 4.529 284 HB3 ASP 39 HB1 ASP 39 -12.171 6.363 3.927 285 H SER 40 HN SER 40 -10.672 6.839 0.836 286 HA SER 40 HA SER 40 -8.032 7.259 0.907 287 HB2 SER 40 HB2 SER 40 -9.345 8.630 -0.316 288 HB3 SER 40 HB1 SER 40 -10.186 9.312 1.104 289 H LEU 41 HN LEU 41 -10.067 8.330 3.611 290 HA LEU 41 HA LEU 41 -8.071 9.688 5.028 291 HB2 LEU 41 HB2 LEU 41 -10.332 8.113 6.257 292 HB3 LEU 41 HB1 LEU 41 -9.502 9.491 6.954 293 HG LEU 41 HG LEU 41 -11.224 9.531 4.522 294 HD11 LEU 41 HD11 LEU 41 -11.769 10.509 7.327 295 HD12 LEU 41 HD12 LEU 41 -12.538 9.135 6.532 296 HD13 LEU 41 HD13 LEU 41 -12.830 10.774 5.941 297 HD21 LEU 41 HD21 LEU 41 -9.930 11.788 6.046 298 HD22 LEU 41 HD22 LEU 41 -11.078 11.983 4.717 299 HD23 LEU 41 HD23 LEU 41 -9.509 11.234 4.424 300 H SER 42 HN SER 42 -9.218 6.359 5.185 301 HA SER 42 HA SER 42 -7.549 5.511 7.224 302 HB2 SER 42 HB2 SER 42 -8.925 3.927 5.084 303 HB3 SER 42 HB1 SER 42 -8.478 3.358 6.700 304 HG SER 42 HG SER 42 -10.134 4.400 7.554 305 H MET 43 HN MET 43 -7.329 5.741 3.786 306 HA MET 43 HA MET 43 -5.459 3.895 3.002 307 HB2 MET 43 HB2 MET 43 -6.109 6.609 1.925 308 HB3 MET 43 HB1 MET 43 -4.886 5.594 1.188 309 HG2 MET 43 HG2 MET 43 -7.629 4.513 1.630 310 HG3 MET 43 HG1 MET 43 -7.298 5.633 0.309 311 HE1 MET 43 HE1 MET 43 -4.431 3.197 1.439 312 HE2 MET 43 HE2 MET 43 -4.815 1.738 0.528 313 HE3 MET 43 HE3 MET 43 -5.838 2.231 1.885 314 H VAL 44 HN VAL 44 -4.903 7.184 4.088 315 HA VAL 44 HA VAL 44 -2.168 7.269 3.689 316 HB VAL 44 HB VAL 44 -3.732 8.611 5.922 317 HG11 VAL 44 HG11 VAL 44 -1.932 10.280 5.904 318 HG12 VAL 44 HG12 VAL 44 -1.062 9.329 4.704 319 HG13 VAL 44 HG13 VAL 44 -1.316 8.680 6.325 320 HG21 VAL 44 HG21 VAL 44 -4.646 9.066 3.716 321 HG22 VAL 44 HG22 VAL 44 -3.047 9.559 3.144 322 HG23 VAL 44 HG23 VAL 44 -3.872 10.506 4.381 323 H GLU 45 HN GLU 45 -3.999 6.161 6.527 324 HA GLU 45 HA GLU 45 -1.865 5.521 8.239 325 HB2 GLU 45 HB2 GLU 45 -4.442 3.975 8.031 326 HB3 GLU 45 HB1 GLU 45 -3.402 4.135 9.432 327 HG2 GLU 45 HG2 GLU 45 -5.177 6.213 8.208 328 HG3 GLU 45 HG1 GLU 45 -5.316 5.358 9.755 329 H VAL 46 HN VAL 46 -3.613 3.664 5.829 330 HA VAL 46 HA VAL 46 -2.422 1.163 6.150 331 HB VAL 46 HB VAL 46 -3.603 2.414 3.647 332 HG11 VAL 46 HG11 VAL 46 -3.057 -0.487 4.226 333 HG12 VAL 46 HG12 VAL 46 -2.230 0.518 3.034 334 HG13 VAL 46 HG13 VAL 46 -3.941 0.140 2.835 335 HG21 VAL 46 HG21 VAL 46 -5.614 1.128 4.224 336 HG22 VAL 46 HG22 VAL 46 -5.202 2.324 5.448 337 HG23 VAL 46 HG23 VAL 46 -4.842 0.620 5.727 338 H VAL 47 HN VAL 47 -1.245 3.974 4.650 339 HA VAL 47 HA VAL 47 0.756 2.651 2.957 340 HB VAL 47 HB VAL 47 0.676 5.589 3.700 341 HG11 VAL 47 HG11 VAL 47 1.930 4.140 1.374 342 HG12 VAL 47 HG12 VAL 47 2.777 4.833 2.756 343 HG13 VAL 47 HG13 VAL 47 1.934 5.886 1.621 344 HG21 VAL 47 HG21 VAL 47 -0.616 4.230 1.346 345 HG22 VAL 47 HG22 VAL 47 -0.492 5.972 1.590 346 HG23 VAL 47 HG23 VAL 47 -1.450 4.991 2.701 347 H VAL 48 HN VAL 48 0.681 4.773 5.735 348 HA VAL 48 HA VAL 48 3.378 4.677 6.412 349 HB VAL 48 HB VAL 48 0.987 4.984 8.264 350 HG11 VAL 48 HG11 VAL 48 3.062 4.586 9.461 351 HG12 VAL 48 HG12 VAL 48 2.515 6.247 9.691 352 HG13 VAL 48 HG13 VAL 48 3.837 5.898 8.575 353 HG21 VAL 48 HG21 VAL 48 2.523 7.090 6.742 354 HG22 VAL 48 HG22 VAL 48 1.263 7.402 7.939 355 HG23 VAL 48 HG23 VAL 48 0.866 6.578 6.431 356 H ALA 49 HN ALA 49 0.636 2.548 7.175 357 HA ALA 49 HA ALA 49 2.029 1.134 9.071 358 HB1 ALA 49 HB1 ALA 49 -0.382 1.215 9.128 359 HB2 ALA 49 HB2 ALA 49 0.160 -0.461 9.029 360 HB3 ALA 49 HB3 ALA 49 -0.470 0.351 7.592 361 H ALA 50 HN ALA 50 1.458 0.830 5.652 362 HA ALA 50 HA ALA 50 2.475 -1.717 5.191 363 HB1 ALA 50 HB1 ALA 50 2.815 -0.961 2.847 364 HB2 ALA 50 HB2 ALA 50 2.544 0.703 3.330 365 HB3 ALA 50 HB3 ALA 50 1.241 -0.460 3.432 366 H GLU 51 HN GLU 51 4.115 1.436 4.971 367 HA GLU 51 HA GLU 51 6.542 0.128 4.509 368 HB2 GLU 51 HB2 GLU 51 7.659 2.328 4.786 369 HB3 GLU 51 HB1 GLU 51 6.433 2.244 3.569 370 HG2 GLU 51 HG2 GLU 51 5.863 4.107 4.345 371 HG3 GLU 51 HG1 GLU 51 4.950 3.231 5.578 372 H GLU 52 HN GLU 52 5.128 1.179 7.491 373 HA GLU 52 HA GLU 52 7.424 0.681 9.019 374 HB2 GLU 52 HB2 GLU 52 4.521 0.766 9.742 375 HB3 GLU 52 HB1 GLU 52 5.736 0.369 10.946 376 HG2 GLU 52 HG2 GLU 52 6.860 2.519 10.382 377 HG3 GLU 52 HG1 GLU 52 5.475 2.901 9.361 378 H ARG 53 HN ARG 53 5.154 -1.511 7.616 379 HA ARG 53 HA ARG 53 6.171 -3.681 9.256 380 HB2 ARG 53 HB2 ARG 53 3.798 -3.828 8.713 381 HB3 ARG 53 HB1 ARG 53 4.151 -3.759 6.989 382 HG2 ARG 53 HG2 ARG 53 5.394 -5.872 7.170 383 HG3 ARG 53 HG1 ARG 53 4.985 -5.953 8.873 384 HD2 ARG 53 HD2 ARG 53 2.652 -6.278 8.353 385 HD3 ARG 53 HD1 ARG 53 2.931 -5.927 6.652 386 HE ARG 53 HE ARG 53 4.616 -7.951 7.118 387 HH11 ARG 53 HH11 ARG 53 1.132 -7.689 7.852 388 HH12 ARG 53 HH12 ARG 53 0.794 -9.270 7.312 389 HH21 ARG 53 HH21 ARG 53 4.097 -10.136 6.434 390 HH22 ARG 53 HH22 ARG 53 2.501 -10.710 6.551 391 H PHE 54 HN PHE 54 6.464 -2.528 5.929 392 HA PHE 54 HA PHE 54 7.918 -4.928 5.170 393 HB2 PHE 54 HB2 PHE 54 7.358 -2.564 3.396 394 HB3 PHE 54 HB1 PHE 54 7.800 -4.207 2.916 395 HD1 PHE 54 HD2 PHE 54 6.177 -5.816 4.660 396 HD2 PHE 54 HD1 PHE 54 5.268 -2.245 2.586 397 HE1 PHE 54 HE2 PHE 54 3.838 -6.384 4.747 398 HE2 PHE 54 HE1 PHE 54 2.911 -2.798 2.662 399 HZ PHE 54 HZ PHE 54 2.178 -4.880 3.739 400 H ASP 55 HN ASP 55 8.744 -2.191 6.556 401 HA ASP 55 HA ASP 55 10.791 -1.424 7.276 402 HB2 ASP 55 HB2 ASP 55 12.043 -3.376 5.319 403 HB3 ASP 55 HB1 ASP 55 12.953 -2.329 6.387 404 H VAL 56 HN VAL 56 9.443 -0.866 4.336 405 HA VAL 56 HA VAL 56 11.596 0.782 3.361 406 HB VAL 56 HB VAL 56 9.964 -0.504 1.883 407 HG11 VAL 56 HG11 VAL 56 8.046 1.606 2.735 408 HG12 VAL 56 HG12 VAL 56 7.948 -0.127 3.060 409 HG13 VAL 56 HG13 VAL 56 7.814 0.476 1.405 410 HG21 VAL 56 HG21 VAL 56 9.752 1.120 0.203 411 HG22 VAL 56 HG22 VAL 56 11.322 1.303 1.003 412 HG23 VAL 56 HG23 VAL 56 9.998 2.444 1.347 413 H LYS 57 HN LYS 57 10.796 3.208 2.812 414 HA LYS 57 HA LYS 57 8.945 4.094 4.836 415 HB2 LYS 57 HB2 LYS 57 11.213 4.531 5.727 416 HB3 LYS 57 HB1 LYS 57 11.577 5.448 4.267 417 HG2 LYS 57 HG2 LYS 57 10.467 7.264 4.953 418 HG3 LYS 57 HG1 LYS 57 9.173 6.322 5.696 419 HD2 LYS 57 HD2 LYS 57 11.932 6.613 6.859 420 HD3 LYS 57 HD1 LYS 57 10.559 7.633 7.302 421 HE2 LYS 57 HE2 LYS 57 10.647 4.628 7.555 422 HE3 LYS 57 HE1 LYS 57 10.902 5.759 8.891 423 HZ1 LYS 57 HZ1 LYS 57 8.625 6.601 8.449 424 HZ2 LYS 57 HZ2 LYS 57 8.674 5.007 8.945 425 HZ3 LYS 57 HZ3 LYS 57 8.365 5.347 7.339 426 H ILE 58 HN ILE 58 7.572 5.552 4.169 427 HA ILE 58 HA ILE 58 7.891 6.417 1.386 428 HB ILE 58 HB ILE 58 5.287 5.516 2.673 429 HG12 ILE 58 HG12 ILE 58 6.980 4.086 0.603 430 HG13 ILE 58 HG11 ILE 58 6.908 3.651 2.302 431 HG21 ILE 58 HG21 ILE 58 5.962 6.234 -0.190 432 HG22 ILE 58 HG22 ILE 58 4.999 7.205 0.921 433 HG23 ILE 58 HG23 ILE 58 4.404 5.634 0.382 434 HD11 ILE 58 HD11 ILE 58 5.559 2.181 0.964 435 HD12 ILE 58 HD12 ILE 58 4.629 3.549 0.339 436 HD13 ILE 58 HD13 ILE 58 4.540 3.123 2.053 437 HA PRO 59 HA PRO 59 7.153 10.371 3.559 438 HB2 PRO 59 HB2 PRO 59 7.352 11.839 1.284 439 HB3 PRO 59 HB1 PRO 59 8.787 11.328 2.226 440 HG2 PRO 59 HG2 PRO 59 7.542 10.117 -0.213 441 HG3 PRO 59 HG1 PRO 59 9.271 10.421 0.108 442 HD2 PRO 59 HD2 PRO 59 8.229 7.983 0.397 443 HD3 PRO 59 HD1 PRO 59 9.413 8.594 1.574 444 H ASP 60 HN ASP 60 5.427 11.867 3.418 445 HA ASP 60 HA ASP 60 2.928 10.932 2.564 446 HB2 ASP 60 HB2 ASP 60 2.045 13.087 3.141 447 HB3 ASP 60 HB1 ASP 60 3.366 12.792 4.256 448 H ASP 61 HN ASP 61 5.345 12.759 0.994 449 HA ASP 61 HA ASP 61 4.004 13.714 -1.251 450 HB2 ASP 61 HB2 ASP 61 6.216 14.481 -0.653 451 HB3 ASP 61 HB1 ASP 61 6.881 12.879 -0.948 452 H ASP 62 HN ASP 62 5.729 10.645 -0.769 453 HA ASP 62 HA ASP 62 4.959 9.787 -3.415 454 HB2 ASP 62 HB2 ASP 62 6.586 8.408 -1.290 455 HB3 ASP 62 HB1 ASP 62 6.077 7.590 -2.758 456 H VAL 63 HN VAL 63 3.859 9.362 -0.191 457 HA VAL 63 HA VAL 63 2.161 7.183 -0.387 458 HB VAL 63 HB VAL 63 1.654 9.876 0.973 459 HG11 VAL 63 HG11 VAL 63 0.159 7.292 1.390 460 HG12 VAL 63 HG12 VAL 63 -0.476 8.754 0.635 461 HG13 VAL 63 HG13 VAL 63 -0.035 8.763 2.343 462 HG21 VAL 63 HG21 VAL 63 2.262 8.719 3.032 463 HG22 VAL 63 HG22 VAL 63 3.575 8.688 1.854 464 HG23 VAL 63 HG23 VAL 63 2.584 7.249 2.111 465 H LYS 64 HN LYS 64 1.606 10.529 -1.335 466 HA LYS 64 HA LYS 64 -0.945 9.938 -2.453 467 HB2 LYS 64 HB2 LYS 64 -1.113 12.238 -3.096 468 HB3 LYS 64 HB1 LYS 64 -0.426 12.153 -1.487 469 HG2 LYS 64 HG2 LYS 64 1.809 12.564 -2.455 470 HG3 LYS 64 HG1 LYS 64 1.059 12.725 -4.049 471 HD2 LYS 64 HD2 LYS 64 -0.411 14.534 -3.004 472 HD3 LYS 64 HD1 LYS 64 0.675 14.382 -1.613 473 HE2 LYS 64 HE2 LYS 64 1.663 15.064 -4.366 474 HE3 LYS 64 HE1 LYS 64 1.188 16.278 -3.182 475 HZ1 LYS 64 HZ1 LYS 64 3.456 16.063 -2.949 476 HZ2 LYS 64 HZ2 LYS 64 3.483 14.399 -3.042 477 HZ3 LYS 64 HZ3 LYS 64 2.829 15.178 -1.665 478 H ASN 65 HN ASN 65 2.011 9.126 -3.696 479 HA ASN 65 HA ASN 65 1.294 9.632 -6.479 480 HB2 ASN 65 HB2 ASN 65 3.761 8.707 -5.096 481 HB3 ASN 65 HB1 ASN 65 3.547 8.516 -6.806 482 HD21 ASN 65 HD21 ASN 65 2.296 11.308 -5.177 483 HD22 ASN 65 HD22 ASN 65 3.446 12.448 -5.784 484 H LEU 66 HN LEU 66 1.519 7.179 -4.042 485 HA LEU 66 HA LEU 66 1.465 5.025 -5.902 486 HB2 LEU 66 HB2 LEU 66 0.826 5.003 -2.938 487 HB3 LEU 66 HB1 LEU 66 1.219 3.625 -3.938 488 HG LEU 66 HG LEU 66 3.082 5.782 -2.958 489 HD11 LEU 66 HD11 LEU 66 2.599 4.101 -1.307 490 HD12 LEU 66 HD12 LEU 66 4.256 3.879 -1.889 491 HD13 LEU 66 HD13 LEU 66 2.985 2.814 -2.442 492 HD21 LEU 66 HD21 LEU 66 3.688 3.520 -4.870 493 HD22 LEU 66 HD22 LEU 66 4.880 4.598 -4.144 494 HD23 LEU 66 HD23 LEU 66 3.679 5.239 -5.268 495 H LYS 67 HN LYS 67 -0.332 4.590 -6.892 496 HA LYS 67 HA LYS 67 -2.772 5.213 -5.451 497 HB2 LYS 67 HB2 LYS 67 -4.054 5.238 -7.633 498 HB3 LYS 67 HB1 LYS 67 -2.974 6.584 -7.376 499 HG2 LYS 67 HG2 LYS 67 -2.252 4.211 -9.096 500 HG3 LYS 67 HG1 LYS 67 -3.124 5.610 -9.719 501 HD2 LYS 67 HD2 LYS 67 -1.238 7.052 -8.994 502 HD3 LYS 67 HD1 LYS 67 -0.360 5.615 -8.482 503 HE2 LYS 67 HE2 LYS 67 -1.245 6.285 -11.285 504 HE3 LYS 67 HE1 LYS 67 0.401 6.321 -10.657 505 HZ1 LYS 67 HZ1 LYS 67 0.095 3.869 -10.204 506 HZ2 LYS 67 HZ2 LYS 67 0.210 4.324 -11.811 507 HZ3 LYS 67 HZ3 LYS 67 -1.298 3.941 -11.176 508 H THR 68 HN THR 68 -1.120 2.707 -7.242 509 HA THR 68 HA THR 68 -3.224 0.928 -6.286 510 HB THR 68 HB THR 68 -2.563 -0.621 -7.929 511 HG1 THR 68 HG1 THR 68 -0.618 1.192 -8.915 512 HG21 THR 68 HG21 THR 68 -4.053 1.098 -8.804 513 HG22 THR 68 HG22 THR 68 -2.929 0.594 -10.070 514 HG23 THR 68 HG23 THR 68 -2.677 2.115 -9.214 515 H VAL 69 HN VAL 69 -2.222 -1.252 -5.940 516 HA VAL 69 HA VAL 69 -0.072 -0.873 -4.133 517 HB VAL 69 HB VAL 69 -1.678 -2.185 -3.087 518 HG11 VAL 69 HG11 VAL 69 -3.096 -2.392 -4.961 519 HG12 VAL 69 HG12 VAL 69 -2.939 -3.959 -4.146 520 HG13 VAL 69 HG13 VAL 69 -2.054 -3.632 -5.648 521 HG21 VAL 69 HG21 VAL 69 -0.950 -4.512 -2.925 522 HG22 VAL 69 HG22 VAL 69 0.443 -3.422 -2.933 523 HG23 VAL 69 HG23 VAL 69 0.008 -4.317 -4.391 524 H GLY 70 HN GLY 70 -0.573 -1.547 -7.310 525 HA2 GLY 70 HA2 GLY 70 1.758 -3.207 -7.763 526 HA3 GLY 70 HA1 GLY 70 0.886 -2.295 -9.011 527 H ASP 71 HN ASP 71 0.935 0.165 -7.742 528 HA ASP 71 HA ASP 71 3.402 1.357 -8.318 529 HB2 ASP 71 HB2 ASP 71 0.946 1.991 -6.796 530 HB3 ASP 71 HB1 ASP 71 2.200 3.147 -6.697 531 H ALA 72 HN ALA 72 1.719 0.834 -5.363 532 HA ALA 72 HA ALA 72 3.433 1.816 -3.436 533 HB1 ALA 72 HB1 ALA 72 1.660 -0.580 -3.109 534 HB2 ALA 72 HB2 ALA 72 1.089 1.092 -3.014 535 HB3 ALA 72 HB3 ALA 72 2.253 0.463 -1.836 536 H THR 73 HN THR 73 2.974 -1.549 -4.152 537 HA THR 73 HA THR 73 4.938 -2.476 -2.543 538 HB THR 73 HB THR 73 3.782 -3.679 -5.030 539 HG1 THR 73 HG1 THR 73 2.103 -3.606 -3.860 540 HG21 THR 73 HG21 THR 73 5.756 -4.819 -4.256 541 HG22 THR 73 HG22 THR 73 4.298 -5.792 -3.908 542 HG23 THR 73 HG23 THR 73 5.088 -4.837 -2.629 543 H LYS 74 HN LYS 74 5.156 -1.370 -5.829 544 HA LYS 74 HA LYS 74 7.604 -2.574 -6.413 545 HB2 LYS 74 HB2 LYS 74 6.066 -2.087 -8.149 546 HB3 LYS 74 HB1 LYS 74 5.874 -0.463 -7.538 547 HG2 LYS 74 HG2 LYS 74 8.579 -1.173 -8.454 548 HG3 LYS 74 HG1 LYS 74 7.334 -1.069 -9.702 549 HD2 LYS 74 HD2 LYS 74 7.441 0.990 -7.645 550 HD3 LYS 74 HD1 LYS 74 8.678 1.112 -8.954 551 HE2 LYS 74 HE2 LYS 74 6.533 0.918 -10.447 552 HE3 LYS 74 HE1 LYS 74 5.676 1.324 -8.958 553 HZ1 LYS 74 HZ1 LYS 74 7.124 3.303 -8.792 554 HZ2 LYS 74 HZ2 LYS 74 6.131 3.361 -10.148 555 HZ3 LYS 74 HZ3 LYS 74 7.768 2.922 -10.299 556 H TYR 75 HN TYR 75 6.414 0.543 -5.390 557 HA TYR 75 HA TYR 75 8.793 1.991 -5.209 558 HB2 TYR 75 HB2 TYR 75 6.457 2.893 -5.042 559 HB3 TYR 75 HB1 TYR 75 6.332 2.111 -3.507 560 HD1 TYR 75 HD1 TYR 75 8.273 4.780 -5.196 561 HD2 TYR 75 HD2 TYR 75 7.085 3.019 -1.525 562 HE1 TYR 75 HE1 TYR 75 9.270 6.656 -3.971 563 HE2 TYR 75 HE2 TYR 75 8.056 4.859 -0.296 564 HH TYR 75 HH TYR 75 9.050 7.754 -1.793 565 H ILE 76 HN ILE 76 6.977 0.199 -2.863 566 HA ILE 76 HA ILE 76 8.515 0.481 -0.623 567 HB ILE 76 HB ILE 76 6.670 -1.720 -1.535 568 HG12 ILE 76 HG12 ILE 76 6.306 0.326 0.617 569 HG13 ILE 76 HG11 ILE 76 5.924 0.659 -1.068 570 HG21 ILE 76 HG21 ILE 76 6.611 -2.476 0.803 571 HG22 ILE 76 HG22 ILE 76 7.948 -1.372 1.175 572 HG23 ILE 76 HG23 ILE 76 8.181 -2.707 0.037 573 HD11 ILE 76 HD11 ILE 76 3.957 -0.009 0.193 574 HD12 ILE 76 HD12 ILE 76 4.760 -1.553 0.595 575 HD13 ILE 76 HD13 ILE 76 4.386 -1.144 -1.090 576 H LEU 77 HN LEU 77 8.459 -2.451 -2.734 577 HA LEU 77 HA LEU 77 10.557 -3.787 -1.632 578 HB2 LEU 77 HB2 LEU 77 8.941 -4.660 -3.258 579 HB3 LEU 77 HB1 LEU 77 9.614 -3.649 -4.500 580 HG LEU 77 HG LEU 77 11.075 -6.002 -3.255 581 HD11 LEU 77 HD11 LEU 77 9.474 -5.711 -5.769 582 HD12 LEU 77 HD12 LEU 77 9.029 -6.656 -4.346 583 HD13 LEU 77 HD13 LEU 77 10.428 -7.140 -5.332 584 HD21 LEU 77 HD21 LEU 77 12.484 -5.876 -5.257 585 HD22 LEU 77 HD22 LEU 77 12.555 -4.344 -4.384 586 HD23 LEU 77 HD23 LEU 77 11.566 -4.486 -5.837 587 H ASP 78 HN ASP 78 10.486 -1.292 -4.073 588 HA ASP 78 HA ASP 78 13.116 -1.581 -5.035 589 HB2 ASP 78 HB2 ASP 78 11.708 -0.546 -6.453 590 HB3 ASP 78 HB1 ASP 78 11.020 0.586 -5.327 591 H HIS 79 HN HIS 79 11.773 0.192 -2.428 592 HA HIS 79 HA HIS 79 14.333 1.470 -1.996 593 HB2 HIS 79 HB2 HIS 79 11.586 2.025 -1.044 594 HB3 HIS 79 HB1 HIS 79 12.943 2.650 -0.124 595 HD1 HIS 79 HD1 HIS 79 14.098 4.697 -1.083 596 HD2 HIS 79 HD2 HIS 79 11.241 3.125 -3.647 597 HE1 HIS 79 HE1 HIS 79 13.872 6.366 -2.935 598 HE2 HIS 79 HE2 HIS 79 11.962 5.558 -4.295 599 H GLN 80 HN GLN 80 12.880 -1.368 -0.944 600 HA GLN 80 HA GLN 80 14.450 -1.217 1.531 601 HB2 GLN 80 HB2 GLN 80 13.167 -3.390 2.180 602 HB3 GLN 80 HB1 GLN 80 12.455 -1.814 2.452 603 HG2 GLN 80 HG2 GLN 80 10.761 -2.246 1.087 604 HG3 GLN 80 HG1 GLN 80 11.802 -2.951 -0.153 605 HE21 GLN 80 HE21 GLN 80 9.245 -3.644 0.948 606 HE22 GLN 80 HE22 GLN 80 9.332 -5.287 1.505 607 H ALA 81 HN ALA 81 13.598 -3.700 -0.502 608 HA ALA 81 HA ALA 81 16.292 -4.751 -0.068 609 HB1 ALA 81 HB1 ALA 81 13.832 -6.361 -0.741 610 HB2 ALA 81 HB2 ALA 81 14.572 -6.211 0.853 611 HB3 ALA 81 HB3 ALA 81 15.445 -7.014 -0.455 612 H1 SYO 101 H1A SYO 101 -3.730 5.899 0.422 613 H1A SYO 101 H1B SYO 101 -2.094 6.579 0.318 614 H2 SYO 101 H2A SYO 101 -2.272 6.913 -1.882 615 H2A SYO 101 H2B SYO 101 -4.052 6.797 -1.962 616 H4 SYO 101 H4A SYO 101 -0.902 5.105 -1.614 617 H4A SYO 101 H4B SYO 101 -1.417 3.918 -2.811 618 H5 SYO 101 H5A SYO 101 -2.036 2.367 -1.119 619 H5A SYO 101 H5B SYO 101 -1.836 3.583 0.145 620 H6 SYO 101 H6A SYO 101 0.557 3.701 -0.357 621 H6A SYO 101 H6B SYO 101 0.355 2.460 -1.593 622 H7 SYO 101 H7A SYO 101 -0.339 0.851 0.080 623 H7A SYO 101 H7B SYO 101 -0.253 2.096 1.342 624 H8 SYO 101 H8C SYO 101 1.742 0.688 1.327 625 H8A SYO 101 H8A SYO 101 2.136 2.353 0.894 626 H8B SYO 101 H8B SYO 101 2.033 1.114 -0.359 627 H28 SYO 101 H28A SYO 101 -6.482 12.443 -0.118 628 H28A SYO 101 H28B SYO 101 -7.009 10.918 -0.815 629 H30 SYO 101 H30A SYO 101 -8.017 14.479 -2.808 630 H30A SYO 101 H30B SYO 101 -7.108 14.469 -1.263 631 H30B SYO 101 H30C SYO 101 -8.776 13.888 -1.314 632 H31 SYO 101 H31A SYO 101 -5.750 11.529 -2.911 633 H31A SYO 101 H31B SYO 101 -5.328 13.114 -2.266 634 H31B SYO 101 H31C SYO 101 -6.182 12.981 -3.811 635 H32 SYO 101 H32A SYO 101 -9.345 11.581 -2.302 636 HO33 SYO 101 H33A SYO 101 -8.534 12.038 -4.849 637 HN36 SYO 101 H36A SYO 101 -7.555 10.067 -1.610 638 H37 SYO 101 H37A SYO 101 -6.637 7.967 -1.742 639 H37A SYO 101 H37B SYO 101 -7.792 7.656 -3.049 640 H38 SYO 101 H38A SYO 101 -5.382 7.290 -3.615 641 H38A SYO 101 H38B SYO 101 -6.163 8.459 -4.683 642 HN41 SYO 101 H41A SYO 101 -4.906 8.717 -1.488 643 H42 SYO 101 H42A SYO 101 -2.778 10.614 -2.236 644 H42A SYO 101 H42B SYO 101 -3.941 10.964 -0.986 645 H43 SYO 101 H43A SYO 101 -2.156 10.118 0.238 646 H43A SYO 101 H43B SYO 101 -1.915 8.842 -0.931 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 15.706 -5.672 5.011 2 H2 ALA 1 HT2 ALA 1 14.129 -5.245 5.348 3 H3 ALA 1 HT3 ALA 1 15.255 -4.021 5.050 4 HA ALA 1 HA ALA 1 13.849 -4.294 3.137 5 HB1 ALA 1 HB1 ALA 1 16.467 -5.695 2.611 6 HB2 ALA 1 HB2 ALA 1 16.270 -3.944 2.692 7 HB3 ALA 1 HB3 ALA 1 15.443 -4.869 1.438 8 H ALA 2 HN ALA 2 12.214 -5.323 2.837 9 HA ALA 2 HA ALA 2 12.326 -8.236 2.640 10 HB1 ALA 2 HB1 ALA 2 10.849 -7.426 4.404 11 HB2 ALA 2 HB2 ALA 2 9.910 -8.158 3.101 12 HB3 ALA 2 HB3 ALA 2 10.002 -6.404 3.245 13 H THR 3 HN THR 3 10.356 -8.850 1.142 14 HA THR 3 HA THR 3 10.679 -7.273 -1.309 15 HB THR 3 HB THR 3 12.002 -9.281 -1.461 16 HG1 THR 3 HG1 THR 3 10.344 -10.373 -3.168 17 HG21 THR 3 HG21 THR 3 9.464 -10.797 -0.930 18 HG22 THR 3 HG22 THR 3 10.875 -10.682 0.121 19 HG23 THR 3 HG23 THR 3 10.992 -11.527 -1.423 20 H GLN 4 HN GLN 4 8.992 -8.193 -2.967 21 HA GLN 4 HA GLN 4 6.555 -7.052 -2.359 22 HB2 GLN 4 HB2 GLN 4 7.259 -7.345 -4.633 23 HB3 GLN 4 HB1 GLN 4 7.220 -9.088 -4.480 24 HG2 GLN 4 HG2 GLN 4 4.689 -7.666 -3.986 25 HG3 GLN 4 HG1 GLN 4 5.272 -7.619 -5.633 26 HE21 GLN 4 HE21 GLN 4 3.881 -9.563 -3.122 27 HE22 GLN 4 HE22 GLN 4 3.647 -10.983 -4.075 28 H GLU 5 HN GLU 5 7.418 -10.417 -2.102 29 HA GLU 5 HA GLU 5 5.012 -11.552 -1.521 30 HB2 GLU 5 HB2 GLU 5 7.699 -12.215 -0.293 31 HB3 GLU 5 HB1 GLU 5 6.278 -13.240 -0.180 32 HG2 GLU 5 HG2 GLU 5 7.632 -14.166 -1.879 33 HG3 GLU 5 HG1 GLU 5 6.299 -13.367 -2.695 34 H GLU 6 HN GLU 6 7.221 -10.072 0.812 35 HA GLU 6 HA GLU 6 5.572 -10.206 3.105 36 HB2 GLU 6 HB2 GLU 6 8.059 -9.669 3.126 37 HB3 GLU 6 HB1 GLU 6 7.675 -8.200 2.309 38 HG2 GLU 6 HG2 GLU 6 8.090 -7.675 4.606 39 HG3 GLU 6 HG1 GLU 6 6.407 -7.362 4.219 40 H ILE 7 HN ILE 7 5.823 -7.920 0.423 41 HA ILE 7 HA ILE 7 4.598 -5.752 1.782 42 HB ILE 7 HB ILE 7 5.217 -6.213 -1.131 43 HG12 ILE 7 HG12 ILE 7 6.672 -4.599 0.962 44 HG13 ILE 7 HG11 ILE 7 7.107 -6.240 0.502 45 HG21 ILE 7 HG21 ILE 7 4.987 -3.784 -1.353 46 HG22 ILE 7 HG22 ILE 7 4.481 -3.676 0.333 47 HG23 ILE 7 HG23 ILE 7 3.467 -4.518 -0.840 48 HD11 ILE 7 HD11 ILE 7 8.519 -4.628 -0.585 49 HD12 ILE 7 HD12 ILE 7 7.108 -3.829 -1.284 50 HD13 ILE 7 HD13 ILE 7 7.522 -5.478 -1.768 51 H VAL 8 HN VAL 8 3.504 -7.423 -1.141 52 HA VAL 8 HA VAL 8 0.906 -6.383 -0.952 53 HB VAL 8 HB VAL 8 1.813 -8.871 -2.414 54 HG11 VAL 8 HG11 VAL 8 -0.136 -8.507 -3.870 55 HG12 VAL 8 HG12 VAL 8 -0.644 -7.159 -2.853 56 HG13 VAL 8 HG13 VAL 8 -0.629 -8.799 -2.203 57 HG21 VAL 8 HG21 VAL 8 1.593 -6.019 -3.325 58 HG22 VAL 8 HG22 VAL 8 2.008 -7.393 -4.354 59 HG23 VAL 8 HG23 VAL 8 3.076 -6.913 -3.033 60 H ALA 9 HN ALA 9 2.123 -9.430 0.266 61 HA ALA 9 HA ALA 9 -0.376 -10.421 1.049 62 HB1 ALA 9 HB1 ALA 9 2.315 -10.930 2.306 63 HB2 ALA 9 HB2 ALA 9 1.619 -11.827 0.956 64 HB3 ALA 9 HB3 ALA 9 0.861 -11.898 2.549 65 H GLY 10 HN GLY 10 1.912 -8.219 2.593 66 HA2 GLY 10 HA2 GLY 10 0.530 -8.265 5.063 67 HA3 GLY 10 HA1 GLY 10 1.943 -7.311 4.655 68 H LEU 11 HN LEU 11 0.894 -6.114 2.377 69 HA LEU 11 HA LEU 11 -0.312 -3.867 3.514 70 HB2 LEU 11 HB2 LEU 11 1.012 -4.500 1.219 71 HB3 LEU 11 HB1 LEU 11 -0.620 -4.329 0.627 72 HG LEU 11 HG LEU 11 0.977 -2.211 2.082 73 HD11 LEU 11 HD11 LEU 11 0.965 -1.076 -0.068 74 HD12 LEU 11 HD12 LEU 11 0.137 -2.456 -0.797 75 HD13 LEU 11 HD13 LEU 11 1.774 -2.641 -0.166 76 HD21 LEU 11 HD21 LEU 11 -1.385 -2.037 2.568 77 HD22 LEU 11 HD22 LEU 11 -1.752 -2.123 0.849 78 HD23 LEU 11 HD23 LEU 11 -0.870 -0.733 1.494 79 H ALA 12 HN ALA 12 -1.519 -6.654 1.720 80 HA ALA 12 HA ALA 12 -4.199 -5.912 1.439 81 HB1 ALA 12 HB1 ALA 12 -4.671 -8.303 1.354 82 HB2 ALA 12 HB2 ALA 12 -3.049 -8.660 1.944 83 HB3 ALA 12 HB3 ALA 12 -3.268 -7.902 0.361 84 H GLU 13 HN GLU 13 -2.545 -7.627 4.049 85 HA GLU 13 HA GLU 13 -4.767 -7.995 5.693 86 HB2 GLU 13 HB2 GLU 13 -1.868 -7.807 6.439 87 HB3 GLU 13 HB1 GLU 13 -3.148 -8.385 7.502 88 HG2 GLU 13 HG2 GLU 13 -3.637 -10.172 5.997 89 HG3 GLU 13 HG1 GLU 13 -2.426 -9.593 4.859 90 H ILE 14 HN ILE 14 -2.441 -5.442 5.611 91 HA ILE 14 HA ILE 14 -3.339 -3.912 7.772 92 HB ILE 14 HB ILE 14 -2.193 -3.061 5.108 93 HG12 ILE 14 HG12 ILE 14 -0.821 -3.204 7.778 94 HG13 ILE 14 HG11 ILE 14 -0.929 -4.595 6.717 95 HG21 ILE 14 HG21 ILE 14 -3.361 -1.170 6.156 96 HG22 ILE 14 HG22 ILE 14 -1.611 -0.936 6.203 97 HG23 ILE 14 HG23 ILE 14 -2.470 -1.448 7.654 98 HD11 ILE 14 HD11 ILE 14 0.212 -3.386 4.994 99 HD12 ILE 14 HD12 ILE 14 1.170 -3.499 6.474 100 HD13 ILE 14 HD13 ILE 14 0.361 -1.976 6.054 101 H VAL 15 HN VAL 15 -4.521 -4.084 4.464 102 HA VAL 15 HA VAL 15 -6.396 -1.960 4.721 103 HB VAL 15 HB VAL 15 -6.160 -4.152 2.630 104 HG11 VAL 15 HG11 VAL 15 -7.819 -1.648 2.578 105 HG12 VAL 15 HG12 VAL 15 -8.424 -3.304 2.706 106 HG13 VAL 15 HG13 VAL 15 -7.593 -2.778 1.241 107 HG21 VAL 15 HG21 VAL 15 -4.272 -2.661 2.672 108 HG22 VAL 15 HG22 VAL 15 -5.361 -1.261 2.591 109 HG23 VAL 15 HG23 VAL 15 -5.257 -2.390 1.231 110 H ASN 16 HN ASN 16 -6.388 -5.240 5.561 111 HA ASN 16 HA ASN 16 -9.253 -5.643 5.540 112 HB2 ASN 16 HB2 ASN 16 -7.329 -7.334 7.198 113 HB3 ASN 16 HB1 ASN 16 -8.869 -7.750 6.499 114 HD21 ASN 16 HD21 ASN 16 -8.395 -6.811 3.905 115 HD22 ASN 16 HD22 ASN 16 -7.104 -7.791 3.244 116 H GLU 17 HN GLU 17 -6.719 -4.922 7.809 117 HA GLU 17 HA GLU 17 -8.384 -4.828 10.114 118 HB2 GLU 17 HB2 GLU 17 -5.550 -3.901 9.664 119 HB3 GLU 17 HB1 GLU 17 -6.338 -4.030 11.229 120 HG2 GLU 17 HG2 GLU 17 -6.608 -6.440 10.896 121 HG3 GLU 17 HG1 GLU 17 -5.803 -6.304 9.331 122 H ILE 18 HN ILE 18 -6.927 -2.385 8.010 123 HA ILE 18 HA ILE 18 -7.810 -0.110 9.489 124 HB ILE 18 HB ILE 18 -6.993 -0.450 6.592 125 HG12 ILE 18 HG12 ILE 18 -5.262 -0.782 8.417 126 HG13 ILE 18 HG11 ILE 18 -4.852 0.414 7.199 127 HG21 ILE 18 HG21 ILE 18 -7.514 2.129 8.047 128 HG22 ILE 18 HG22 ILE 18 -8.453 1.464 6.712 129 HG23 ILE 18 HG23 ILE 18 -6.791 1.989 6.445 130 HD11 ILE 18 HD11 ILE 18 -4.221 1.119 9.424 131 HD12 ILE 18 HD12 ILE 18 -5.871 0.879 9.997 132 HD13 ILE 18 HD13 ILE 18 -5.520 2.152 8.828 133 H ALA 19 HN ALA 19 -9.060 -1.653 6.500 134 HA ALA 19 HA ALA 19 -11.479 -0.037 6.864 135 HB1 ALA 19 HB1 ALA 19 -11.868 -0.224 4.464 136 HB2 ALA 19 HB2 ALA 19 -10.434 -1.237 4.299 137 HB3 ALA 19 HB3 ALA 19 -10.269 0.451 4.783 138 H GLY 20 HN GLY 20 -10.798 -3.002 5.101 139 HA2 GLY 20 HA2 GLY 20 -11.933 -4.926 6.557 140 HA3 GLY 20 HA1 GLY 20 -13.352 -4.056 6.001 141 H ILE 21 HN ILE 21 -10.348 -4.742 4.331 142 HA ILE 21 HA ILE 21 -11.891 -5.893 2.183 143 HB ILE 21 HB ILE 21 -9.153 -4.804 2.462 144 HG12 ILE 21 HG12 ILE 21 -9.581 -3.968 0.164 145 HG13 ILE 21 HG11 ILE 21 -11.079 -4.883 0.131 146 HG21 ILE 21 HG21 ILE 21 -8.188 -5.926 0.503 147 HG22 ILE 21 HG22 ILE 21 -9.533 -7.069 0.516 148 HG23 ILE 21 HG23 ILE 21 -8.416 -6.996 1.878 149 HD11 ILE 21 HD11 ILE 21 -11.489 -2.535 0.572 150 HD12 ILE 21 HD12 ILE 21 -10.420 -2.596 1.973 151 HD13 ILE 21 HD13 ILE 21 -11.930 -3.507 1.980 152 HA PRO 22 HA PRO 22 -11.306 -10.107 3.504 153 HB2 PRO 22 HB2 PRO 22 -11.415 -10.791 0.689 154 HB3 PRO 22 HB1 PRO 22 -12.628 -11.174 1.956 155 HG2 PRO 22 HG2 PRO 22 -13.112 -9.424 -0.006 156 HG3 PRO 22 HG1 PRO 22 -13.653 -9.052 1.652 157 HD2 PRO 22 HD2 PRO 22 -11.202 -8.141 0.172 158 HD3 PRO 22 HD1 PRO 22 -12.381 -7.163 1.068 159 H VAL 23 HN VAL 23 -8.767 -8.758 2.668 160 HA VAL 23 HA VAL 23 -6.628 -9.050 1.941 161 HB VAL 23 HB VAL 23 -6.779 -10.505 4.033 162 HG11 VAL 23 HG11 VAL 23 -7.955 -12.406 3.239 163 HG12 VAL 23 HG12 VAL 23 -6.379 -12.900 3.857 164 HG13 VAL 23 HG13 VAL 23 -6.654 -12.797 2.116 165 HG21 VAL 23 HG21 VAL 23 -4.560 -11.130 2.097 166 HG22 VAL 23 HG22 VAL 23 -4.502 -11.418 3.838 167 HG23 VAL 23 HG23 VAL 23 -4.630 -9.771 3.218 168 H GLU 24 HN GLU 24 -8.784 -10.183 0.075 169 HA GLU 24 HA GLU 24 -7.016 -11.705 -1.705 170 HB2 GLU 24 HB2 GLU 24 -9.962 -11.383 -1.480 171 HB3 GLU 24 HB1 GLU 24 -9.224 -12.175 -2.876 172 HG2 GLU 24 HG2 GLU 24 -8.947 -13.031 0.000 173 HG3 GLU 24 HG1 GLU 24 -10.050 -13.748 -1.174 174 H ASP 25 HN ASP 25 -8.740 -8.730 -1.400 175 HA ASP 25 HA ASP 25 -8.829 -8.253 -4.243 176 HB2 ASP 25 HB2 ASP 25 -9.695 -6.543 -1.914 177 HB3 ASP 25 HB1 ASP 25 -9.828 -6.048 -3.599 178 H VAL 26 HN VAL 26 -6.833 -7.441 -1.620 179 HA VAL 26 HA VAL 26 -5.669 -5.135 -2.969 180 HB VAL 26 HB VAL 26 -4.500 -6.532 -0.552 181 HG11 VAL 26 HG11 VAL 26 -2.944 -5.040 -1.664 182 HG12 VAL 26 HG12 VAL 26 -3.453 -4.328 -0.130 183 HG13 VAL 26 HG13 VAL 26 -4.128 -3.743 -1.649 184 HG21 VAL 26 HG21 VAL 26 -6.787 -5.866 -0.064 185 HG22 VAL 26 HG22 VAL 26 -6.441 -4.232 -0.631 186 HG23 VAL 26 HG23 VAL 26 -5.638 -4.856 0.810 187 H LYS 27 HN LYS 27 -5.003 -6.007 -4.892 188 HA LYS 27 HA LYS 27 -2.513 -7.516 -4.677 189 HB2 LYS 27 HB2 LYS 27 -4.648 -7.739 -6.782 190 HB3 LYS 27 HB1 LYS 27 -3.051 -8.452 -6.925 191 HG2 LYS 27 HG2 LYS 27 -3.548 -9.737 -4.833 192 HG3 LYS 27 HG1 LYS 27 -5.196 -9.111 -4.920 193 HD2 LYS 27 HD2 LYS 27 -5.459 -10.114 -7.122 194 HD3 LYS 27 HD1 LYS 27 -3.799 -10.718 -7.027 195 HE2 LYS 27 HE2 LYS 27 -4.433 -11.994 -5.003 196 HE3 LYS 27 HE1 LYS 27 -6.101 -11.465 -5.231 197 HZ1 LYS 27 HZ1 LYS 27 -4.493 -13.027 -7.135 198 HZ2 LYS 27 HZ2 LYS 27 -6.116 -12.586 -7.381 199 HZ3 LYS 27 HZ3 LYS 27 -5.679 -13.683 -6.158 200 H LEU 28 HN LEU 28 -1.271 -7.218 -6.731 201 HA LEU 28 HA LEU 28 -0.597 -4.492 -6.901 202 HB2 LEU 28 HB2 LEU 28 0.193 -6.734 -8.757 203 HB3 LEU 28 HB1 LEU 28 0.883 -5.131 -8.782 204 HG LEU 28 HG LEU 28 1.510 -5.705 -6.302 205 HD11 LEU 28 HD11 LEU 28 0.403 -7.799 -6.086 206 HD12 LEU 28 HD12 LEU 28 2.144 -8.088 -6.099 207 HD13 LEU 28 HD13 LEU 28 1.184 -8.401 -7.545 208 HD21 LEU 28 HD21 LEU 28 3.050 -5.167 -8.045 209 HD22 LEU 28 HD22 LEU 28 2.951 -6.808 -8.695 210 HD23 LEU 28 HD23 LEU 28 3.661 -6.525 -7.099 211 H ASP 29 HN ASP 29 -0.972 -3.018 -8.275 212 HA ASP 29 HA ASP 29 -1.823 -1.782 -9.927 213 HB2 ASP 29 HB2 ASP 29 -1.294 -3.812 -11.364 214 HB3 ASP 29 HB1 ASP 29 -2.975 -4.253 -11.213 215 H LYS 30 HN LYS 30 -3.349 -3.043 -7.550 216 HA LYS 30 HA LYS 30 -5.990 -2.160 -8.428 217 HB2 LYS 30 HB2 LYS 30 -5.256 -3.400 -5.778 218 HB3 LYS 30 HB1 LYS 30 -6.808 -2.781 -6.392 219 HG2 LYS 30 HG2 LYS 30 -5.351 -5.037 -7.740 220 HG3 LYS 30 HG1 LYS 30 -6.489 -5.276 -6.400 221 HD2 LYS 30 HD2 LYS 30 -8.262 -4.244 -7.664 222 HD3 LYS 30 HD1 LYS 30 -7.160 -3.848 -8.980 223 HE2 LYS 30 HE2 LYS 30 -6.814 -6.217 -9.425 224 HE3 LYS 30 HE1 LYS 30 -7.824 -6.642 -8.045 225 HZ1 LYS 30 HZ1 LYS 30 -8.777 -5.187 -10.470 226 HZ2 LYS 30 HZ2 LYS 30 -9.699 -5.616 -9.147 227 HZ3 LYS 30 HZ3 LYS 30 -9.028 -6.833 -10.126 228 H SER 31 HN SER 31 -6.663 -0.467 -7.932 229 HA SER 31 HA SER 31 -5.004 1.664 -6.925 230 HB2 SER 31 HB2 SER 31 -7.806 1.687 -7.912 231 HB3 SER 31 HB1 SER 31 -6.740 3.092 -7.834 232 HG SER 31 HG SER 31 -6.783 0.890 -9.526 233 H PHE 32 HN PHE 32 -5.952 -0.122 -4.838 234 HA PHE 32 HA PHE 32 -6.942 -0.241 -2.805 235 HB2 PHE 32 HB2 PHE 32 -5.662 2.470 -2.835 236 HB3 PHE 32 HB1 PHE 32 -6.349 1.771 -1.387 237 HD1 PHE 32 HD2 PHE 32 -5.335 -0.398 -0.508 238 HD2 PHE 32 HD1 PHE 32 -3.471 1.917 -3.577 239 HE1 PHE 32 HE2 PHE 32 -3.199 -1.534 -0.114 240 HE2 PHE 32 HE1 PHE 32 -1.409 0.795 -3.179 241 HZ PHE 32 HZ PHE 32 -1.218 -0.838 -1.274 242 H THR 33 HN THR 33 -7.604 3.138 -2.771 243 HA THR 33 HA THR 33 -10.219 2.715 -1.803 244 HB THR 33 HB THR 33 -8.888 4.722 -1.216 245 HG1 THR 33 HG1 THR 33 -11.039 4.826 -0.919 246 HG21 THR 33 HG21 THR 33 -8.771 6.610 -2.780 247 HG22 THR 33 HG22 THR 33 -9.507 5.610 -4.033 248 HG23 THR 33 HG23 THR 33 -7.912 5.199 -3.400 249 H ASP 34 HN ASP 34 -8.996 2.999 -4.996 250 HA ASP 34 HA ASP 34 -11.562 3.770 -6.146 251 HB2 ASP 34 HB2 ASP 34 -9.521 4.757 -7.066 252 HB3 ASP 34 HB1 ASP 34 -8.907 3.161 -7.448 253 H ASP 35 HN ASP 35 -9.297 1.077 -6.415 254 HA ASP 35 HA ASP 35 -11.208 -0.460 -7.957 255 HB2 ASP 35 HB2 ASP 35 -8.408 -1.025 -7.075 256 HB3 ASP 35 HB1 ASP 35 -9.416 -2.336 -7.635 257 H LEU 36 HN LEU 36 -9.868 -0.552 -4.729 258 HA LEU 36 HA LEU 36 -11.192 -3.050 -4.181 259 HB2 LEU 36 HB2 LEU 36 -9.802 -1.286 -2.182 260 HB3 LEU 36 HB1 LEU 36 -10.081 -3.015 -2.054 261 HG LEU 36 HG LEU 36 -8.165 -1.557 -3.827 262 HD11 LEU 36 HD11 LEU 36 -7.707 -3.492 -1.575 263 HD12 LEU 36 HD12 LEU 36 -7.431 -1.750 -1.544 264 HD13 LEU 36 HD13 LEU 36 -6.452 -2.775 -2.590 265 HD21 LEU 36 HD21 LEU 36 -8.717 -4.504 -3.717 266 HD22 LEU 36 HD22 LEU 36 -7.418 -3.716 -4.625 267 HD23 LEU 36 HD23 LEU 36 -9.102 -3.402 -5.043 268 H ASP 37 HN ASP 37 -11.191 -0.021 -2.307 269 HA ASP 37 HA ASP 37 -13.775 0.819 -2.202 270 HB2 ASP 37 HB2 ASP 37 -14.533 -1.492 -1.710 271 HB3 ASP 37 HB1 ASP 37 -13.544 -1.508 -0.259 272 H VAL 38 HN VAL 38 -10.875 0.195 -0.658 273 HA VAL 38 HA VAL 38 -11.039 0.808 1.986 274 HB VAL 38 HB VAL 38 -8.794 1.852 0.344 275 HG11 VAL 38 HG11 VAL 38 -8.661 2.209 2.734 276 HG12 VAL 38 HG12 VAL 38 -7.436 1.042 2.236 277 HG13 VAL 38 HG13 VAL 38 -8.909 0.487 3.034 278 HG21 VAL 38 HG21 VAL 38 -7.811 -0.402 0.291 279 HG22 VAL 38 HG22 VAL 38 -9.308 -0.291 -0.636 280 HG23 VAL 38 HG23 VAL 38 -9.310 -1.052 0.956 281 H ASP 39 HN ASP 39 -11.248 2.549 3.214 282 HA ASP 39 HA ASP 39 -12.173 5.019 2.344 283 HB2 ASP 39 HB2 ASP 39 -12.581 4.196 4.553 284 HB3 ASP 39 HB1 ASP 39 -10.860 4.208 4.937 285 H SER 40 HN SER 40 -11.079 6.364 1.125 286 HA SER 40 HA SER 40 -8.541 6.831 0.510 287 HB2 SER 40 HB2 SER 40 -10.143 7.964 -0.594 288 HB3 SER 40 HB1 SER 40 -10.758 8.755 0.884 289 H LEU 41 HN LEU 41 -9.925 8.241 3.553 290 HA LEU 41 HA LEU 41 -7.413 9.601 3.821 291 HB2 LEU 41 HB2 LEU 41 -8.265 10.625 5.879 292 HB3 LEU 41 HB1 LEU 41 -9.359 10.848 4.543 293 HG LEU 41 HG LEU 41 -10.693 8.892 5.587 294 HD11 LEU 41 HD11 LEU 41 -10.471 8.661 8.008 295 HD12 LEU 41 HD12 LEU 41 -9.050 9.704 7.980 296 HD13 LEU 41 HD13 LEU 41 -9.008 8.139 7.172 297 HD21 LEU 41 HD21 LEU 41 -11.460 11.181 5.520 298 HD22 LEU 41 HD22 LEU 41 -10.508 11.562 6.961 299 HD23 LEU 41 HD23 LEU 41 -11.863 10.433 7.065 300 H SER 42 HN SER 42 -8.902 6.776 5.046 301 HA SER 42 HA SER 42 -6.931 6.238 7.033 302 HB2 SER 42 HB2 SER 42 -8.810 4.360 5.632 303 HB3 SER 42 HB1 SER 42 -7.996 4.069 7.167 304 HG SER 42 HG SER 42 -9.974 6.025 6.601 305 H MET 43 HN MET 43 -7.023 6.039 3.670 306 HA MET 43 HA MET 43 -5.338 3.903 3.069 307 HB2 MET 43 HB2 MET 43 -5.748 6.525 1.641 308 HB3 MET 43 HB1 MET 43 -4.766 5.220 0.999 309 HG2 MET 43 HG2 MET 43 -7.606 4.694 1.762 310 HG3 MET 43 HG1 MET 43 -7.195 5.551 0.274 311 HE1 MET 43 HE1 MET 43 -4.521 2.983 1.276 312 HE2 MET 43 HE2 MET 43 -5.207 1.440 0.777 313 HE3 MET 43 HE3 MET 43 -5.861 2.289 2.189 314 H VAL 44 HN VAL 44 -4.698 7.167 4.031 315 HA VAL 44 HA VAL 44 -1.965 7.233 3.622 316 HB VAL 44 HB VAL 44 -3.536 8.569 5.860 317 HG11 VAL 44 HG11 VAL 44 -0.808 9.254 4.757 318 HG12 VAL 44 HG12 VAL 44 -1.140 8.580 6.352 319 HG13 VAL 44 HG13 VAL 44 -1.705 10.201 5.946 320 HG21 VAL 44 HG21 VAL 44 -2.733 9.561 3.131 321 HG22 VAL 44 HG22 VAL 44 -3.574 10.508 4.363 322 HG23 VAL 44 HG23 VAL 44 -4.360 9.098 3.637 323 H GLU 45 HN GLU 45 -3.866 6.118 6.435 324 HA GLU 45 HA GLU 45 -1.802 5.395 8.216 325 HB2 GLU 45 HB2 GLU 45 -4.383 3.877 7.864 326 HB3 GLU 45 HB1 GLU 45 -3.387 3.959 9.303 327 HG2 GLU 45 HG2 GLU 45 -5.092 6.124 8.122 328 HG3 GLU 45 HG1 GLU 45 -5.344 5.182 9.599 329 H VAL 46 HN VAL 46 -3.480 3.636 5.685 330 HA VAL 46 HA VAL 46 -2.346 1.115 5.980 331 HB VAL 46 HB VAL 46 -3.347 2.428 3.433 332 HG11 VAL 46 HG11 VAL 46 -3.026 -0.488 4.086 333 HG12 VAL 46 HG12 VAL 46 -2.049 0.448 2.955 334 HG13 VAL 46 HG13 VAL 46 -3.764 0.173 2.624 335 HG21 VAL 46 HG21 VAL 46 -5.455 1.281 3.902 336 HG22 VAL 46 HG22 VAL 46 -5.045 2.466 5.133 337 HG23 VAL 46 HG23 VAL 46 -4.810 0.743 5.454 338 H VAL 47 HN VAL 47 -1.012 3.959 4.729 339 HA VAL 47 HA VAL 47 1.021 2.713 3.017 340 HB VAL 47 HB VAL 47 0.959 5.572 4.029 341 HG11 VAL 47 HG11 VAL 47 2.368 6.035 2.077 342 HG12 VAL 47 HG12 VAL 47 2.361 4.314 1.681 343 HG13 VAL 47 HG13 VAL 47 3.108 4.871 3.178 344 HG21 VAL 47 HG21 VAL 47 -1.096 5.132 2.826 345 HG22 VAL 47 HG22 VAL 47 -0.180 4.477 1.469 346 HG23 VAL 47 HG23 VAL 47 -0.043 6.187 1.884 347 H VAL 48 HN VAL 48 0.858 4.689 5.850 348 HA VAL 48 HA VAL 48 3.413 4.521 6.848 349 HB VAL 48 HB VAL 48 0.727 4.776 8.240 350 HG11 VAL 48 HG11 VAL 48 3.465 5.398 9.326 351 HG12 VAL 48 HG12 VAL 48 2.405 4.092 9.863 352 HG13 VAL 48 HG13 VAL 48 1.931 5.773 10.113 353 HG21 VAL 48 HG21 VAL 48 2.731 6.845 7.348 354 HG22 VAL 48 HG22 VAL 48 1.250 7.181 8.242 355 HG23 VAL 48 HG23 VAL 48 1.168 6.514 6.610 356 H ALA 49 HN ALA 49 0.658 2.307 7.240 357 HA ALA 49 HA ALA 49 1.932 0.769 9.140 358 HB1 ALA 49 HB1 ALA 49 0.050 -0.796 8.870 359 HB2 ALA 49 HB2 ALA 49 -0.480 0.129 7.466 360 HB3 ALA 49 HB3 ALA 49 -0.476 0.875 9.065 361 H ALA 50 HN ALA 50 1.472 0.674 5.691 362 HA ALA 50 HA ALA 50 2.450 -1.880 5.153 363 HB1 ALA 50 HB1 ALA 50 2.725 -1.054 2.809 364 HB2 ALA 50 HB2 ALA 50 2.458 0.585 3.357 365 HB3 ALA 50 HB3 ALA 50 1.171 -0.586 3.460 366 H GLU 51 HN GLU 51 4.127 1.274 4.920 367 HA GLU 51 HA GLU 51 6.514 -0.048 4.368 368 HB2 GLU 51 HB2 GLU 51 7.632 2.172 4.586 369 HB3 GLU 51 HB1 GLU 51 6.373 2.005 3.431 370 HG2 GLU 51 HG2 GLU 51 6.054 4.124 4.332 371 HG3 GLU 51 HG1 GLU 51 4.763 3.125 4.972 372 H GLU 52 HN GLU 52 5.243 0.996 7.426 373 HA GLU 52 HA GLU 52 7.620 0.504 8.811 374 HB2 GLU 52 HB2 GLU 52 4.776 0.714 9.662 375 HB3 GLU 52 HB1 GLU 52 5.984 0.196 10.838 376 HG2 GLU 52 HG2 GLU 52 7.256 2.284 10.266 377 HG3 GLU 52 HG1 GLU 52 5.874 2.773 9.292 378 H ARG 53 HN ARG 53 5.164 -1.666 7.712 379 HA ARG 53 HA ARG 53 6.266 -3.862 9.233 380 HB2 ARG 53 HB2 ARG 53 3.891 -3.990 8.769 381 HB3 ARG 53 HB1 ARG 53 4.168 -3.809 7.042 382 HG2 ARG 53 HG2 ARG 53 5.353 -5.978 7.027 383 HG3 ARG 53 HG1 ARG 53 4.997 -6.163 8.738 384 HD2 ARG 53 HD2 ARG 53 2.616 -6.325 8.266 385 HD3 ARG 53 HD1 ARG 53 2.882 -5.885 6.596 386 HE ARG 53 HE ARG 53 4.429 -8.066 6.818 387 HH11 ARG 53 HH11 ARG 53 1.012 -7.660 7.832 388 HH12 ARG 53 HH12 ARG 53 0.590 -9.184 7.178 389 HH21 ARG 53 HH21 ARG 53 3.804 -10.035 6.058 390 HH22 ARG 53 HH22 ARG 53 2.199 -10.608 6.167 391 H PHE 54 HN PHE 54 6.567 -2.574 5.983 392 HA PHE 54 HA PHE 54 7.846 -5.019 5.099 393 HB2 PHE 54 HB2 PHE 54 7.444 -2.556 3.422 394 HB3 PHE 54 HB1 PHE 54 7.807 -4.190 2.877 395 HD1 PHE 54 HD2 PHE 54 5.962 -5.582 4.804 396 HD2 PHE 54 HD1 PHE 54 5.441 -2.274 2.227 397 HE1 PHE 54 HE2 PHE 54 3.612 -6.133 4.574 398 HE2 PHE 54 HE1 PHE 54 3.109 -2.802 1.977 399 HZ PHE 54 HZ PHE 54 2.095 -4.556 3.399 400 H ASP 55 HN ASP 55 8.825 -1.998 6.191 401 HA ASP 55 HA ASP 55 10.954 -1.570 7.109 402 HB2 ASP 55 HB2 ASP 55 11.893 -3.831 6.600 403 HB3 ASP 55 HB1 ASP 55 12.185 -3.304 4.946 404 H VAL 56 HN VAL 56 9.648 -0.706 4.269 405 HA VAL 56 HA VAL 56 11.843 1.077 3.511 406 HB VAL 56 HB VAL 56 10.381 -0.058 1.751 407 HG11 VAL 56 HG11 VAL 56 8.275 0.144 2.803 408 HG12 VAL 56 HG12 VAL 56 8.243 0.907 1.215 409 HG13 VAL 56 HG13 VAL 56 8.336 1.899 2.670 410 HG21 VAL 56 HG21 VAL 56 11.747 1.879 1.127 411 HG22 VAL 56 HG22 VAL 56 10.407 2.957 1.551 412 HG23 VAL 56 HG23 VAL 56 10.237 1.808 0.225 413 H LYS 57 HN LYS 57 11.165 3.504 3.124 414 HA LYS 57 HA LYS 57 9.300 4.384 5.218 415 HB2 LYS 57 HB2 LYS 57 11.719 4.827 5.779 416 HB3 LYS 57 HB1 LYS 57 11.852 5.756 4.301 417 HG2 LYS 57 HG2 LYS 57 11.652 7.353 6.011 418 HG3 LYS 57 HG1 LYS 57 10.050 7.281 5.285 419 HD2 LYS 57 HD2 LYS 57 10.846 5.795 7.803 420 HD3 LYS 57 HD1 LYS 57 10.077 7.377 7.801 421 HE2 LYS 57 HE2 LYS 57 8.132 6.457 6.723 422 HE3 LYS 57 HE1 LYS 57 8.920 4.889 6.578 423 HZ1 LYS 57 HZ1 LYS 57 8.071 6.223 9.103 424 HZ2 LYS 57 HZ2 LYS 57 8.980 4.804 9.024 425 HZ3 LYS 57 HZ3 LYS 57 7.426 4.838 8.370 426 H ILE 58 HN ILE 58 7.604 5.406 4.281 427 HA ILE 58 HA ILE 58 8.011 6.430 1.557 428 HB ILE 58 HB ILE 58 5.414 5.454 2.794 429 HG12 ILE 58 HG12 ILE 58 7.213 4.118 0.743 430 HG13 ILE 58 HG11 ILE 58 7.043 3.637 2.421 431 HG21 ILE 58 HG21 ILE 58 4.533 5.603 0.502 432 HG22 ILE 58 HG22 ILE 58 6.075 6.259 -0.047 433 HG23 ILE 58 HG23 ILE 58 5.080 7.178 1.082 434 HD11 ILE 58 HD11 ILE 58 5.804 2.191 0.966 435 HD12 ILE 58 HD12 ILE 58 4.885 3.560 0.332 436 HD13 ILE 58 HD13 ILE 58 4.711 3.080 2.026 437 HA PRO 59 HA PRO 59 7.142 10.421 3.529 438 HB2 PRO 59 HB2 PRO 59 7.683 11.881 1.351 439 HB3 PRO 59 HB1 PRO 59 8.995 11.144 2.302 440 HG2 PRO 59 HG2 PRO 59 7.629 10.124 -0.163 441 HG3 PRO 59 HG1 PRO 59 9.385 10.312 0.111 442 HD2 PRO 59 HD2 PRO 59 8.199 7.950 0.408 443 HD3 PRO 59 HD1 PRO 59 9.440 8.477 1.571 444 H ASP 60 HN ASP 60 5.616 12.174 3.000 445 HA ASP 60 HA ASP 60 3.072 11.249 2.297 446 HB2 ASP 60 HB2 ASP 60 3.507 13.237 3.705 447 HB3 ASP 60 HB1 ASP 60 4.033 14.111 2.274 448 H ASP 61 HN ASP 61 5.465 12.981 0.412 449 HA ASP 61 HA ASP 61 3.907 13.424 -1.885 450 HB2 ASP 61 HB2 ASP 61 6.874 13.199 -1.511 451 HB3 ASP 61 HB1 ASP 61 6.179 13.362 -3.113 452 H ASP 62 HN ASP 62 5.703 10.618 -0.861 453 HA ASP 62 HA ASP 62 5.018 9.430 -3.377 454 HB2 ASP 62 HB2 ASP 62 6.811 8.453 -1.210 455 HB3 ASP 62 HB1 ASP 62 6.236 7.365 -2.473 456 H VAL 63 HN VAL 63 3.828 9.403 -0.192 457 HA VAL 63 HA VAL 63 2.176 7.166 -0.212 458 HB VAL 63 HB VAL 63 1.645 9.981 0.859 459 HG11 VAL 63 HG11 VAL 63 0.175 7.438 1.518 460 HG12 VAL 63 HG12 VAL 63 -0.470 8.804 0.611 461 HG13 VAL 63 HG13 VAL 63 -0.050 8.996 2.313 462 HG21 VAL 63 HG21 VAL 63 2.592 7.488 2.256 463 HG22 VAL 63 HG22 VAL 63 2.238 9.031 3.035 464 HG23 VAL 63 HG23 VAL 63 3.564 8.910 1.877 465 H LYS 64 HN LYS 64 1.722 10.372 -1.550 466 HA LYS 64 HA LYS 64 -0.846 9.823 -2.695 467 HB2 LYS 64 HB2 LYS 64 -0.728 12.055 -3.628 468 HB3 LYS 64 HB1 LYS 64 -0.121 12.096 -1.978 469 HG2 LYS 64 HG2 LYS 64 2.194 11.822 -3.079 470 HG3 LYS 64 HG1 LYS 64 1.375 12.331 -4.547 471 HD2 LYS 64 HD2 LYS 64 1.534 13.865 -1.958 472 HD3 LYS 64 HD1 LYS 64 2.465 14.193 -3.405 473 HE2 LYS 64 HE2 LYS 64 0.357 14.669 -4.616 474 HE3 LYS 64 HE1 LYS 64 -0.532 14.405 -3.113 475 HZ1 LYS 64 HZ1 LYS 64 1.513 16.500 -3.606 476 HZ2 LYS 64 HZ2 LYS 64 0.841 16.169 -2.118 477 HZ3 LYS 64 HZ3 LYS 64 -0.155 16.760 -3.349 478 H ASN 65 HN ASN 65 2.273 8.907 -3.703 479 HA ASN 65 HA ASN 65 1.692 9.022 -6.535 480 HB2 ASN 65 HB2 ASN 65 4.047 8.126 -4.937 481 HB3 ASN 65 HB1 ASN 65 3.924 7.878 -6.655 482 HD21 ASN 65 HD21 ASN 65 5.942 9.447 -5.265 483 HD22 ASN 65 HD22 ASN 65 5.767 11.059 -5.828 484 H LEU 66 HN LEU 66 1.252 7.010 -3.894 485 HA LEU 66 HA LEU 66 1.341 4.641 -5.543 486 HB2 LEU 66 HB2 LEU 66 0.741 4.855 -2.589 487 HB3 LEU 66 HB1 LEU 66 1.119 3.402 -3.487 488 HG LEU 66 HG LEU 66 2.978 5.627 -2.706 489 HD11 LEU 66 HD11 LEU 66 4.221 3.836 -1.563 490 HD12 LEU 66 HD12 LEU 66 2.986 2.690 -2.051 491 HD13 LEU 66 HD13 LEU 66 2.567 4.007 -0.967 492 HD21 LEU 66 HD21 LEU 66 3.574 3.298 -4.527 493 HD22 LEU 66 HD22 LEU 66 4.769 4.417 -3.875 494 HD23 LEU 66 HD23 LEU 66 3.529 5.000 -4.988 495 H LYS 67 HN LYS 67 -0.411 4.374 -6.630 496 HA LYS 67 HA LYS 67 -2.964 5.204 -5.422 497 HB2 LYS 67 HB2 LYS 67 -2.332 4.723 -8.355 498 HB3 LYS 67 HB1 LYS 67 -3.940 5.044 -7.732 499 HG2 LYS 67 HG2 LYS 67 -3.135 7.069 -8.661 500 HG3 LYS 67 HG1 LYS 67 -3.083 7.255 -6.913 501 HD2 LYS 67 HD2 LYS 67 -1.047 8.138 -7.564 502 HD3 LYS 67 HD1 LYS 67 -0.645 6.475 -7.148 503 HE2 LYS 67 HE2 LYS 67 -1.061 7.570 -9.931 504 HE3 LYS 67 HE1 LYS 67 0.477 7.170 -9.194 505 HZ1 LYS 67 HZ1 LYS 67 -0.092 5.466 -10.648 506 HZ2 LYS 67 HZ2 LYS 67 -1.659 5.322 -10.103 507 HZ3 LYS 67 HZ3 LYS 67 -0.376 4.763 -9.144 508 H THR 68 HN THR 68 -1.337 2.708 -7.253 509 HA THR 68 HA THR 68 -3.383 0.858 -6.389 510 HB THR 68 HB THR 68 -2.433 -0.644 -7.995 511 HG1 THR 68 HG1 THR 68 -0.728 1.457 -8.878 512 HG21 THR 68 HG21 THR 68 -2.916 0.576 -10.086 513 HG22 THR 68 HG22 THR 68 -2.853 2.101 -9.200 514 HG23 THR 68 HG23 THR 68 -4.111 0.920 -8.838 515 H VAL 69 HN VAL 69 -2.461 -1.316 -5.727 516 HA VAL 69 HA VAL 69 -0.302 -0.797 -4.001 517 HB VAL 69 HB VAL 69 -1.212 -2.344 -2.767 518 HG11 VAL 69 HG11 VAL 69 -3.257 -1.912 -3.845 519 HG12 VAL 69 HG12 VAL 69 -3.197 -3.647 -3.461 520 HG13 VAL 69 HG13 VAL 69 -2.890 -3.070 -5.111 521 HG21 VAL 69 HG21 VAL 69 -0.608 -4.409 -4.907 522 HG22 VAL 69 HG22 VAL 69 -1.020 -4.780 -3.228 523 HG23 VAL 69 HG23 VAL 69 0.469 -3.910 -3.606 524 H GLY 70 HN GLY 70 -0.677 -1.533 -7.109 525 HA2 GLY 70 HA2 GLY 70 1.698 -3.058 -7.595 526 HA3 GLY 70 HA1 GLY 70 0.839 -2.056 -8.772 527 H ASP 71 HN ASP 71 0.843 0.369 -7.723 528 HA ASP 71 HA ASP 71 3.392 1.508 -8.079 529 HB2 ASP 71 HB2 ASP 71 1.078 2.579 -6.441 530 HB3 ASP 71 HB1 ASP 71 2.510 3.484 -6.866 531 H ALA 72 HN ALA 72 1.525 0.866 -5.154 532 HA ALA 72 HA ALA 72 3.247 1.795 -3.197 533 HB1 ALA 72 HB1 ALA 72 2.125 0.316 -1.671 534 HB2 ALA 72 HB2 ALA 72 1.610 -0.712 -2.966 535 HB3 ALA 72 HB3 ALA 72 0.910 0.914 -2.815 536 H THR 73 HN THR 73 2.890 -1.508 -4.159 537 HA THR 73 HA THR 73 4.878 -2.491 -2.652 538 HB THR 73 HB THR 73 3.957 -3.604 -5.289 539 HG1 THR 73 HG1 THR 73 2.212 -3.463 -4.019 540 HG21 THR 73 HG21 THR 73 5.228 -4.840 -2.896 541 HG22 THR 73 HG22 THR 73 6.012 -4.570 -4.453 542 HG23 THR 73 HG23 THR 73 4.666 -5.737 -4.320 543 H LYS 74 HN LYS 74 5.137 -1.570 -6.095 544 HA LYS 74 HA LYS 74 7.765 -2.307 -6.536 545 HB2 LYS 74 HB2 LYS 74 5.713 -0.612 -7.696 546 HB3 LYS 74 HB1 LYS 74 7.369 -0.252 -8.184 547 HG2 LYS 74 HG2 LYS 74 6.271 -1.738 -9.802 548 HG3 LYS 74 HG1 LYS 74 7.645 -2.500 -9.009 549 HD2 LYS 74 HD2 LYS 74 6.163 -3.790 -7.601 550 HD3 LYS 74 HD1 LYS 74 4.755 -2.936 -8.242 551 HE2 LYS 74 HE2 LYS 74 6.632 -4.615 -9.907 552 HE3 LYS 74 HE1 LYS 74 5.109 -5.199 -9.240 553 HZ1 LYS 74 HZ1 LYS 74 3.911 -3.598 -10.545 554 HZ2 LYS 74 HZ2 LYS 74 4.901 -4.441 -11.585 555 HZ3 LYS 74 HZ3 LYS 74 5.312 -2.877 -11.117 556 H TYR 75 HN TYR 75 6.250 0.562 -5.227 557 HA TYR 75 HA TYR 75 8.581 2.114 -5.226 558 HB2 TYR 75 HB2 TYR 75 6.260 3.027 -4.985 559 HB3 TYR 75 HB1 TYR 75 6.193 2.264 -3.439 560 HD1 TYR 75 HD1 TYR 75 8.502 4.657 -5.150 561 HD2 TYR 75 HD2 TYR 75 6.692 3.361 -1.543 562 HE1 TYR 75 HE1 TYR 75 9.667 6.434 -3.927 563 HE2 TYR 75 HE2 TYR 75 7.815 5.109 -0.322 564 HH TYR 75 HH TYR 75 9.544 7.653 -1.900 565 H ILE 76 HN ILE 76 6.834 0.391 -2.743 566 HA ILE 76 HA ILE 76 8.355 0.786 -0.511 567 HB ILE 76 HB ILE 76 6.761 -1.620 -1.393 568 HG12 ILE 76 HG12 ILE 76 6.059 0.400 0.685 569 HG13 ILE 76 HG11 ILE 76 5.764 0.696 -1.027 570 HG21 ILE 76 HG21 ILE 76 8.313 -2.368 0.304 571 HG22 ILE 76 HG22 ILE 76 6.683 -2.283 0.971 572 HG23 ILE 76 HG23 ILE 76 7.860 -1.024 1.353 573 HD11 ILE 76 HD11 ILE 76 4.712 -1.630 0.563 574 HD12 ILE 76 HD12 ILE 76 4.471 -1.301 -1.155 575 HD13 ILE 76 HD13 ILE 76 3.781 -0.202 0.043 576 H LEU 77 HN LEU 77 8.470 -2.162 -2.519 577 HA LEU 77 HA LEU 77 10.564 -3.506 -1.349 578 HB2 LEU 77 HB2 LEU 77 8.837 -4.144 -3.090 579 HB3 LEU 77 HB1 LEU 77 9.882 -3.409 -4.266 580 HG LEU 77 HG LEU 77 10.388 -5.911 -2.662 581 HD11 LEU 77 HD11 LEU 77 9.913 -5.263 -5.516 582 HD12 LEU 77 HD12 LEU 77 8.806 -6.088 -4.418 583 HD13 LEU 77 HD13 LEU 77 10.321 -6.884 -4.931 584 HD21 LEU 77 HD21 LEU 77 12.436 -6.209 -3.980 585 HD22 LEU 77 HD22 LEU 77 12.545 -4.724 -3.033 586 HD23 LEU 77 HD23 LEU 77 12.182 -4.643 -4.755 587 H ASP 78 HN ASP 78 10.523 -1.377 -4.132 588 HA ASP 78 HA ASP 78 13.256 -1.850 -4.757 589 HB2 ASP 78 HB2 ASP 78 11.751 -1.589 -6.491 590 HB3 ASP 78 HB1 ASP 78 11.135 -0.047 -6.001 591 H HIS 79 HN HIS 79 11.611 0.483 -2.875 592 HA HIS 79 HA HIS 79 13.968 2.172 -2.785 593 HB2 HIS 79 HB2 HIS 79 11.150 2.582 -1.956 594 HB3 HIS 79 HB1 HIS 79 12.403 3.523 -1.162 595 HD1 HIS 79 HD1 HIS 79 12.924 5.612 -2.253 596 HD2 HIS 79 HD2 HIS 79 11.403 2.862 -4.955 597 HE1 HIS 79 HE1 HIS 79 12.702 6.865 -4.434 598 HE2 HIS 79 HE2 HIS 79 11.527 5.258 -5.954 599 H GLN 80 HN GLN 80 12.925 -0.492 -1.105 600 HA GLN 80 HA GLN 80 14.463 0.444 1.223 601 HB2 GLN 80 HB2 GLN 80 13.775 -1.928 2.115 602 HB3 GLN 80 HB1 GLN 80 12.731 -0.544 2.358 603 HG2 GLN 80 HG2 GLN 80 11.241 -1.271 0.842 604 HG3 GLN 80 HG1 GLN 80 12.368 -2.399 0.019 605 HE21 GLN 80 HE21 GLN 80 9.790 -2.920 0.919 606 HE22 GLN 80 HE22 GLN 80 9.911 -4.043 2.249 607 H ALA 81 HN ALA 81 14.094 -2.177 -0.699 608 HA ALA 81 HA ALA 81 16.564 -3.414 0.033 609 HB1 ALA 81 HB1 ALA 81 15.906 -5.150 -1.527 610 HB2 ALA 81 HB2 ALA 81 14.659 -4.065 -2.183 611 HB3 ALA 81 HB3 ALA 81 14.550 -4.612 -0.512 612 H1 SYO 101 H1A SYO 101 -3.468 6.324 0.882 613 H1A SYO 101 H1B SYO 101 -1.890 7.103 0.648 614 H2 SYO 101 H2A SYO 101 -1.964 6.804 -1.575 615 H2A SYO 101 H2B SYO 101 -3.744 6.695 -1.686 616 H4 SYO 101 H4A SYO 101 -0.672 4.991 -1.165 617 H4A SYO 101 H4B SYO 101 -1.420 3.858 -2.278 618 H5 SYO 101 H5A SYO 101 -1.791 2.262 -0.638 619 H5A SYO 101 H5B SYO 101 -1.572 3.430 0.673 620 H6 SYO 101 H6A SYO 101 0.769 3.655 0.075 621 H6A SYO 101 H6B SYO 101 0.554 2.491 -1.230 622 H7 SYO 101 H7A SYO 101 0.039 0.753 0.332 623 H7A SYO 101 H7B SYO 101 0.114 1.902 1.688 624 H8 SYO 101 H8C SYO 101 2.348 1.195 -0.209 625 H8A SYO 101 H8A SYO 101 2.194 0.632 1.455 626 H8B SYO 101 H8B SYO 101 2.454 2.346 1.126 627 H28 SYO 101 H28A SYO 101 -7.597 11.785 -1.788 628 H28A SYO 101 H28B SYO 101 -7.719 10.052 -2.024 629 H30 SYO 101 H30A SYO 101 -9.244 12.399 -5.181 630 H30A SYO 101 H30B SYO 101 -8.801 13.166 -3.639 631 H30B SYO 101 H30C SYO 101 -10.113 11.986 -3.696 632 H31 SYO 101 H31A SYO 101 -6.488 12.445 -3.930 633 H31A SYO 101 H31B SYO 101 -6.861 11.593 -5.431 634 H31B SYO 101 H31C SYO 101 -6.117 10.728 -4.086 635 H32 SYO 101 H32A SYO 101 -9.471 9.372 -3.835 636 HO33 SYO 101 H33A SYO 101 -8.691 9.462 -6.369 637 HN36 SYO 101 H36A SYO 101 -7.277 9.049 -2.746 638 H37 SYO 101 H37A SYO 101 -5.672 7.394 -2.309 639 H37A SYO 101 H37B SYO 101 -6.314 6.524 -3.696 640 H38 SYO 101 H38A SYO 101 -3.976 7.027 -3.957 641 H38A SYO 101 H38B SYO 101 -4.900 7.880 -5.219 642 HN41 SYO 101 H41A SYO 101 -4.268 8.550 -1.853 643 H42 SYO 101 H42A SYO 101 -2.537 10.814 -2.398 644 H42A SYO 101 H42B SYO 101 -3.985 11.000 -1.419 645 H43 SYO 101 H43A SYO 101 -2.194 10.560 0.090 646 H43A SYO 101 H43B SYO 101 -1.717 9.161 -0.872 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 13.117 -5.510 5.670 2 H2 ALA 1 HT2 ALA 1 14.677 -4.926 5.458 3 H3 ALA 1 HT3 ALA 1 14.399 -6.576 5.466 4 HA ALA 1 HA ALA 1 13.337 -4.696 3.451 5 HB1 ALA 1 HB1 ALA 1 14.893 -5.734 1.888 6 HB2 ALA 1 HB2 ALA 1 15.543 -6.743 3.180 7 HB3 ALA 1 HB3 ALA 1 15.764 -4.994 3.231 8 H ALA 2 HN ALA 2 11.264 -5.488 3.414 9 HA ALA 2 HA ALA 2 10.882 -8.340 3.172 10 HB1 ALA 2 HB1 ALA 2 8.556 -7.764 3.495 11 HB2 ALA 2 HB2 ALA 2 8.957 -6.049 3.443 12 HB3 ALA 2 HB3 ALA 2 9.549 -7.057 4.767 13 H THR 3 HN THR 3 10.357 -9.195 1.246 14 HA THR 3 HA THR 3 10.411 -7.364 -1.015 15 HB THR 3 HB THR 3 11.982 -9.096 -1.333 16 HG1 THR 3 HG1 THR 3 9.947 -10.272 -2.857 17 HG21 THR 3 HG21 THR 3 9.850 -11.109 -0.647 18 HG22 THR 3 HG22 THR 3 11.236 -10.662 0.346 19 HG23 THR 3 HG23 THR 3 11.481 -11.497 -1.188 20 H GLN 4 HN GLN 4 8.962 -8.240 -2.929 21 HA GLN 4 HA GLN 4 6.447 -7.277 -2.355 22 HB2 GLN 4 HB2 GLN 4 7.193 -7.399 -4.646 23 HB3 GLN 4 HB1 GLN 4 7.141 -9.152 -4.610 24 HG2 GLN 4 HG2 GLN 4 4.604 -7.751 -4.008 25 HG3 GLN 4 HG1 GLN 4 5.176 -7.600 -5.655 26 HE21 GLN 4 HE21 GLN 4 3.774 -9.781 -3.239 27 HE22 GLN 4 HE22 GLN 4 3.565 -11.087 -4.317 28 H GLU 5 HN GLU 5 7.390 -10.638 -2.276 29 HA GLU 5 HA GLU 5 4.905 -11.819 -1.948 30 HB2 GLU 5 HB2 GLU 5 7.415 -12.723 -0.521 31 HB3 GLU 5 HB1 GLU 5 6.036 -13.710 -0.959 32 HG2 GLU 5 HG2 GLU 5 7.548 -14.331 -2.562 33 HG3 GLU 5 HG1 GLU 5 6.702 -13.034 -3.401 34 H GLU 6 HN GLU 6 6.910 -10.150 0.328 35 HA GLU 6 HA GLU 6 5.278 -10.793 2.627 36 HB2 GLU 6 HB2 GLU 6 7.831 -10.460 2.664 37 HB3 GLU 6 HB1 GLU 6 7.517 -8.798 2.335 38 HG2 GLU 6 HG2 GLU 6 7.911 -9.067 4.673 39 HG3 GLU 6 HG1 GLU 6 6.219 -8.636 4.434 40 H ILE 7 HN ILE 7 5.836 -8.124 0.343 41 HA ILE 7 HA ILE 7 4.734 -6.041 1.899 42 HB ILE 7 HB ILE 7 5.101 -6.235 -1.097 43 HG12 ILE 7 HG12 ILE 7 6.817 -4.890 0.984 44 HG13 ILE 7 HG11 ILE 7 7.148 -6.495 0.342 45 HG21 ILE 7 HG21 ILE 7 5.000 -3.777 -1.039 46 HG22 ILE 7 HG22 ILE 7 4.638 -3.832 0.684 47 HG23 ILE 7 HG23 ILE 7 3.490 -4.493 -0.480 48 HD11 ILE 7 HD11 ILE 7 7.371 -5.546 -1.884 49 HD12 ILE 7 HD12 ILE 7 8.500 -4.802 -0.746 50 HD13 ILE 7 HD13 ILE 7 7.037 -3.941 -1.239 51 H VAL 8 HN VAL 8 3.418 -7.412 -1.101 52 HA VAL 8 HA VAL 8 0.860 -6.320 -0.804 53 HB VAL 8 HB VAL 8 1.611 -8.870 -2.244 54 HG11 VAL 8 HG11 VAL 8 -0.322 -8.394 -3.685 55 HG12 VAL 8 HG12 VAL 8 -0.720 -7.001 -2.674 56 HG13 VAL 8 HG13 VAL 8 -0.798 -8.629 -2.001 57 HG21 VAL 8 HG21 VAL 8 1.593 -6.035 -3.227 58 HG22 VAL 8 HG22 VAL 8 1.872 -7.465 -4.224 59 HG23 VAL 8 HG23 VAL 8 3.010 -7.041 -2.942 60 H ALA 9 HN ALA 9 2.031 -9.422 0.225 61 HA ALA 9 HA ALA 9 -0.355 -10.426 1.144 62 HB1 ALA 9 HB1 ALA 9 2.381 -10.873 2.312 63 HB2 ALA 9 HB2 ALA 9 1.663 -11.756 0.964 64 HB3 ALA 9 HB3 ALA 9 0.967 -11.894 2.578 65 H GLY 10 HN GLY 10 1.931 -8.196 2.715 66 HA2 GLY 10 HA2 GLY 10 0.566 -8.281 5.203 67 HA3 GLY 10 HA1 GLY 10 1.977 -7.324 4.788 68 H LEU 11 HN LEU 11 0.875 -6.118 2.477 69 HA LEU 11 HA LEU 11 -0.273 -3.879 3.631 70 HB2 LEU 11 HB2 LEU 11 0.829 -4.710 1.184 71 HB3 LEU 11 HB1 LEU 11 -0.784 -4.216 0.848 72 HG LEU 11 HG LEU 11 1.179 -2.445 2.312 73 HD11 LEU 11 HD11 LEU 11 1.954 -2.899 0.030 74 HD12 LEU 11 HD12 LEU 11 1.395 -1.235 0.200 75 HD13 LEU 11 HD13 LEU 11 0.374 -2.433 -0.597 76 HD21 LEU 11 HD21 LEU 11 -1.144 -1.951 2.750 77 HD22 LEU 11 HD22 LEU 11 -1.471 -1.883 1.020 78 HD23 LEU 11 HD23 LEU 11 -0.404 -0.692 1.765 79 H ALA 12 HN ALA 12 -1.517 -6.626 1.810 80 HA ALA 12 HA ALA 12 -4.179 -5.942 1.515 81 HB1 ALA 12 HB1 ALA 12 -3.207 -7.966 0.561 82 HB2 ALA 12 HB2 ALA 12 -4.622 -8.337 1.562 83 HB3 ALA 12 HB3 ALA 12 -3.007 -8.634 2.186 84 H GLU 13 HN GLU 13 -2.583 -7.578 4.209 85 HA GLU 13 HA GLU 13 -4.843 -7.889 5.816 86 HB2 GLU 13 HB2 GLU 13 -1.950 -7.762 6.594 87 HB3 GLU 13 HB1 GLU 13 -3.258 -8.363 7.619 88 HG2 GLU 13 HG2 GLU 13 -3.732 -10.113 6.090 89 HG3 GLU 13 HG1 GLU 13 -2.564 -9.479 4.933 90 H ILE 14 HN ILE 14 -2.473 -5.377 5.670 91 HA ILE 14 HA ILE 14 -3.366 -3.796 7.827 92 HB ILE 14 HB ILE 14 -2.173 -2.976 5.168 93 HG12 ILE 14 HG12 ILE 14 -0.804 -3.100 7.831 94 HG13 ILE 14 HG11 ILE 14 -0.928 -4.517 6.803 95 HG21 ILE 14 HG21 ILE 14 -1.571 -0.871 6.279 96 HG22 ILE 14 HG22 ILE 14 -2.447 -1.382 7.722 97 HG23 ILE 14 HG23 ILE 14 -3.321 -1.080 6.221 98 HD11 ILE 14 HD11 ILE 14 1.176 -3.436 6.540 99 HD12 ILE 14 HD12 ILE 14 0.368 -1.918 6.083 100 HD13 ILE 14 HD13 ILE 14 0.225 -3.360 5.061 101 H VAL 15 HN VAL 15 -4.417 -3.957 4.467 102 HA VAL 15 HA VAL 15 -6.197 -1.745 4.565 103 HB VAL 15 HB VAL 15 -6.111 -4.064 2.597 104 HG11 VAL 15 HG11 VAL 15 -8.209 -2.870 2.502 105 HG12 VAL 15 HG12 VAL 15 -7.234 -2.561 1.064 106 HG13 VAL 15 HG13 VAL 15 -7.347 -1.342 2.336 107 HG21 VAL 15 HG21 VAL 15 -4.863 -1.347 2.449 108 HG22 VAL 15 HG22 VAL 15 -4.858 -2.563 1.166 109 HG23 VAL 15 HG23 VAL 15 -4.029 -2.879 2.696 110 H ASN 16 HN ASN 16 -6.374 -5.018 5.371 111 HA ASN 16 HA ASN 16 -9.242 -5.342 5.365 112 HB2 ASN 16 HB2 ASN 16 -7.404 -6.970 7.167 113 HB3 ASN 16 HB1 ASN 16 -8.973 -7.372 6.526 114 HD21 ASN 16 HD21 ASN 16 -8.338 -6.560 3.916 115 HD22 ASN 16 HD22 ASN 16 -7.191 -7.743 3.305 116 H GLU 17 HN GLU 17 -6.846 -4.398 7.710 117 HA GLU 17 HA GLU 17 -8.728 -4.314 9.887 118 HB2 GLU 17 HB2 GLU 17 -5.881 -3.323 9.747 119 HB3 GLU 17 HB1 GLU 17 -6.842 -3.501 11.208 120 HG2 GLU 17 HG2 GLU 17 -5.939 -5.697 9.373 121 HG3 GLU 17 HG1 GLU 17 -5.309 -5.349 10.989 122 H ILE 18 HN ILE 18 -6.876 -1.958 8.039 123 HA ILE 18 HA ILE 18 -7.776 0.345 9.373 124 HB ILE 18 HB ILE 18 -6.898 0.065 6.492 125 HG12 ILE 18 HG12 ILE 18 -5.298 -0.816 8.176 126 HG13 ILE 18 HG11 ILE 18 -4.656 0.514 7.238 127 HG21 ILE 18 HG21 ILE 18 -6.290 2.428 6.686 128 HG22 ILE 18 HG22 ILE 18 -6.956 2.458 8.317 129 HG23 ILE 18 HG23 ILE 18 -8.019 2.175 6.936 130 HD11 ILE 18 HD11 ILE 18 -5.121 2.001 9.160 131 HD12 ILE 18 HD12 ILE 18 -4.021 0.684 9.568 132 HD13 ILE 18 HD13 ILE 18 -5.713 0.603 10.063 133 H ALA 19 HN ALA 19 -8.877 -1.086 6.309 134 HA ALA 19 HA ALA 19 -11.275 0.582 6.519 135 HB1 ALA 19 HB1 ALA 19 -9.998 0.891 4.447 136 HB2 ALA 19 HB2 ALA 19 -11.579 0.186 4.115 137 HB3 ALA 19 HB3 ALA 19 -10.140 -0.830 4.100 138 H GLY 20 HN GLY 20 -10.693 -2.434 4.863 139 HA2 GLY 20 HA2 GLY 20 -11.687 -4.345 6.437 140 HA3 GLY 20 HA1 GLY 20 -13.161 -3.522 5.965 141 H ILE 21 HN ILE 21 -10.249 -4.224 4.178 142 HA ILE 21 HA ILE 21 -11.808 -5.296 2.004 143 HB ILE 21 HB ILE 21 -9.029 -4.419 2.429 144 HG12 ILE 21 HG12 ILE 21 -9.274 -3.494 0.151 145 HG13 ILE 21 HG11 ILE 21 -10.828 -4.300 0.009 146 HG21 ILE 21 HG21 ILE 21 -8.060 -5.558 0.461 147 HG22 ILE 21 HG22 ILE 21 -9.451 -6.649 0.447 148 HG23 ILE 21 HG23 ILE 21 -8.373 -6.615 1.825 149 HD11 ILE 21 HD11 ILE 21 -11.096 -1.941 0.510 150 HD12 ILE 21 HD12 ILE 21 -10.129 -2.124 1.973 151 HD13 ILE 21 HD13 ILE 21 -11.691 -2.928 1.844 152 HA PRO 22 HA PRO 22 -11.493 -9.493 3.343 153 HB2 PRO 22 HB2 PRO 22 -11.648 -10.378 0.605 154 HB3 PRO 22 HB1 PRO 22 -12.925 -10.428 1.863 155 HG2 PRO 22 HG2 PRO 22 -13.095 -8.827 -0.331 156 HG3 PRO 22 HG1 PRO 22 -13.696 -8.321 1.259 157 HD2 PRO 22 HD2 PRO 22 -11.125 -7.672 -0.056 158 HD3 PRO 22 HD1 PRO 22 -12.283 -6.579 0.744 159 H VAL 23 HN VAL 23 -8.905 -8.281 2.279 160 HA VAL 23 HA VAL 23 -6.726 -8.787 1.813 161 HB VAL 23 HB VAL 23 -7.134 -10.061 3.964 162 HG11 VAL 23 HG11 VAL 23 -6.860 -12.487 3.978 163 HG12 VAL 23 HG12 VAL 23 -6.982 -12.490 2.216 164 HG13 VAL 23 HG13 VAL 23 -8.350 -11.960 3.195 165 HG21 VAL 23 HG21 VAL 23 -4.896 -9.519 3.297 166 HG22 VAL 23 HG22 VAL 23 -4.819 -10.943 2.258 167 HG23 VAL 23 HG23 VAL 23 -4.918 -11.133 4.011 168 H GLU 24 HN GLU 24 -8.934 -10.425 0.088 169 HA GLU 24 HA GLU 24 -6.972 -11.984 -1.462 170 HB2 GLU 24 HB2 GLU 24 -8.914 -13.126 -2.402 171 HB3 GLU 24 HB1 GLU 24 -8.936 -13.171 -0.644 172 HG2 GLU 24 HG2 GLU 24 -10.570 -11.326 -0.632 173 HG3 GLU 24 HG1 GLU 24 -10.558 -11.327 -2.393 174 H ASP 25 HN ASP 25 -8.389 -9.038 -1.515 175 HA ASP 25 HA ASP 25 -8.953 -9.021 -4.402 176 HB2 ASP 25 HB2 ASP 25 -10.490 -8.133 -2.507 177 HB3 ASP 25 HB1 ASP 25 -9.401 -6.783 -2.506 178 H VAL 26 HN VAL 26 -6.682 -8.173 -2.183 179 HA VAL 26 HA VAL 26 -5.700 -5.720 -3.394 180 HB VAL 26 HB VAL 26 -4.302 -7.395 -1.292 181 HG11 VAL 26 HG11 VAL 26 -3.361 -5.278 -0.560 182 HG12 VAL 26 HG12 VAL 26 -4.266 -4.459 -1.838 183 HG13 VAL 26 HG13 VAL 26 -2.969 -5.587 -2.267 184 HG21 VAL 26 HG21 VAL 26 -5.432 -6.053 0.399 185 HG22 VAL 26 HG22 VAL 26 -6.571 -7.013 -0.549 186 HG23 VAL 26 HG23 VAL 26 -6.396 -5.286 -0.860 187 H LYS 27 HN LYS 27 -5.235 -6.358 -5.505 188 HA LYS 27 HA LYS 27 -2.870 -8.065 -5.806 189 HB2 LYS 27 HB2 LYS 27 -5.344 -7.746 -7.456 190 HB3 LYS 27 HB1 LYS 27 -3.825 -7.987 -8.306 191 HG2 LYS 27 HG2 LYS 27 -5.154 -10.065 -7.924 192 HG3 LYS 27 HG1 LYS 27 -3.515 -10.127 -7.276 193 HD2 LYS 27 HD2 LYS 27 -4.339 -9.632 -5.098 194 HD3 LYS 27 HD1 LYS 27 -6.003 -9.516 -5.686 195 HE2 LYS 27 HE2 LYS 27 -4.268 -11.989 -5.813 196 HE3 LYS 27 HE1 LYS 27 -5.510 -11.693 -4.599 197 HZ1 LYS 27 HZ1 LYS 27 -5.987 -11.938 -7.532 198 HZ2 LYS 27 HZ2 LYS 27 -7.182 -11.696 -6.371 199 HZ3 LYS 27 HZ3 LYS 27 -6.280 -13.124 -6.379 200 H LEU 28 HN LEU 28 -1.336 -7.289 -7.243 201 HA LEU 28 HA LEU 28 -0.885 -4.533 -7.081 202 HB2 LEU 28 HB2 LEU 28 0.372 -6.612 -8.864 203 HB3 LEU 28 HB1 LEU 28 0.914 -4.958 -8.735 204 HG LEU 28 HG LEU 28 1.194 -5.514 -6.209 205 HD11 LEU 28 HD11 LEU 28 1.236 -8.282 -7.380 206 HD12 LEU 28 HD12 LEU 28 0.161 -7.662 -6.114 207 HD13 LEU 28 HD13 LEU 28 1.879 -7.837 -5.803 208 HD21 LEU 28 HD21 LEU 28 3.054 -6.598 -8.298 209 HD22 LEU 28 HD22 LEU 28 3.476 -6.229 -6.615 210 HD23 LEU 28 HD23 LEU 28 2.952 -4.938 -7.708 211 H ASP 29 HN ASP 29 -1.120 -2.973 -8.474 212 HA ASP 29 HA ASP 29 -1.793 -1.705 -10.231 213 HB2 ASP 29 HB2 ASP 29 -1.225 -3.477 -11.881 214 HB3 ASP 29 HB1 ASP 29 -2.729 -4.295 -11.518 215 H LYS 30 HN LYS 30 -3.350 -3.053 -7.956 216 HA LYS 30 HA LYS 30 -6.008 -2.115 -8.753 217 HB2 LYS 30 HB2 LYS 30 -5.228 -3.730 -6.349 218 HB3 LYS 30 HB1 LYS 30 -6.806 -3.027 -6.773 219 HG2 LYS 30 HG2 LYS 30 -5.427 -5.027 -8.538 220 HG3 LYS 30 HG1 LYS 30 -6.507 -5.506 -7.218 221 HD2 LYS 30 HD2 LYS 30 -8.306 -4.178 -8.227 222 HD3 LYS 30 HD1 LYS 30 -7.226 -3.661 -9.517 223 HE2 LYS 30 HE2 LYS 30 -7.059 -5.940 -10.324 224 HE3 LYS 30 HE1 LYS 30 -8.028 -6.515 -8.967 225 HZ1 LYS 30 HZ1 LYS 30 -9.371 -6.264 -11.009 226 HZ2 LYS 30 HZ2 LYS 30 -9.031 -4.600 -11.022 227 HZ3 LYS 30 HZ3 LYS 30 -9.895 -5.262 -9.776 228 H SER 31 HN SER 31 -6.682 -0.532 -7.973 229 HA SER 31 HA SER 31 -5.097 1.277 -6.365 230 HB2 SER 31 HB2 SER 31 -7.917 1.663 -7.285 231 HB3 SER 31 HB1 SER 31 -6.703 2.916 -7.002 232 HG SER 31 HG SER 31 -6.965 1.052 -9.089 233 H PHE 32 HN PHE 32 -5.134 0.675 -4.245 234 HA PHE 32 HA PHE 32 -6.881 -0.640 -2.687 235 HB2 PHE 32 HB2 PHE 32 -5.457 1.867 -1.847 236 HB3 PHE 32 HB1 PHE 32 -6.140 0.672 -0.776 237 HD1 PHE 32 HD2 PHE 32 -5.000 -1.486 -0.467 238 HD2 PHE 32 HD1 PHE 32 -3.345 1.610 -2.860 239 HE1 PHE 32 HE2 PHE 32 -2.814 -2.532 -0.307 240 HE2 PHE 32 HE1 PHE 32 -1.149 0.564 -2.683 241 HZ PHE 32 HZ PHE 32 -0.878 -1.509 -1.405 242 H THR 33 HN THR 33 -6.995 2.874 -3.130 243 HA THR 33 HA THR 33 -9.336 3.102 -1.515 244 HB THR 33 HB THR 33 -7.500 4.784 -1.591 245 HG1 THR 33 HG1 THR 33 -10.188 5.507 -2.064 246 HG21 THR 33 HG21 THR 33 -7.512 6.443 -3.406 247 HG22 THR 33 HG22 THR 33 -8.728 5.485 -4.254 248 HG23 THR 33 HG23 THR 33 -7.114 4.825 -3.983 249 H ASP 34 HN ASP 34 -9.270 1.866 -4.476 250 HA ASP 34 HA ASP 34 -11.804 3.142 -5.272 251 HB2 ASP 34 HB2 ASP 34 -9.851 4.200 -6.459 252 HB3 ASP 34 HB1 ASP 34 -9.526 2.633 -7.183 253 H ASP 35 HN ASP 35 -9.448 0.768 -6.405 254 HA ASP 35 HA ASP 35 -11.330 -1.007 -7.565 255 HB2 ASP 35 HB2 ASP 35 -8.432 -1.106 -6.888 256 HB3 ASP 35 HB1 ASP 35 -9.167 -2.567 -7.457 257 H LEU 36 HN LEU 36 -9.448 -0.962 -4.621 258 HA LEU 36 HA LEU 36 -10.567 -3.434 -3.642 259 HB2 LEU 36 HB2 LEU 36 -9.055 -1.308 -2.187 260 HB3 LEU 36 HB1 LEU 36 -9.317 -2.907 -1.599 261 HG LEU 36 HG LEU 36 -7.439 -1.921 -3.656 262 HD11 LEU 36 HD11 LEU 36 -7.300 -3.671 -1.257 263 HD12 LEU 36 HD12 LEU 36 -6.883 -1.967 -1.354 264 HD13 LEU 36 HD13 LEU 36 -5.898 -3.168 -2.230 265 HD21 LEU 36 HD21 LEU 36 -8.252 -4.800 -3.270 266 HD22 LEU 36 HD22 LEU 36 -6.899 -4.213 -4.245 267 HD23 LEU 36 HD23 LEU 36 -8.556 -3.814 -4.703 268 H ASP 37 HN ASP 37 -10.705 -0.023 -2.897 269 HA ASP 37 HA ASP 37 -12.369 1.315 -2.415 270 HB2 ASP 37 HB2 ASP 37 -14.157 -0.204 -3.083 271 HB3 ASP 37 HB1 ASP 37 -13.932 -1.050 -1.538 272 H VAL 38 HN VAL 38 -10.489 1.507 -1.190 273 HA VAL 38 HA VAL 38 -11.063 1.366 1.671 274 HB VAL 38 HB VAL 38 -8.623 2.501 0.259 275 HG11 VAL 38 HG11 VAL 38 -9.045 1.800 3.182 276 HG12 VAL 38 HG12 VAL 38 -8.943 3.435 2.523 277 HG13 VAL 38 HG13 VAL 38 -7.536 2.378 2.474 278 HG21 VAL 38 HG21 VAL 38 -8.844 0.138 -0.132 279 HG22 VAL 38 HG22 VAL 38 -9.013 -0.157 1.600 280 HG23 VAL 38 HG23 VAL 38 -7.486 0.453 0.949 281 H ASP 39 HN ASP 39 -11.207 3.252 2.922 282 HA ASP 39 HA ASP 39 -12.794 5.253 1.698 283 HB2 ASP 39 HB2 ASP 39 -11.870 4.756 4.463 284 HB3 ASP 39 HB1 ASP 39 -12.799 6.207 4.067 285 H SER 40 HN SER 40 -9.766 5.294 1.156 286 HA SER 40 HA SER 40 -8.260 6.825 0.550 287 HB2 SER 40 HB2 SER 40 -9.906 7.850 -0.632 288 HB3 SER 40 HB1 SER 40 -10.602 8.639 0.811 289 H LEU 41 HN LEU 41 -9.889 8.309 3.404 290 HA LEU 41 HA LEU 41 -7.451 9.612 4.107 291 HB2 LEU 41 HB2 LEU 41 -8.470 10.237 6.221 292 HB3 LEU 41 HB1 LEU 41 -9.636 10.466 4.943 293 HG LEU 41 HG LEU 41 -9.701 7.952 6.547 294 HD11 LEU 41 HD11 LEU 41 -10.896 10.617 7.362 295 HD12 LEU 41 HD12 LEU 41 -9.581 9.789 8.192 296 HD13 LEU 41 HD13 LEU 41 -11.198 9.080 8.169 297 HD21 LEU 41 HD21 LEU 41 -12.166 8.283 6.210 298 HD22 LEU 41 HD22 LEU 41 -11.259 7.962 4.764 299 HD23 LEU 41 HD23 LEU 41 -11.777 9.620 5.126 300 H SER 42 HN SER 42 -9.017 6.647 4.896 301 HA SER 42 HA SER 42 -7.463 5.627 6.944 302 HB2 SER 42 HB2 SER 42 -8.729 4.113 4.708 303 HB3 SER 42 HB1 SER 42 -8.639 3.667 6.421 304 HG SER 42 HG SER 42 -10.411 4.719 6.739 305 H MET 43 HN MET 43 -6.892 6.066 3.588 306 HA MET 43 HA MET 43 -5.237 3.909 2.965 307 HB2 MET 43 HB2 MET 43 -5.628 6.603 1.763 308 HB3 MET 43 HB1 MET 43 -4.456 5.463 1.134 309 HG2 MET 43 HG2 MET 43 -7.293 4.638 1.494 310 HG3 MET 43 HG1 MET 43 -6.792 5.640 0.127 311 HE1 MET 43 HE1 MET 43 -4.419 2.889 1.727 312 HE2 MET 43 HE2 MET 43 -4.894 1.459 0.809 313 HE3 MET 43 HE3 MET 43 -6.014 2.178 1.973 314 H VAL 44 HN VAL 44 -4.587 7.169 4.017 315 HA VAL 44 HA VAL 44 -1.864 7.168 3.762 316 HB VAL 44 HB VAL 44 -3.497 8.520 5.940 317 HG11 VAL 44 HG11 VAL 44 -1.125 8.492 6.534 318 HG12 VAL 44 HG12 VAL 44 -1.640 10.122 6.099 319 HG13 VAL 44 HG13 VAL 44 -0.711 9.155 4.954 320 HG21 VAL 44 HG21 VAL 44 -4.232 9.071 3.690 321 HG22 VAL 44 HG22 VAL 44 -2.579 9.499 3.239 322 HG23 VAL 44 HG23 VAL 44 -3.445 10.463 4.438 323 H GLU 45 HN GLU 45 -3.865 6.047 6.478 324 HA GLU 45 HA GLU 45 -1.927 5.295 8.370 325 HB2 GLU 45 HB2 GLU 45 -4.446 3.740 7.802 326 HB3 GLU 45 HB1 GLU 45 -3.604 3.897 9.329 327 HG2 GLU 45 HG2 GLU 45 -5.111 6.085 7.917 328 HG3 GLU 45 HG1 GLU 45 -5.672 5.097 9.267 329 H VAL 46 HN VAL 46 -3.480 3.522 5.766 330 HA VAL 46 HA VAL 46 -2.333 0.990 6.051 331 HB VAL 46 HB VAL 46 -3.215 2.335 3.484 332 HG11 VAL 46 HG11 VAL 46 -3.660 0.093 2.661 333 HG12 VAL 46 HG12 VAL 46 -2.991 -0.580 4.147 334 HG13 VAL 46 HG13 VAL 46 -1.955 0.329 3.044 335 HG21 VAL 46 HG21 VAL 46 -5.369 1.211 3.852 336 HG22 VAL 46 HG22 VAL 46 -5.003 2.434 5.057 337 HG23 VAL 46 HG23 VAL 46 -4.813 0.719 5.454 338 H VAL 47 HN VAL 47 -1.038 3.855 4.808 339 HA VAL 47 HA VAL 47 1.015 2.627 3.113 340 HB VAL 47 HB VAL 47 0.822 5.515 4.011 341 HG11 VAL 47 HG11 VAL 47 2.218 5.964 2.053 342 HG12 VAL 47 HG12 VAL 47 2.284 4.233 1.713 343 HG13 VAL 47 HG13 VAL 47 3.012 4.869 3.186 344 HG21 VAL 47 HG21 VAL 47 -0.248 4.245 1.507 345 HG22 VAL 47 HG22 VAL 47 -0.208 5.976 1.847 346 HG23 VAL 47 HG23 VAL 47 -1.200 4.906 2.833 347 H VAL 48 HN VAL 48 0.836 4.629 5.983 348 HA VAL 48 HA VAL 48 3.471 4.468 6.808 349 HB VAL 48 HB VAL 48 0.945 4.634 8.493 350 HG11 VAL 48 HG11 VAL 48 2.879 4.005 9.847 351 HG12 VAL 48 HG12 VAL 48 2.361 5.652 10.209 352 HG13 VAL 48 HG13 VAL 48 3.782 5.374 9.201 353 HG21 VAL 48 HG21 VAL 48 1.090 6.418 6.844 354 HG22 VAL 48 HG22 VAL 48 2.721 6.802 7.379 355 HG23 VAL 48 HG23 VAL 48 1.354 7.059 8.466 356 H ALA 49 HN ALA 49 0.693 2.296 7.422 357 HA ALA 49 HA ALA 49 2.014 0.736 9.202 358 HB1 ALA 49 HB1 ALA 49 -0.359 0.043 7.492 359 HB2 ALA 49 HB2 ALA 49 -0.391 0.792 9.088 360 HB3 ALA 49 HB3 ALA 49 0.176 -0.868 8.904 361 H ALA 50 HN ALA 50 1.631 0.634 5.743 362 HA ALA 50 HA ALA 50 2.743 -1.889 5.272 363 HB1 ALA 50 HB1 ALA 50 2.600 0.531 3.444 364 HB2 ALA 50 HB2 ALA 50 1.419 -0.761 3.545 365 HB3 ALA 50 HB3 ALA 50 3.025 -1.096 2.936 366 H GLU 51 HN GLU 51 4.223 1.359 5.072 367 HA GLU 51 HA GLU 51 6.726 0.210 4.545 368 HB2 GLU 51 HB2 GLU 51 7.680 2.510 5.152 369 HB3 GLU 51 HB1 GLU 51 6.733 2.363 3.719 370 HG2 GLU 51 HG2 GLU 51 5.655 4.015 4.368 371 HG3 GLU 51 HG1 GLU 51 4.852 3.066 5.600 372 H GLU 52 HN GLU 52 5.269 1.030 7.569 373 HA GLU 52 HA GLU 52 7.619 0.620 9.073 374 HB2 GLU 52 HB2 GLU 52 4.721 0.429 9.816 375 HB3 GLU 52 HB1 GLU 52 6.012 0.206 11.002 376 HG2 GLU 52 HG2 GLU 52 6.797 2.501 10.352 377 HG3 GLU 52 HG1 GLU 52 5.319 2.650 9.404 378 H ARG 53 HN ARG 53 5.340 -1.608 7.689 379 HA ARG 53 HA ARG 53 6.425 -3.818 9.220 380 HB2 ARG 53 HB2 ARG 53 4.021 -3.879 8.726 381 HB3 ARG 53 HB1 ARG 53 4.354 -3.826 6.997 382 HG2 ARG 53 HG2 ARG 53 5.503 -6.005 7.173 383 HG3 ARG 53 HG1 ARG 53 5.102 -6.058 8.882 384 HD2 ARG 53 HD2 ARG 53 2.709 -6.209 8.347 385 HD3 ARG 53 HD1 ARG 53 3.054 -5.956 6.649 386 HE ARG 53 HE ARG 53 4.590 -8.070 7.251 387 HH11 ARG 53 HH11 ARG 53 1.115 -7.585 7.881 388 HH12 ARG 53 HH12 ARG 53 0.659 -9.123 7.328 389 HH21 ARG 53 HH21 ARG 53 3.946 -10.204 6.485 390 HH22 ARG 53 HH22 ARG 53 2.304 -10.668 6.592 391 H PHE 54 HN PHE 54 6.687 -2.546 5.931 392 HA PHE 54 HA PHE 54 8.215 -4.923 5.174 393 HB2 PHE 54 HB2 PHE 54 7.476 -2.681 3.302 394 HB3 PHE 54 HB1 PHE 54 7.959 -4.332 2.896 395 HD1 PHE 54 HD2 PHE 54 6.462 -5.972 4.605 396 HD2 PHE 54 HD1 PHE 54 5.290 -2.394 2.675 397 HE1 PHE 54 HE2 PHE 54 4.179 -6.762 4.549 398 HE2 PHE 54 HE1 PHE 54 2.989 -3.167 2.613 399 HZ PHE 54 HZ PHE 54 2.342 -5.129 3.883 400 H ASP 55 HN ASP 55 8.870 -2.035 6.384 401 HA ASP 55 HA ASP 55 10.905 -1.267 7.180 402 HB2 ASP 55 HB2 ASP 55 12.314 -2.992 5.132 403 HB3 ASP 55 HB1 ASP 55 13.104 -2.008 6.353 404 H VAL 56 HN VAL 56 9.602 -0.607 4.237 405 HA VAL 56 HA VAL 56 11.756 1.122 3.377 406 HB VAL 56 HB VAL 56 10.198 -0.006 1.757 407 HG11 VAL 56 HG11 VAL 56 8.161 0.139 2.956 408 HG12 VAL 56 HG12 VAL 56 7.981 0.895 1.372 409 HG13 VAL 56 HG13 VAL 56 8.162 1.896 2.813 410 HG21 VAL 56 HG21 VAL 56 11.436 1.939 0.974 411 HG22 VAL 56 HG22 VAL 56 10.145 2.998 1.560 412 HG23 VAL 56 HG23 VAL 56 9.833 1.870 0.239 413 H LYS 57 HN LYS 57 11.114 3.587 3.021 414 HA LYS 57 HA LYS 57 9.255 4.367 5.105 415 HB2 LYS 57 HB2 LYS 57 11.737 4.892 5.607 416 HB3 LYS 57 HB1 LYS 57 11.618 6.067 4.298 417 HG2 LYS 57 HG2 LYS 57 11.243 7.163 6.414 418 HG3 LYS 57 HG1 LYS 57 9.739 7.144 5.479 419 HD2 LYS 57 HD2 LYS 57 9.095 5.051 6.727 420 HD3 LYS 57 HD1 LYS 57 10.512 5.303 7.736 421 HE2 LYS 57 HE2 LYS 57 8.487 6.019 8.741 422 HE3 LYS 57 HE1 LYS 57 9.588 7.408 8.500 423 HZ1 LYS 57 HZ1 LYS 57 7.312 6.625 6.779 424 HZ2 LYS 57 HZ2 LYS 57 8.167 8.086 6.629 425 HZ3 LYS 57 HZ3 LYS 57 7.169 7.789 7.965 426 H ILE 58 HN ILE 58 7.618 5.563 4.345 427 HA ILE 58 HA ILE 58 7.955 6.469 1.606 428 HB ILE 58 HB ILE 58 5.381 5.528 2.905 429 HG12 ILE 58 HG12 ILE 58 7.107 4.254 0.763 430 HG13 ILE 58 HG11 ILE 58 7.012 3.718 2.431 431 HG21 ILE 58 HG21 ILE 58 5.003 7.283 1.228 432 HG22 ILE 58 HG22 ILE 58 4.432 5.720 0.645 433 HG23 ILE 58 HG23 ILE 58 5.961 6.375 0.056 434 HD11 ILE 58 HD11 ILE 58 5.698 2.302 0.971 435 HD12 ILE 58 HD12 ILE 58 4.767 3.698 0.429 436 HD13 ILE 58 HD13 ILE 58 4.653 3.158 2.105 437 HA PRO 59 HA PRO 59 7.233 10.537 3.521 438 HB2 PRO 59 HB2 PRO 59 7.417 11.849 1.143 439 HB3 PRO 59 HB1 PRO 59 8.844 11.428 2.115 440 HG2 PRO 59 HG2 PRO 59 7.640 10.050 -0.241 441 HG3 PRO 59 HG1 PRO 59 9.360 10.351 0.105 442 HD2 PRO 59 HD2 PRO 59 8.252 7.950 0.509 443 HD3 PRO 59 HD1 PRO 59 9.455 8.602 1.642 444 H ASP 60 HN ASP 60 5.478 11.939 3.391 445 HA ASP 60 HA ASP 60 3.046 10.822 2.555 446 HB2 ASP 60 HB2 ASP 60 1.955 12.879 3.193 447 HB3 ASP 60 HB1 ASP 60 3.224 12.545 4.359 448 H ASP 61 HN ASP 61 5.256 12.914 0.875 449 HA ASP 61 HA ASP 61 3.598 13.666 -1.270 450 HB2 ASP 61 HB2 ASP 61 5.801 14.689 -0.918 451 HB3 ASP 61 HB1 ASP 61 6.581 13.153 -1.273 452 H ASP 62 HN ASP 62 5.682 10.825 -0.830 453 HA ASP 62 HA ASP 62 4.943 9.774 -3.384 454 HB2 ASP 62 HB2 ASP 62 6.600 8.662 -1.167 455 HB3 ASP 62 HB1 ASP 62 6.048 7.619 -2.473 456 H VAL 63 HN VAL 63 3.774 9.422 -0.166 457 HA VAL 63 HA VAL 63 2.082 7.225 -0.448 458 HB VAL 63 HB VAL 63 1.458 9.879 0.952 459 HG11 VAL 63 HG11 VAL 63 -0.502 8.409 0.603 460 HG12 VAL 63 HG12 VAL 63 -0.110 8.700 2.296 461 HG13 VAL 63 HG13 VAL 63 0.322 7.168 1.542 462 HG21 VAL 63 HG21 VAL 63 2.695 7.376 2.074 463 HG22 VAL 63 HG22 VAL 63 2.249 8.812 2.995 464 HG23 VAL 63 HG23 VAL 63 3.523 8.904 1.779 465 H LYS 64 HN LYS 64 1.751 10.547 -1.478 466 HA LYS 64 HA LYS 64 -0.899 10.355 -2.544 467 HB2 LYS 64 HB2 LYS 64 1.257 12.381 -3.025 468 HB3 LYS 64 HB1 LYS 64 -0.423 12.566 -3.486 469 HG2 LYS 64 HG2 LYS 64 -1.128 12.652 -1.195 470 HG3 LYS 64 HG1 LYS 64 0.500 12.226 -0.644 471 HD2 LYS 64 HD2 LYS 64 1.391 14.263 -1.439 472 HD3 LYS 64 HD1 LYS 64 -0.124 14.717 -2.227 473 HE2 LYS 64 HE2 LYS 64 0.124 15.974 -0.186 474 HE3 LYS 64 HE1 LYS 64 -1.168 14.804 0.040 475 HZ1 LYS 64 HZ1 LYS 64 0.258 14.923 1.954 476 HZ2 LYS 64 HZ2 LYS 64 1.623 14.555 1.087 477 HZ3 LYS 64 HZ3 LYS 64 0.385 13.396 1.275 478 H ASN 65 HN ASN 65 2.035 9.173 -3.761 479 HA ASN 65 HA ASN 65 1.289 9.562 -6.548 480 HB2 ASN 65 HB2 ASN 65 3.721 8.642 -5.125 481 HB3 ASN 65 HB1 ASN 65 3.488 8.269 -6.803 482 HD21 ASN 65 HD21 ASN 65 3.914 11.004 -4.566 483 HD22 ASN 65 HD22 ASN 65 4.383 12.111 -5.789 484 H LEU 66 HN LEU 66 1.321 7.264 -4.002 485 HA LEU 66 HA LEU 66 1.174 5.029 -5.801 486 HB2 LEU 66 HB2 LEU 66 0.707 5.084 -2.828 487 HB3 LEU 66 HB1 LEU 66 1.002 3.682 -3.826 488 HG LEU 66 HG LEU 66 2.966 5.798 -2.996 489 HD11 LEU 66 HD11 LEU 66 2.767 2.854 -2.416 490 HD12 LEU 66 HD12 LEU 66 2.374 4.151 -1.331 491 HD13 LEU 66 HD13 LEU 66 4.060 3.908 -1.850 492 HD21 LEU 66 HD21 LEU 66 3.437 5.146 -5.316 493 HD22 LEU 66 HD22 LEU 66 3.399 3.445 -4.848 494 HD23 LEU 66 HD23 LEU 66 4.665 4.504 -4.225 495 H LYS 67 HN LYS 67 -0.654 4.665 -6.699 496 HA LYS 67 HA LYS 67 -3.034 5.252 -5.104 497 HB2 LYS 67 HB2 LYS 67 -4.452 5.478 -7.050 498 HB3 LYS 67 HB1 LYS 67 -3.057 6.528 -7.253 499 HG2 LYS 67 HG2 LYS 67 -3.582 3.891 -8.633 500 HG3 LYS 67 HG1 LYS 67 -3.833 5.485 -9.323 501 HD2 LYS 67 HD2 LYS 67 -1.202 4.251 -8.520 502 HD3 LYS 67 HD1 LYS 67 -1.802 4.471 -10.156 503 HE2 LYS 67 HE2 LYS 67 -1.758 6.913 -9.821 504 HE3 LYS 67 HE1 LYS 67 -1.114 6.653 -8.198 505 HZ1 LYS 67 HZ1 LYS 67 0.163 5.958 -10.768 506 HZ2 LYS 67 HZ2 LYS 67 0.759 5.433 -9.277 507 HZ3 LYS 67 HZ3 LYS 67 0.713 7.091 -9.638 508 H THR 68 HN THR 68 -1.366 2.673 -6.861 509 HA THR 68 HA THR 68 -3.481 0.855 -6.032 510 HB THR 68 HB THR 68 -2.951 -0.546 -7.842 511 HG1 THR 68 HG1 THR 68 -0.818 1.088 -8.753 512 HG21 THR 68 HG21 THR 68 -2.811 2.298 -8.862 513 HG22 THR 68 HG22 THR 68 -4.265 1.350 -8.591 514 HG23 THR 68 HG23 THR 68 -3.140 0.887 -9.873 515 H VAL 69 HN VAL 69 -2.403 -1.395 -5.906 516 HA VAL 69 HA VAL 69 -0.262 -1.110 -4.066 517 HB VAL 69 HB VAL 69 -1.743 -2.516 -3.065 518 HG11 VAL 69 HG11 VAL 69 -2.268 -3.793 -5.683 519 HG12 VAL 69 HG12 VAL 69 -3.252 -2.575 -4.879 520 HG13 VAL 69 HG13 VAL 69 -3.091 -4.198 -4.170 521 HG21 VAL 69 HG21 VAL 69 -0.135 -4.547 -4.600 522 HG22 VAL 69 HG22 VAL 69 -1.039 -4.872 -3.117 523 HG23 VAL 69 HG23 VAL 69 0.352 -3.786 -3.086 524 H GLY 70 HN GLY 70 -0.679 -1.576 -7.250 525 HA2 GLY 70 HA2 GLY 70 1.699 -3.182 -7.688 526 HA3 GLY 70 HA1 GLY 70 0.804 -2.299 -8.928 527 H ASP 71 HN ASP 71 0.739 0.125 -7.478 528 HA ASP 71 HA ASP 71 3.210 1.394 -8.027 529 HB2 ASP 71 HB2 ASP 71 0.670 1.973 -6.606 530 HB3 ASP 71 HB1 ASP 71 1.930 3.134 -6.462 531 H ALA 72 HN ALA 72 1.435 0.789 -5.042 532 HA ALA 72 HA ALA 72 3.211 1.692 -3.147 533 HB1 ALA 72 HB1 ALA 72 1.502 -0.760 -2.891 534 HB2 ALA 72 HB2 ALA 72 0.898 0.891 -2.697 535 HB3 ALA 72 HB3 ALA 72 2.111 0.237 -1.585 536 H THR 73 HN THR 73 2.839 -1.637 -4.047 537 HA THR 73 HA THR 73 4.843 -2.588 -2.497 538 HB THR 73 HB THR 73 3.822 -3.725 -5.077 539 HG1 THR 73 HG1 THR 73 2.063 -3.702 -3.963 540 HG21 THR 73 HG21 THR 73 4.407 -5.834 -4.031 541 HG22 THR 73 HG22 THR 73 5.026 -4.887 -2.637 542 HG23 THR 73 HG23 THR 73 5.805 -4.741 -4.217 543 H LYS 74 HN LYS 74 4.969 -1.745 -5.918 544 HA LYS 74 HA LYS 74 7.564 -2.503 -6.434 545 HB2 LYS 74 HB2 LYS 74 5.576 -0.707 -7.524 546 HB3 LYS 74 HB1 LYS 74 7.232 -0.316 -7.973 547 HG2 LYS 74 HG2 LYS 74 6.132 -1.736 -9.667 548 HG3 LYS 74 HG1 LYS 74 7.531 -2.517 -8.941 549 HD2 LYS 74 HD2 LYS 74 6.085 -3.876 -7.551 550 HD3 LYS 74 HD1 LYS 74 4.667 -3.012 -8.137 551 HE2 LYS 74 HE2 LYS 74 4.931 -5.188 -9.254 552 HE3 LYS 74 HE1 LYS 74 5.024 -3.839 -10.381 553 HZ1 LYS 74 HZ1 LYS 74 6.698 -5.454 -10.876 554 HZ2 LYS 74 HZ2 LYS 74 7.306 -5.416 -9.315 555 HZ3 LYS 74 HZ3 LYS 74 7.458 -4.053 -10.325 556 H TYR 75 HN TYR 75 6.230 0.588 -5.402 557 HA TYR 75 HA TYR 75 8.529 2.096 -5.220 558 HB2 TYR 75 HB2 TYR 75 6.147 2.881 -4.976 559 HB3 TYR 75 HB1 TYR 75 6.160 2.162 -3.412 560 HD1 TYR 75 HD1 TYR 75 8.224 4.667 -5.265 561 HD2 TYR 75 HD2 TYR 75 6.715 3.299 -1.542 562 HE1 TYR 75 HE1 TYR 75 9.293 6.567 -4.135 563 HE2 TYR 75 HE2 TYR 75 7.742 5.157 -0.408 564 HH TYR 75 HH TYR 75 8.988 7.871 -1.997 565 H ILE 76 HN ILE 76 6.900 0.262 -2.763 566 HA ILE 76 HA ILE 76 8.497 0.712 -0.545 567 HB ILE 76 HB ILE 76 6.814 -1.654 -1.380 568 HG12 ILE 76 HG12 ILE 76 6.277 0.379 0.737 569 HG13 ILE 76 HG11 ILE 76 5.880 0.659 -0.956 570 HG21 ILE 76 HG21 ILE 76 6.826 -2.343 0.990 571 HG22 ILE 76 HG22 ILE 76 8.101 -1.152 1.300 572 HG23 ILE 76 HG23 ILE 76 8.390 -2.502 0.194 573 HD11 ILE 76 HD11 ILE 76 3.966 -0.177 0.320 574 HD12 ILE 76 HD12 ILE 76 4.890 -1.649 0.707 575 HD13 ILE 76 HD13 ILE 76 4.482 -1.257 -0.973 576 H LEU 77 HN LEU 77 8.550 -2.207 -2.566 577 HA LEU 77 HA LEU 77 10.723 -3.444 -1.453 578 HB2 LEU 77 HB2 LEU 77 8.961 -4.260 -3.040 579 HB3 LEU 77 HB1 LEU 77 9.816 -3.466 -4.330 580 HG LEU 77 HG LEU 77 10.710 -5.892 -2.763 581 HD11 LEU 77 HD11 LEU 77 9.765 -5.401 -5.543 582 HD12 LEU 77 HD12 LEU 77 8.901 -6.258 -4.268 583 HD13 LEU 77 HD13 LEU 77 10.382 -6.954 -4.968 584 HD21 LEU 77 HD21 LEU 77 12.678 -4.555 -3.487 585 HD22 LEU 77 HD22 LEU 77 12.055 -4.567 -5.137 586 HD23 LEU 77 HD23 LEU 77 12.550 -6.078 -4.368 587 H ASP 78 HN ASP 78 10.464 -1.111 -4.063 588 HA ASP 78 HA ASP 78 12.988 -1.367 -5.243 589 HB2 ASP 78 HB2 ASP 78 10.896 -0.349 -6.245 590 HB3 ASP 78 HB1 ASP 78 11.184 1.028 -5.230 591 H HIS 79 HN HIS 79 11.873 0.357 -2.512 592 HA HIS 79 HA HIS 79 14.327 1.927 -2.414 593 HB2 HIS 79 HB2 HIS 79 11.640 2.307 -1.220 594 HB3 HIS 79 HB1 HIS 79 13.031 3.064 -0.471 595 HD1 HIS 79 HD1 HIS 79 13.538 5.321 -1.328 596 HD2 HIS 79 HD2 HIS 79 11.415 3.068 -4.098 597 HE1 HIS 79 HE1 HIS 79 13.064 6.879 -3.244 598 HE2 HIS 79 HE2 HIS 79 11.834 5.479 -4.943 599 H GLN 80 HN GLN 80 13.186 -0.949 -1.066 600 HA GLN 80 HA GLN 80 14.970 -0.460 1.205 601 HB2 GLN 80 HB2 GLN 80 13.577 -2.399 2.208 602 HB3 GLN 80 HB1 GLN 80 13.154 -0.707 2.554 603 HG2 GLN 80 HG2 GLN 80 11.125 -1.286 1.835 604 HG3 GLN 80 HG1 GLN 80 11.826 -1.489 0.232 605 HE21 GLN 80 HE21 GLN 80 9.661 -2.857 1.288 606 HE22 GLN 80 HE22 GLN 80 10.098 -4.540 1.309 607 H ALA 81 HN ALA 81 13.762 -2.817 -0.700 608 HA ALA 81 HA ALA 81 15.834 -4.698 0.070 609 HB1 ALA 81 HB1 ALA 81 13.484 -5.151 -1.742 610 HB2 ALA 81 HB2 ALA 81 13.489 -5.300 0.002 611 HB3 ALA 81 HB3 ALA 81 14.501 -6.400 -0.970 612 H1 SYO 101 H1A SYO 101 -1.547 6.863 -0.424 613 H1A SYO 101 H1B SYO 101 -2.596 7.363 -1.767 614 H2 SYO 101 H2A SYO 101 -4.184 5.647 -1.037 615 H2A SYO 101 H2B SYO 101 -3.134 5.210 0.298 616 H4 SYO 101 H4A SYO 101 -0.680 5.008 -0.652 617 H4A SYO 101 H4B SYO 101 -0.503 4.189 -2.214 618 H5 SYO 101 H5A SYO 101 -1.258 2.126 -1.193 619 H5A SYO 101 H5B SYO 101 -1.527 2.968 0.340 620 H6 SYO 101 H6A SYO 101 0.846 3.581 0.365 621 H6A SYO 101 H6B SYO 101 1.080 2.633 -1.100 622 H7 SYO 101 H7A SYO 101 0.398 0.622 0.066 623 H7A SYO 101 H7B SYO 101 0.146 1.577 1.548 624 H8 SYO 101 H8C SYO 101 2.346 0.499 1.512 625 H8A SYO 101 H8A SYO 101 2.487 2.256 1.464 626 H8B SYO 101 H8B SYO 101 2.707 1.310 -0.011 627 H28 SYO 101 H28A SYO 101 -7.281 11.654 -1.568 628 H28A SYO 101 H28B SYO 101 -7.417 9.967 -2.030 629 H30 SYO 101 H30A SYO 101 -9.729 11.997 -3.645 630 H30A SYO 101 H30B SYO 101 -8.771 12.654 -4.985 631 H30B SYO 101 H30C SYO 101 -8.523 13.243 -3.325 632 H31 SYO 101 H31A SYO 101 -6.306 12.077 -5.086 633 H31A SYO 101 H31B SYO 101 -5.610 11.085 -3.804 634 H31B SYO 101 H31C SYO 101 -6.156 12.722 -3.451 635 H32 SYO 101 H32A SYO 101 -8.861 9.448 -4.113 636 HO33 SYO 101 H33A SYO 101 -7.797 10.012 -6.458 637 HN36 SYO 101 H36A SYO 101 -6.809 8.917 -2.889 638 H37 SYO 101 H37A SYO 101 -5.084 7.347 -2.674 639 H37A SYO 101 H37B SYO 101 -5.521 6.758 -4.277 640 H38 SYO 101 H38A SYO 101 -3.161 7.537 -4.116 641 H38A SYO 101 H38B SYO 101 -4.067 8.489 -5.306 642 HN41 SYO 101 H41A SYO 101 -3.834 8.504 -1.840 643 H42 SYO 101 H42A SYO 101 -2.546 11.080 -1.732 644 H42A SYO 101 H42B SYO 101 -4.147 10.851 -1.064 645 H43 SYO 101 H43A SYO 101 -2.797 10.440 0.790 646 H43A SYO 101 H43B SYO 101 -1.663 9.606 -0.230 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 14.490 -6.498 5.731 2 H2 ALA 1 HT2 ALA 1 13.046 -5.705 5.886 3 H3 ALA 1 HT3 ALA 1 14.423 -4.798 5.555 4 HA ALA 1 HA ALA 1 13.126 -4.977 3.574 5 HB1 ALA 1 HB1 ALA 1 15.410 -6.945 3.424 6 HB2 ALA 1 HB2 ALA 1 15.559 -5.195 3.277 7 HB3 ALA 1 HB3 ALA 1 14.663 -6.107 2.063 8 H ALA 2 HN ALA 2 11.609 -6.004 2.406 9 HA ALA 2 HA ALA 2 11.095 -8.803 2.758 10 HB1 ALA 2 HB1 ALA 2 9.105 -6.623 3.447 11 HB2 ALA 2 HB2 ALA 2 9.881 -7.706 4.598 12 HB3 ALA 2 HB3 ALA 2 8.770 -8.358 3.400 13 H THR 3 HN THR 3 10.287 -9.536 0.859 14 HA THR 3 HA THR 3 10.367 -7.620 -1.329 15 HB THR 3 HB THR 3 11.599 -9.764 -1.564 16 HG1 THR 3 HG1 THR 3 11.250 -9.082 -3.475 17 HG21 THR 3 HG21 THR 3 10.363 -11.859 -1.989 18 HG22 THR 3 HG22 THR 3 8.848 -11.028 -1.626 19 HG23 THR 3 HG23 THR 3 10.059 -11.246 -0.362 20 H GLN 4 HN GLN 4 8.768 -8.325 -3.175 21 HA GLN 4 HA GLN 4 6.354 -7.115 -2.616 22 HB2 GLN 4 HB2 GLN 4 7.102 -7.277 -4.876 23 HB3 GLN 4 HB1 GLN 4 6.992 -9.023 -4.854 24 HG2 GLN 4 HG2 GLN 4 4.523 -7.426 -4.396 25 HG3 GLN 4 HG1 GLN 4 5.171 -7.500 -6.018 26 HE21 GLN 4 HE21 GLN 4 3.386 -9.189 -3.533 27 HE22 GLN 4 HE22 GLN 4 3.170 -10.648 -4.418 28 H GLU 5 HN GLU 5 6.876 -10.617 -2.770 29 HA GLU 5 HA GLU 5 4.215 -11.275 -2.226 30 HB2 GLU 5 HB2 GLU 5 6.748 -12.828 -1.726 31 HB3 GLU 5 HB1 GLU 5 5.147 -13.497 -1.444 32 HG2 GLU 5 HG2 GLU 5 6.079 -12.412 -4.089 33 HG3 GLU 5 HG1 GLU 5 6.164 -14.107 -3.628 34 H GLU 6 HN GLU 6 6.682 -10.157 -0.118 35 HA GLU 6 HA GLU 6 5.193 -10.915 2.230 36 HB2 GLU 6 HB2 GLU 6 7.819 -10.749 2.008 37 HB3 GLU 6 HB1 GLU 6 7.551 -9.052 2.140 38 HG2 GLU 6 HG2 GLU 6 8.089 -10.047 4.292 39 HG3 GLU 6 HG1 GLU 6 6.489 -9.293 4.274 40 H ILE 7 HN ILE 7 5.668 -8.171 0.069 41 HA ILE 7 HA ILE 7 4.728 -6.176 1.873 42 HB ILE 7 HB ILE 7 5.169 -6.200 -1.121 43 HG12 ILE 7 HG12 ILE 7 6.758 -4.900 1.088 44 HG13 ILE 7 HG11 ILE 7 7.148 -6.461 0.374 45 HG21 ILE 7 HG21 ILE 7 4.546 -3.854 0.683 46 HG22 ILE 7 HG22 ILE 7 3.480 -4.519 -0.552 47 HG23 ILE 7 HG23 ILE 7 4.995 -3.749 -1.018 48 HD11 ILE 7 HD11 ILE 7 7.523 -5.445 -1.749 49 HD12 ILE 7 HD12 ILE 7 8.467 -4.576 -0.500 50 HD13 ILE 7 HD13 ILE 7 6.981 -3.884 -1.141 51 H VAL 8 HN VAL 8 3.376 -7.271 -1.214 52 HA VAL 8 HA VAL 8 0.833 -6.234 -0.843 53 HB VAL 8 HB VAL 8 1.607 -8.705 -2.391 54 HG11 VAL 8 HG11 VAL 8 -0.393 -8.234 -3.780 55 HG12 VAL 8 HG12 VAL 8 -0.803 -6.891 -2.714 56 HG13 VAL 8 HG13 VAL 8 -0.839 -8.545 -2.100 57 HG21 VAL 8 HG21 VAL 8 1.441 -5.842 -3.244 58 HG22 VAL 8 HG22 VAL 8 1.739 -7.211 -4.321 59 HG23 VAL 8 HG23 VAL 8 2.895 -6.807 -3.049 60 H ALA 9 HN ALA 9 1.969 -9.396 0.207 61 HA ALA 9 HA ALA 9 -0.528 -10.271 0.990 62 HB1 ALA 9 HB1 ALA 9 1.363 -11.777 0.820 63 HB2 ALA 9 HB2 ALA 9 0.633 -11.890 2.424 64 HB3 ALA 9 HB3 ALA 9 2.135 -10.992 2.196 65 H GLY 10 HN GLY 10 1.914 -8.341 2.656 66 HA2 GLY 10 HA2 GLY 10 0.553 -8.339 5.159 67 HA3 GLY 10 HA1 GLY 10 1.988 -7.424 4.745 68 H LEU 11 HN LEU 11 0.859 -6.260 2.420 69 HA LEU 11 HA LEU 11 -0.268 -3.943 3.555 70 HB2 LEU 11 HB2 LEU 11 0.995 -4.575 1.213 71 HB3 LEU 11 HB1 LEU 11 -0.661 -4.468 0.696 72 HG LEU 11 HG LEU 11 0.866 -2.238 2.052 73 HD11 LEU 11 HD11 LEU 11 0.791 -1.190 -0.156 74 HD12 LEU 11 HD12 LEU 11 0.044 -2.642 -0.823 75 HD13 LEU 11 HD13 LEU 11 1.685 -2.707 -0.181 76 HD21 LEU 11 HD21 LEU 11 -1.488 -2.100 2.554 77 HD22 LEU 11 HD22 LEU 11 -1.899 -2.356 0.869 78 HD23 LEU 11 HD23 LEU 11 -1.081 -0.864 1.357 79 H ALA 12 HN ALA 12 -1.520 -6.705 1.753 80 HA ALA 12 HA ALA 12 -4.195 -5.994 1.537 81 HB1 ALA 12 HB1 ALA 12 -3.274 -8.006 0.503 82 HB2 ALA 12 HB2 ALA 12 -4.656 -8.390 1.540 83 HB3 ALA 12 HB3 ALA 12 -3.021 -8.713 2.103 84 H GLU 13 HN GLU 13 -2.484 -7.682 4.128 85 HA GLU 13 HA GLU 13 -4.656 -7.958 5.831 86 HB2 GLU 13 HB2 GLU 13 -1.736 -7.838 6.492 87 HB3 GLU 13 HB1 GLU 13 -2.996 -8.341 7.612 88 HG2 GLU 13 HG2 GLU 13 -3.618 -10.108 6.035 89 HG3 GLU 13 HG1 GLU 13 -2.236 -9.670 5.038 90 H ILE 14 HN ILE 14 -2.289 -5.408 5.688 91 HA ILE 14 HA ILE 14 -3.158 -3.823 7.826 92 HB ILE 14 HB ILE 14 -2.128 -2.977 5.104 93 HG12 ILE 14 HG12 ILE 14 -0.645 -3.016 7.702 94 HG13 ILE 14 HG11 ILE 14 -0.761 -4.456 6.710 95 HG21 ILE 14 HG21 ILE 14 -3.296 -1.111 6.181 96 HG22 ILE 14 HG22 ILE 14 -1.553 -0.841 6.158 97 HG23 ILE 14 HG23 ILE 14 -2.344 -1.358 7.648 98 HD11 ILE 14 HD11 ILE 14 0.250 -3.292 4.893 99 HD12 ILE 14 HD12 ILE 14 1.282 -3.299 6.327 100 HD13 ILE 14 HD13 ILE 14 0.390 -1.830 5.873 101 H VAL 15 HN VAL 15 -4.386 -4.064 4.545 102 HA VAL 15 HA VAL 15 -6.230 -1.916 4.745 103 HB VAL 15 HB VAL 15 -6.078 -4.226 2.778 104 HG11 VAL 15 HG11 VAL 15 -7.685 -1.696 2.653 105 HG12 VAL 15 HG12 VAL 15 -8.319 -3.333 2.869 106 HG13 VAL 15 HG13 VAL 15 -7.515 -2.886 1.364 107 HG21 VAL 15 HG21 VAL 15 -5.174 -2.577 1.273 108 HG22 VAL 15 HG22 VAL 15 -4.181 -2.748 2.734 109 HG23 VAL 15 HG23 VAL 15 -5.266 -1.357 2.553 110 H ASN 16 HN ASN 16 -6.219 -5.180 5.588 111 HA ASN 16 HA ASN 16 -9.089 -5.563 5.723 112 HB2 ASN 16 HB2 ASN 16 -7.132 -7.270 7.330 113 HB3 ASN 16 HB1 ASN 16 -8.726 -7.663 6.742 114 HD21 ASN 16 HD21 ASN 16 -8.158 -6.685 4.135 115 HD22 ASN 16 HD22 ASN 16 -7.011 -7.801 3.417 116 H GLU 17 HN GLU 17 -6.487 -4.814 7.942 117 HA GLU 17 HA GLU 17 -8.067 -4.712 10.299 118 HB2 GLU 17 HB2 GLU 17 -5.387 -3.448 9.722 119 HB3 GLU 17 HB1 GLU 17 -6.095 -3.685 11.314 120 HG2 GLU 17 HG2 GLU 17 -5.992 -6.094 11.010 121 HG3 GLU 17 HG1 GLU 17 -5.319 -5.863 9.395 122 H ILE 18 HN ILE 18 -6.746 -2.229 8.166 123 HA ILE 18 HA ILE 18 -7.715 0.004 9.604 124 HB ILE 18 HB ILE 18 -6.936 -0.264 6.690 125 HG12 ILE 18 HG12 ILE 18 -5.214 -0.788 8.430 126 HG13 ILE 18 HG11 ILE 18 -4.754 0.487 7.324 127 HG21 ILE 18 HG21 ILE 18 -8.338 1.697 6.990 128 HG22 ILE 18 HG22 ILE 18 -6.668 2.177 6.691 129 HG23 ILE 18 HG23 ILE 18 -7.326 2.241 8.327 130 HD11 ILE 18 HD11 ILE 18 -5.356 2.113 9.126 131 HD12 ILE 18 HD12 ILE 18 -4.082 0.990 9.602 132 HD13 ILE 18 HD13 ILE 18 -5.732 0.748 10.182 133 H ALA 19 HN ALA 19 -8.975 -1.586 6.645 134 HA ALA 19 HA ALA 19 -11.426 -0.030 7.055 135 HB1 ALA 19 HB1 ALA 19 -10.240 0.589 4.999 136 HB2 ALA 19 HB2 ALA 19 -11.818 -0.123 4.652 137 HB3 ALA 19 HB3 ALA 19 -10.353 -1.080 4.437 138 H GLY 20 HN GLY 20 -10.802 -2.867 5.048 139 HA2 GLY 20 HA2 GLY 20 -11.823 -4.878 6.547 140 HA3 GLY 20 HA1 GLY 20 -13.260 -4.042 5.980 141 H ILE 21 HN ILE 21 -10.236 -4.587 4.293 142 HA ILE 21 HA ILE 21 -11.686 -5.790 2.119 143 HB ILE 21 HB ILE 21 -8.976 -4.760 2.519 144 HG12 ILE 21 HG12 ILE 21 -9.203 -4.097 0.132 145 HG13 ILE 21 HG11 ILE 21 -10.730 -4.975 0.083 146 HG21 ILE 21 HG21 ILE 21 -7.873 -6.006 0.691 147 HG22 ILE 21 HG22 ILE 21 -9.203 -7.167 0.721 148 HG23 ILE 21 HG23 ILE 21 -8.177 -6.961 2.131 149 HD11 ILE 21 HD11 ILE 21 -10.125 -2.609 1.835 150 HD12 ILE 21 HD12 ILE 21 -11.676 -3.442 1.704 151 HD13 ILE 21 HD13 ILE 21 -11.013 -2.565 0.316 152 HA PRO 22 HA PRO 22 -11.182 -9.918 3.551 153 HB2 PRO 22 HB2 PRO 22 -11.490 -10.789 0.830 154 HB3 PRO 22 HB1 PRO 22 -12.721 -10.825 2.146 155 HG2 PRO 22 HG2 PRO 22 -12.965 -9.255 -0.060 156 HG3 PRO 22 HG1 PRO 22 -13.487 -8.692 1.543 157 HD2 PRO 22 HD2 PRO 22 -10.904 -8.193 0.154 158 HD3 PRO 22 HD1 PRO 22 -11.986 -6.996 0.880 159 H VAL 23 HN VAL 23 -8.657 -8.746 2.785 160 HA VAL 23 HA VAL 23 -6.523 -9.073 2.115 161 HB VAL 23 HB VAL 23 -6.739 -10.709 4.011 162 HG11 VAL 23 HG11 VAL 23 -8.074 -12.432 3.047 163 HG12 VAL 23 HG12 VAL 23 -6.543 -13.106 3.608 164 HG13 VAL 23 HG13 VAL 23 -6.806 -12.822 1.886 165 HG21 VAL 23 HG21 VAL 23 -4.543 -10.082 3.233 166 HG22 VAL 23 HG22 VAL 23 -4.594 -11.328 1.985 167 HG23 VAL 23 HG23 VAL 23 -4.548 -11.787 3.688 168 H GLU 24 HN GLU 24 -8.677 -10.843 0.253 169 HA GLU 24 HA GLU 24 -6.759 -11.770 -1.718 170 HB2 GLU 24 HB2 GLU 24 -9.756 -11.778 -1.600 171 HB3 GLU 24 HB1 GLU 24 -8.818 -12.490 -2.905 172 HG2 GLU 24 HG2 GLU 24 -8.566 -13.279 -0.029 173 HG3 GLU 24 HG1 GLU 24 -9.617 -14.092 -1.201 174 H ASP 25 HN ASP 25 -8.670 -9.022 -1.167 175 HA ASP 25 HA ASP 25 -9.223 -8.376 -3.912 176 HB2 ASP 25 HB2 ASP 25 -10.475 -7.653 -1.733 177 HB3 ASP 25 HB1 ASP 25 -9.284 -6.390 -1.690 178 H VAL 26 HN VAL 26 -6.836 -7.645 -1.620 179 HA VAL 26 HA VAL 26 -5.734 -5.355 -3.036 180 HB VAL 26 HB VAL 26 -4.460 -6.852 -0.729 181 HG11 VAL 26 HG11 VAL 26 -3.321 -4.745 -0.319 182 HG12 VAL 26 HG12 VAL 26 -4.132 -4.061 -1.745 183 HG13 VAL 26 HG13 VAL 26 -2.955 -5.360 -1.948 184 HG21 VAL 26 HG21 VAL 26 -6.676 -6.108 -0.099 185 HG22 VAL 26 HG22 VAL 26 -6.301 -4.480 -0.660 186 HG23 VAL 26 HG23 VAL 26 -5.435 -5.162 0.719 187 H LYS 27 HN LYS 27 -5.063 -6.028 -5.034 188 HA LYS 27 HA LYS 27 -2.747 -7.819 -5.085 189 HB2 LYS 27 HB2 LYS 27 -5.257 -8.009 -6.520 190 HB3 LYS 27 HB1 LYS 27 -3.932 -7.757 -7.649 191 HG2 LYS 27 HG2 LYS 27 -4.391 -10.129 -7.335 192 HG3 LYS 27 HG1 LYS 27 -2.783 -9.711 -6.748 193 HD2 LYS 27 HD2 LYS 27 -3.736 -9.589 -4.443 194 HD3 LYS 27 HD1 LYS 27 -5.261 -10.193 -5.096 195 HE2 LYS 27 HE2 LYS 27 -4.172 -12.217 -5.847 196 HE3 LYS 27 HE1 LYS 27 -2.607 -11.625 -5.275 197 HZ1 LYS 27 HZ1 LYS 27 -4.980 -12.413 -3.718 198 HZ2 LYS 27 HZ2 LYS 27 -3.692 -11.582 -3.005 199 HZ3 LYS 27 HZ3 LYS 27 -3.451 -13.106 -3.659 200 H LEU 28 HN LEU 28 -1.222 -7.235 -6.805 201 HA LEU 28 HA LEU 28 -0.539 -4.536 -6.927 202 HB2 LEU 28 HB2 LEU 28 0.068 -6.775 -8.864 203 HB3 LEU 28 HB1 LEU 28 0.860 -5.222 -8.851 204 HG LEU 28 HG LEU 28 1.000 -7.190 -6.566 205 HD11 LEU 28 HD11 LEU 28 2.007 -8.114 -8.601 206 HD12 LEU 28 HD12 LEU 28 3.239 -7.700 -7.406 207 HD13 LEU 28 HD13 LEU 28 2.965 -6.644 -8.793 208 HD21 LEU 28 HD21 LEU 28 1.399 -4.861 -5.962 209 HD22 LEU 28 HD22 LEU 28 2.600 -4.731 -7.247 210 HD23 LEU 28 HD23 LEU 28 2.882 -5.808 -5.879 211 H ASP 29 HN ASP 29 -0.915 -2.977 -8.254 212 HA ASP 29 HA ASP 29 -1.649 -1.667 -9.912 213 HB2 ASP 29 HB2 ASP 29 -1.021 -3.599 -11.436 214 HB3 ASP 29 HB1 ASP 29 -2.706 -4.096 -11.287 215 H LYS 30 HN LYS 30 -3.320 -3.062 -7.745 216 HA LYS 30 HA LYS 30 -5.947 -2.157 -8.664 217 HB2 LYS 30 HB2 LYS 30 -5.212 -3.519 -6.082 218 HB3 LYS 30 HB1 LYS 30 -6.758 -2.865 -6.651 219 HG2 LYS 30 HG2 LYS 30 -5.369 -5.039 -8.159 220 HG3 LYS 30 HG1 LYS 30 -6.366 -5.377 -6.734 221 HD2 LYS 30 HD2 LYS 30 -8.232 -4.164 -7.819 222 HD3 LYS 30 HD1 LYS 30 -7.238 -3.990 -9.267 223 HE2 LYS 30 HE2 LYS 30 -7.078 -6.402 -9.457 224 HE3 LYS 30 HE1 LYS 30 -8.019 -6.587 -7.978 225 HZ1 LYS 30 HZ1 LYS 30 -9.923 -5.604 -9.078 226 HZ2 LYS 30 HZ2 LYS 30 -9.339 -6.882 -10.036 227 HZ3 LYS 30 HZ3 LYS 30 -9.012 -5.278 -10.449 228 H SER 31 HN SER 31 -6.607 -0.445 -8.046 229 HA SER 31 HA SER 31 -5.172 1.415 -6.384 230 HB2 SER 31 HB2 SER 31 -6.362 2.300 -8.266 231 HB3 SER 31 HB1 SER 31 -7.873 1.584 -7.702 232 HG SER 31 HG SER 31 -6.654 3.908 -6.953 233 H PHE 32 HN PHE 32 -5.274 1.366 -4.301 234 HA PHE 32 HA PHE 32 -6.817 -0.130 -2.650 235 HB2 PHE 32 HB2 PHE 32 -5.642 2.566 -2.022 236 HB3 PHE 32 HB1 PHE 32 -6.105 1.339 -0.856 237 HD1 PHE 32 HD2 PHE 32 -4.778 -0.693 -0.600 238 HD2 PHE 32 HD1 PHE 32 -3.586 2.401 -3.267 239 HE1 PHE 32 HE2 PHE 32 -2.506 -1.642 -0.710 240 HE2 PHE 32 HE1 PHE 32 -1.346 1.453 -3.359 241 HZ PHE 32 HZ PHE 32 -0.799 -0.556 -2.098 242 H THR 33 HN THR 33 -7.393 3.408 -3.261 243 HA THR 33 HA THR 33 -9.804 3.555 -1.949 244 HB THR 33 HB THR 33 -9.981 5.521 -3.601 245 HG1 THR 33 HG1 THR 33 -8.571 5.428 -5.134 246 HG21 THR 33 HG21 THR 33 -9.299 5.738 -1.293 247 HG22 THR 33 HG22 THR 33 -8.349 6.783 -2.371 248 HG23 THR 33 HG23 THR 33 -7.644 5.275 -1.749 249 H ASP 34 HN ASP 34 -8.994 3.301 -5.321 250 HA ASP 34 HA ASP 34 -11.718 3.524 -6.161 251 HB2 ASP 34 HB2 ASP 34 -9.071 3.491 -7.456 252 HB3 ASP 34 HB1 ASP 34 -10.519 3.473 -8.421 253 H ASP 35 HN ASP 35 -9.261 1.020 -6.324 254 HA ASP 35 HA ASP 35 -11.053 -0.729 -7.848 255 HB2 ASP 35 HB2 ASP 35 -8.189 -0.799 -7.130 256 HB3 ASP 35 HB1 ASP 35 -8.942 -2.331 -7.449 257 H LEU 36 HN LEU 36 -9.372 -0.571 -4.804 258 HA LEU 36 HA LEU 36 -10.361 -3.102 -3.967 259 HB2 LEU 36 HB2 LEU 36 -9.060 -0.961 -2.301 260 HB3 LEU 36 HB1 LEU 36 -9.253 -2.590 -1.773 261 HG LEU 36 HG LEU 36 -7.333 -1.442 -3.723 262 HD11 LEU 36 HD11 LEU 36 -6.714 -1.519 -1.411 263 HD12 LEU 36 HD12 LEU 36 -5.753 -2.692 -2.324 264 HD13 LEU 36 HD13 LEU 36 -7.120 -3.232 -1.341 265 HD21 LEU 36 HD21 LEU 36 -7.986 -4.364 -3.445 266 HD22 LEU 36 HD22 LEU 36 -6.631 -3.667 -4.350 267 HD23 LEU 36 HD23 LEU 36 -8.289 -3.350 -4.859 268 H ASP 37 HN ASP 37 -10.592 -0.299 -1.949 269 HA ASP 37 HA ASP 37 -13.215 0.462 -1.889 270 HB2 ASP 37 HB2 ASP 37 -13.773 -2.001 -1.578 271 HB3 ASP 37 HB1 ASP 37 -12.932 -1.956 -0.043 272 H VAL 38 HN VAL 38 -10.255 0.752 -0.894 273 HA VAL 38 HA VAL 38 -10.478 0.989 1.966 274 HB VAL 38 HB VAL 38 -8.222 1.983 0.236 275 HG11 VAL 38 HG11 VAL 38 -8.333 1.038 3.095 276 HG12 VAL 38 HG12 VAL 38 -8.180 2.706 2.539 277 HG13 VAL 38 HG13 VAL 38 -6.877 1.556 2.242 278 HG21 VAL 38 HG21 VAL 38 -8.592 -0.802 1.312 279 HG22 VAL 38 HG22 VAL 38 -7.133 -0.181 0.540 280 HG23 VAL 38 HG23 VAL 38 -8.627 -0.326 -0.386 281 H ASP 39 HN ASP 39 -11.284 2.696 2.844 282 HA ASP 39 HA ASP 39 -12.050 4.984 1.499 283 HB2 ASP 39 HB2 ASP 39 -12.999 4.296 3.665 284 HB3 ASP 39 HB1 ASP 39 -11.463 4.730 4.429 285 H SER 40 HN SER 40 -10.956 6.419 0.687 286 HA SER 40 HA SER 40 -8.430 7.177 0.501 287 HB2 SER 40 HB2 SER 40 -10.202 7.954 -0.741 288 HB3 SER 40 HB1 SER 40 -10.855 8.866 0.644 289 H LEU 41 HN LEU 41 -10.377 8.080 3.466 290 HA LEU 41 HA LEU 41 -8.146 9.799 4.104 291 HB2 LEU 41 HB2 LEU 41 -9.381 10.555 6.100 292 HB3 LEU 41 HB1 LEU 41 -10.301 10.761 4.634 293 HG LEU 41 HG LEU 41 -11.514 8.598 5.344 294 HD11 LEU 41 HD11 LEU 41 -11.631 8.196 7.740 295 HD12 LEU 41 HD12 LEU 41 -10.341 9.371 8.003 296 HD13 LEU 41 HD13 LEU 41 -10.014 7.888 7.107 297 HD21 LEU 41 HD21 LEU 41 -11.850 11.146 6.888 298 HD22 LEU 41 HD22 LEU 41 -13.054 9.862 6.733 299 HD23 LEU 41 HD23 LEU 41 -12.540 10.768 5.306 300 H SER 42 HN SER 42 -9.373 6.716 5.004 301 HA SER 42 HA SER 42 -7.565 6.286 7.208 302 HB2 SER 42 HB2 SER 42 -9.103 4.297 5.531 303 HB3 SER 42 HB1 SER 42 -8.457 4.043 7.146 304 HG SER 42 HG SER 42 -9.896 5.364 8.012 305 H MET 43 HN MET 43 -7.418 6.301 3.935 306 HA MET 43 HA MET 43 -5.816 4.291 3.046 307 HB2 MET 43 HB2 MET 43 -7.252 5.922 1.835 308 HB3 MET 43 HB1 MET 43 -6.006 7.114 2.085 309 HG2 MET 43 HG2 MET 43 -5.877 6.339 -0.122 310 HG3 MET 43 HG1 MET 43 -4.490 5.701 0.752 311 HE1 MET 43 HE1 MET 43 -5.008 1.965 0.800 312 HE2 MET 43 HE2 MET 43 -5.148 3.091 2.137 313 HE3 MET 43 HE3 MET 43 -3.875 3.320 0.924 314 H VAL 44 HN VAL 44 -5.128 7.429 4.392 315 HA VAL 44 HA VAL 44 -2.415 7.492 3.781 316 HB VAL 44 HB VAL 44 -3.859 8.984 6.006 317 HG11 VAL 44 HG11 VAL 44 -1.186 9.583 4.739 318 HG12 VAL 44 HG12 VAL 44 -1.443 9.005 6.387 319 HG13 VAL 44 HG13 VAL 44 -2.021 10.601 5.911 320 HG21 VAL 44 HG21 VAL 44 -3.955 10.833 4.398 321 HG22 VAL 44 HG22 VAL 44 -4.785 9.396 3.782 322 HG23 VAL 44 HG23 VAL 44 -3.178 9.809 3.189 323 H GLU 45 HN GLU 45 -4.174 5.915 6.354 324 HA GLU 45 HA GLU 45 -1.934 5.502 8.133 325 HB2 GLU 45 HB2 GLU 45 -4.562 4.038 7.926 326 HB3 GLU 45 HB1 GLU 45 -3.387 3.829 9.208 327 HG2 GLU 45 HG2 GLU 45 -4.898 6.361 8.617 328 HG3 GLU 45 HG1 GLU 45 -5.257 5.109 9.824 329 H VAL 46 HN VAL 46 -3.590 3.739 5.629 330 HA VAL 46 HA VAL 46 -2.492 1.207 5.976 331 HB VAL 46 HB VAL 46 -3.378 2.431 3.355 332 HG11 VAL 46 HG11 VAL 46 -2.259 0.296 3.080 333 HG12 VAL 46 HG12 VAL 46 -3.980 0.169 2.714 334 HG13 VAL 46 HG13 VAL 46 -3.361 -0.441 4.246 335 HG21 VAL 46 HG21 VAL 46 -5.108 2.790 4.993 336 HG22 VAL 46 HG22 VAL 46 -5.042 1.097 5.483 337 HG23 VAL 46 HG23 VAL 46 -5.608 1.528 3.867 338 H VAL 47 HN VAL 47 -1.184 3.995 4.619 339 HA VAL 47 HA VAL 47 0.813 2.627 2.948 340 HB VAL 47 HB VAL 47 -0.214 4.797 2.403 341 HG11 VAL 47 HG11 VAL 47 0.761 6.904 3.036 342 HG12 VAL 47 HG12 VAL 47 1.598 6.096 4.342 343 HG13 VAL 47 HG13 VAL 47 -0.178 6.109 4.288 344 HG21 VAL 47 HG21 VAL 47 1.807 5.757 1.291 345 HG22 VAL 47 HG22 VAL 47 1.606 4.016 1.076 346 HG23 VAL 47 HG23 VAL 47 2.771 4.630 2.251 347 H VAL 48 HN VAL 48 0.721 4.568 5.564 348 HA VAL 48 HA VAL 48 3.468 4.418 6.336 349 HB VAL 48 HB VAL 48 1.100 5.030 8.154 350 HG11 VAL 48 HG11 VAL 48 4.040 5.606 8.536 351 HG12 VAL 48 HG12 VAL 48 3.101 4.410 9.430 352 HG13 VAL 48 HG13 VAL 48 2.738 6.126 9.604 353 HG21 VAL 48 HG21 VAL 48 1.255 6.571 6.270 354 HG22 VAL 48 HG22 VAL 48 2.948 6.877 6.634 355 HG23 VAL 48 HG23 VAL 48 1.696 7.387 7.770 356 H ALA 49 HN ALA 49 0.611 2.492 7.186 357 HA ALA 49 HA ALA 49 1.881 1.009 9.081 358 HB1 ALA 49 HB1 ALA 49 -0.529 0.334 7.419 359 HB2 ALA 49 HB2 ALA 49 -0.519 1.160 8.976 360 HB3 ALA 49 HB3 ALA 49 -0.026 -0.531 8.871 361 H ALA 50 HN ALA 50 1.575 0.850 5.658 362 HA ALA 50 HA ALA 50 2.494 -1.769 5.186 363 HB1 ALA 50 HB1 ALA 50 1.296 -0.501 3.452 364 HB2 ALA 50 HB2 ALA 50 2.888 -0.958 2.859 365 HB3 ALA 50 HB3 ALA 50 2.589 0.681 3.405 366 H GLU 51 HN GLU 51 4.200 1.359 4.947 367 HA GLU 51 HA GLU 51 6.580 0.020 4.448 368 HB2 GLU 51 HB2 GLU 51 7.701 2.236 4.688 369 HB3 GLU 51 HB1 GLU 51 6.444 2.101 3.503 370 HG2 GLU 51 HG2 GLU 51 5.920 4.062 4.304 371 HG3 GLU 51 HG1 GLU 51 4.926 3.106 5.396 372 H GLU 52 HN GLU 52 5.274 1.119 7.453 373 HA GLU 52 HA GLU 52 7.406 0.680 9.176 374 HB2 GLU 52 HB2 GLU 52 4.466 0.240 9.450 375 HB3 GLU 52 HB1 GLU 52 5.554 -0.135 10.777 376 HG2 GLU 52 HG2 GLU 52 6.270 2.205 10.775 377 HG3 GLU 52 HG1 GLU 52 5.122 2.524 9.467 378 H ARG 53 HN ARG 53 5.213 -1.569 7.721 379 HA ARG 53 HA ARG 53 6.073 -3.784 9.349 380 HB2 ARG 53 HB2 ARG 53 3.713 -3.492 8.665 381 HB3 ARG 53 HB1 ARG 53 4.186 -3.701 6.993 382 HG2 ARG 53 HG2 ARG 53 4.862 -6.008 7.469 383 HG3 ARG 53 HG1 ARG 53 4.419 -5.788 9.163 384 HD2 ARG 53 HD2 ARG 53 2.556 -5.541 6.807 385 HD3 ARG 53 HD1 ARG 53 2.612 -6.944 7.855 386 HE ARG 53 HE ARG 53 2.052 -4.336 9.080 387 HH11 ARG 53 HH11 ARG 53 0.721 -7.485 8.061 388 HH12 ARG 53 HH12 ARG 53 -0.759 -7.222 8.876 389 HH21 ARG 53 HH21 ARG 53 0.056 -4.008 10.093 390 HH22 ARG 53 HH22 ARG 53 -1.194 -5.181 10.013 391 H PHE 54 HN PHE 54 6.440 -2.681 6.025 392 HA PHE 54 HA PHE 54 7.695 -5.184 5.349 393 HB2 PHE 54 HB2 PHE 54 7.447 -2.812 3.514 394 HB3 PHE 54 HB1 PHE 54 7.755 -4.497 3.082 395 HD1 PHE 54 HD2 PHE 54 5.912 -5.895 4.792 396 HD2 PHE 54 HD1 PHE 54 5.418 -2.346 2.536 397 HE1 PHE 54 HE2 PHE 54 3.543 -6.380 4.546 398 HE2 PHE 54 HE1 PHE 54 3.051 -2.815 2.279 399 HZ PHE 54 HZ PHE 54 2.043 -4.670 3.550 400 H ASP 55 HN ASP 55 8.833 -1.800 5.655 401 HA ASP 55 HA ASP 55 11.171 -2.171 6.756 402 HB2 ASP 55 HB2 ASP 55 11.897 -3.782 5.011 403 HB3 ASP 55 HB1 ASP 55 11.761 -2.540 3.787 404 H VAL 56 HN VAL 56 9.731 -0.629 3.991 405 HA VAL 56 HA VAL 56 11.825 1.276 3.617 406 HB VAL 56 HB VAL 56 10.479 0.147 1.826 407 HG11 VAL 56 HG11 VAL 56 8.335 2.035 2.652 408 HG12 VAL 56 HG12 VAL 56 8.320 0.271 2.712 409 HG13 VAL 56 HG13 VAL 56 8.356 1.101 1.158 410 HG21 VAL 56 HG21 VAL 56 10.468 3.142 1.656 411 HG22 VAL 56 HG22 VAL 56 10.354 1.991 0.310 412 HG23 VAL 56 HG23 VAL 56 11.837 2.077 1.273 413 H LYS 57 HN LYS 57 11.178 3.638 3.280 414 HA LYS 57 HA LYS 57 9.269 4.605 5.301 415 HB2 LYS 57 HB2 LYS 57 11.665 5.222 5.735 416 HB3 LYS 57 HB1 LYS 57 11.721 5.935 4.129 417 HG2 LYS 57 HG2 LYS 57 11.182 7.868 5.073 418 HG3 LYS 57 HG1 LYS 57 9.573 7.200 5.337 419 HD2 LYS 57 HD2 LYS 57 11.866 6.928 7.283 420 HD3 LYS 57 HD1 LYS 57 10.659 8.200 7.365 421 HE2 LYS 57 HE2 LYS 57 10.043 5.250 7.495 422 HE3 LYS 57 HE1 LYS 57 10.249 6.286 8.906 423 HZ1 LYS 57 HZ1 LYS 57 8.372 7.673 7.924 424 HZ2 LYS 57 HZ2 LYS 57 7.987 6.161 8.542 425 HZ3 LYS 57 HZ3 LYS 57 8.064 6.335 6.899 426 H ILE 58 HN ILE 58 7.596 5.655 4.374 427 HA ILE 58 HA ILE 58 7.985 6.529 1.587 428 HB ILE 58 HB ILE 58 5.365 5.546 2.792 429 HG12 ILE 58 HG12 ILE 58 7.181 4.198 0.774 430 HG13 ILE 58 HG11 ILE 58 7.042 3.736 2.465 431 HG21 ILE 58 HG21 ILE 58 4.555 5.634 0.473 432 HG22 ILE 58 HG22 ILE 58 6.114 6.276 -0.043 433 HG23 ILE 58 HG23 ILE 58 5.082 7.226 1.028 434 HD11 ILE 58 HD11 ILE 58 4.848 3.606 0.404 435 HD12 ILE 58 HD12 ILE 58 4.701 3.147 2.102 436 HD13 ILE 58 HD13 ILE 58 5.781 2.246 1.041 437 HA PRO 59 HA PRO 59 7.173 10.578 3.496 438 HB2 PRO 59 HB2 PRO 59 7.532 11.931 1.197 439 HB3 PRO 59 HB1 PRO 59 8.919 11.370 2.167 440 HG2 PRO 59 HG2 PRO 59 7.593 10.132 -0.222 441 HG3 PRO 59 HG1 PRO 59 9.342 10.385 0.044 442 HD2 PRO 59 HD2 PRO 59 8.239 7.999 0.454 443 HD3 PRO 59 HD1 PRO 59 9.442 8.625 1.604 444 H ASP 60 HN ASP 60 5.469 12.101 3.245 445 HA ASP 60 HA ASP 60 3.006 11.154 2.438 446 HB2 ASP 60 HB2 ASP 60 2.060 13.340 2.775 447 HB3 ASP 60 HB1 ASP 60 3.329 13.122 3.965 448 H ASP 61 HN ASP 61 5.327 12.879 0.499 449 HA ASP 61 HA ASP 61 3.647 13.379 -1.735 450 HB2 ASP 61 HB2 ASP 61 6.646 13.063 -1.575 451 HB3 ASP 61 HB1 ASP 61 5.808 13.430 -3.068 452 H ASP 62 HN ASP 62 5.986 10.776 -1.140 453 HA ASP 62 HA ASP 62 5.219 9.383 -3.485 454 HB2 ASP 62 HB2 ASP 62 6.935 8.616 -1.178 455 HB3 ASP 62 HB1 ASP 62 6.364 7.371 -2.281 456 H VAL 63 HN VAL 63 4.145 9.241 -0.219 457 HA VAL 63 HA VAL 63 2.528 7.029 -0.159 458 HB VAL 63 HB VAL 63 2.098 9.843 0.923 459 HG11 VAL 63 HG11 VAL 63 0.365 8.948 2.355 460 HG12 VAL 63 HG12 VAL 63 0.491 7.388 1.539 461 HG13 VAL 63 HG13 VAL 63 -0.078 8.805 0.657 462 HG21 VAL 63 HG21 VAL 63 2.860 7.266 2.275 463 HG22 VAL 63 HG22 VAL 63 2.634 8.825 3.067 464 HG23 VAL 63 HG23 VAL 63 3.944 8.608 1.909 465 H LYS 64 HN LYS 64 1.613 10.267 -1.236 466 HA LYS 64 HA LYS 64 -0.897 9.396 -2.277 467 HB2 LYS 64 HB2 LYS 64 -1.230 11.713 -2.959 468 HB3 LYS 64 HB1 LYS 64 -0.637 11.619 -1.308 469 HG2 LYS 64 HG2 LYS 64 1.659 12.085 -2.243 470 HG3 LYS 64 HG1 LYS 64 0.864 12.444 -3.771 471 HD2 LYS 64 HD2 LYS 64 0.456 13.838 -1.136 472 HD3 LYS 64 HD1 LYS 64 1.291 14.472 -2.536 473 HE2 LYS 64 HE2 LYS 64 -1.660 13.773 -2.433 474 HE3 LYS 64 HE1 LYS 64 -0.994 15.402 -2.347 475 HZ1 LYS 64 HZ1 LYS 64 -0.733 13.571 -4.698 476 HZ2 LYS 64 HZ2 LYS 64 -0.163 15.160 -4.596 477 HZ3 LYS 64 HZ3 LYS 64 -1.800 14.872 -4.573 478 H ASN 65 HN ASN 65 2.094 8.899 -3.599 479 HA ASN 65 HA ASN 65 1.299 9.371 -6.347 480 HB2 ASN 65 HB2 ASN 65 3.827 8.444 -5.063 481 HB3 ASN 65 HB1 ASN 65 3.594 8.506 -6.792 482 HD21 ASN 65 HD21 ASN 65 5.612 9.972 -5.340 483 HD22 ASN 65 HD22 ASN 65 5.276 11.646 -5.528 484 H LEU 66 HN LEU 66 1.401 7.016 -3.934 485 HA LEU 66 HA LEU 66 1.449 4.791 -5.759 486 HB2 LEU 66 HB2 LEU 66 0.749 4.819 -2.809 487 HB3 LEU 66 HB1 LEU 66 1.197 3.429 -3.769 488 HG LEU 66 HG LEU 66 3.000 5.655 -2.827 489 HD11 LEU 66 HD11 LEU 66 2.510 4.059 -1.097 490 HD12 LEU 66 HD12 LEU 66 4.179 3.834 -1.650 491 HD13 LEU 66 HD13 LEU 66 2.932 2.720 -2.158 492 HD21 LEU 66 HD21 LEU 66 3.679 3.312 -4.602 493 HD22 LEU 66 HD22 LEU 66 4.837 4.440 -3.896 494 HD23 LEU 66 HD23 LEU 66 3.659 5.008 -5.078 495 H LYS 67 HN LYS 67 -0.385 4.402 -6.818 496 HA LYS 67 HA LYS 67 -2.802 5.164 -5.370 497 HB2 LYS 67 HB2 LYS 67 -4.087 5.573 -7.369 498 HB3 LYS 67 HB1 LYS 67 -2.614 6.517 -7.478 499 HG2 LYS 67 HG2 LYS 67 -3.206 3.941 -8.938 500 HG3 LYS 67 HG1 LYS 67 -3.408 5.550 -9.609 501 HD2 LYS 67 HD2 LYS 67 -0.820 4.303 -8.706 502 HD3 LYS 67 HD1 LYS 67 -1.363 4.462 -10.371 503 HE2 LYS 67 HE2 LYS 67 -1.298 6.897 -10.153 504 HE3 LYS 67 HE1 LYS 67 -0.768 6.729 -8.476 505 HZ1 LYS 67 HZ1 LYS 67 1.129 7.102 -9.922 506 HZ2 LYS 67 HZ2 LYS 67 0.698 5.757 -10.866 507 HZ3 LYS 67 HZ3 LYS 67 1.194 5.522 -9.297 508 H THR 68 HN THR 68 -1.185 2.621 -7.131 509 HA THR 68 HA THR 68 -3.347 0.853 -6.297 510 HB THR 68 HB THR 68 -2.837 -0.556 -8.082 511 HG1 THR 68 HG1 THR 68 -0.742 1.278 -8.774 512 HG21 THR 68 HG21 THR 68 -2.971 2.290 -9.114 513 HG22 THR 68 HG22 THR 68 -4.331 1.239 -8.731 514 HG23 THR 68 HG23 THR 68 -3.284 0.859 -10.100 515 H VAL 69 HN VAL 69 -2.505 -1.346 -6.048 516 HA VAL 69 HA VAL 69 -0.479 -1.318 -4.098 517 HB VAL 69 HB VAL 69 -1.572 -3.695 -5.585 518 HG11 VAL 69 HG11 VAL 69 0.302 -4.269 -4.285 519 HG12 VAL 69 HG12 VAL 69 -1.135 -4.901 -3.474 520 HG13 VAL 69 HG13 VAL 69 -0.324 -3.449 -2.860 521 HG21 VAL 69 HG21 VAL 69 -2.721 -2.283 -3.207 522 HG22 VAL 69 HG22 VAL 69 -3.296 -3.838 -3.877 523 HG23 VAL 69 HG23 VAL 69 -3.374 -2.361 -4.846 524 H GLY 70 HN GLY 70 -0.557 -1.465 -7.473 525 HA2 GLY 70 HA2 GLY 70 1.848 -3.004 -7.841 526 HA3 GLY 70 HA1 GLY 70 1.086 -2.002 -9.084 527 H ASP 71 HN ASP 71 1.047 0.395 -7.666 528 HA ASP 71 HA ASP 71 3.666 1.411 -8.100 529 HB2 ASP 71 HB2 ASP 71 1.524 2.646 -6.361 530 HB3 ASP 71 HB1 ASP 71 2.869 3.478 -7.100 531 H ALA 72 HN ALA 72 1.700 0.904 -5.248 532 HA ALA 72 HA ALA 72 3.358 1.805 -3.228 533 HB1 ALA 72 HB1 ALA 72 0.984 1.090 -2.921 534 HB2 ALA 72 HB2 ALA 72 2.106 0.415 -1.723 535 HB3 ALA 72 HB3 ALA 72 1.550 -0.588 -3.032 536 H THR 73 HN THR 73 2.873 -1.495 -4.097 537 HA THR 73 HA THR 73 4.728 -2.547 -2.444 538 HB THR 73 HB THR 73 3.779 -3.627 -5.072 539 HG1 THR 73 HG1 THR 73 2.013 -3.440 -3.989 540 HG21 THR 73 HG21 THR 73 4.239 -5.779 -4.039 541 HG22 THR 73 HG22 THR 73 4.871 -4.904 -2.616 542 HG23 THR 73 HG23 THR 73 5.698 -4.770 -4.173 543 H LYS 74 HN LYS 74 5.059 -1.871 -5.900 544 HA LYS 74 HA LYS 74 7.641 -2.667 -6.315 545 HB2 LYS 74 HB2 LYS 74 6.238 -2.120 -8.170 546 HB3 LYS 74 HB1 LYS 74 5.852 -0.602 -7.412 547 HG2 LYS 74 HG2 LYS 74 8.673 -0.811 -8.065 548 HG3 LYS 74 HG1 LYS 74 7.617 -0.932 -9.478 549 HD2 LYS 74 HD2 LYS 74 7.344 1.164 -7.370 550 HD3 LYS 74 HD1 LYS 74 8.309 1.444 -8.844 551 HE2 LYS 74 HE2 LYS 74 6.201 0.893 -10.145 552 HE3 LYS 74 HE1 LYS 74 5.334 0.874 -8.614 553 HZ1 LYS 74 HZ1 LYS 74 6.778 3.200 -9.765 554 HZ2 LYS 74 HZ2 LYS 74 5.917 3.252 -8.324 555 HZ3 LYS 74 HZ3 LYS 74 5.115 3.008 -9.787 556 H TYR 75 HN TYR 75 6.358 0.468 -5.311 557 HA TYR 75 HA TYR 75 8.702 1.932 -5.165 558 HB2 TYR 75 HB2 TYR 75 6.357 2.815 -4.961 559 HB3 TYR 75 HB1 TYR 75 6.313 2.106 -3.391 560 HD1 TYR 75 HD1 TYR 75 8.490 4.470 -5.242 561 HD2 TYR 75 HD2 TYR 75 6.871 3.275 -1.505 562 HE1 TYR 75 HE1 TYR 75 9.430 6.453 -4.228 563 HE2 TYR 75 HE2 TYR 75 7.818 5.276 -0.454 564 HH TYR 75 HH TYR 75 9.674 6.881 -0.883 565 H ILE 76 HN ILE 76 6.987 0.207 -2.676 566 HA ILE 76 HA ILE 76 8.544 0.684 -0.485 567 HB ILE 76 HB ILE 76 6.888 -1.730 -1.268 568 HG12 ILE 76 HG12 ILE 76 6.278 0.367 0.770 569 HG13 ILE 76 HG11 ILE 76 5.940 0.623 -0.944 570 HG21 ILE 76 HG21 ILE 76 8.481 -2.432 0.405 571 HG22 ILE 76 HG22 ILE 76 6.864 -2.322 1.114 572 HG23 ILE 76 HG23 ILE 76 8.060 -1.055 1.426 573 HD11 ILE 76 HD11 ILE 76 3.972 -0.168 0.271 574 HD12 ILE 76 HD12 ILE 76 4.871 -1.627 0.757 575 HD13 ILE 76 HD13 ILE 76 4.531 -1.312 -0.949 576 H LEU 77 HN LEU 77 8.652 -2.314 -2.440 577 HA LEU 77 HA LEU 77 10.893 -3.527 -1.421 578 HB2 LEU 77 HB2 LEU 77 9.081 -4.378 -2.932 579 HB3 LEU 77 HB1 LEU 77 9.843 -3.532 -4.245 580 HG LEU 77 HG LEU 77 11.046 -5.875 -2.748 581 HD11 LEU 77 HD11 LEU 77 9.697 -5.631 -5.406 582 HD12 LEU 77 HD12 LEU 77 9.059 -6.435 -3.972 583 HD13 LEU 77 HD13 LEU 77 10.482 -7.098 -4.799 584 HD21 LEU 77 HD21 LEU 77 11.910 -4.554 -5.339 585 HD22 LEU 77 HD22 LEU 77 12.638 -5.984 -4.609 586 HD23 LEU 77 HD23 LEU 77 12.763 -4.422 -3.802 587 H ASP 78 HN ASP 78 10.526 -1.202 -4.033 588 HA ASP 78 HA ASP 78 13.055 -1.480 -5.264 589 HB2 ASP 78 HB2 ASP 78 10.981 -0.475 -6.304 590 HB3 ASP 78 HB1 ASP 78 11.231 0.905 -5.273 591 H HIS 79 HN HIS 79 11.894 0.406 -2.643 592 HA HIS 79 HA HIS 79 14.408 1.845 -2.586 593 HB2 HIS 79 HB2 HIS 79 11.731 2.460 -1.466 594 HB3 HIS 79 HB1 HIS 79 13.153 3.191 -0.749 595 HD1 HIS 79 HD1 HIS 79 14.155 5.186 -1.989 596 HD2 HIS 79 HD2 HIS 79 11.266 3.190 -4.223 597 HE1 HIS 79 HE1 HIS 79 13.679 6.665 -3.951 598 HE2 HIS 79 HE2 HIS 79 11.779 5.588 -5.137 599 H GLN 80 HN GLN 80 13.021 -0.864 -1.006 600 HA GLN 80 HA GLN 80 14.398 -0.380 1.527 601 HB2 GLN 80 HB2 GLN 80 13.836 -3.107 0.676 602 HB3 GLN 80 HB1 GLN 80 13.689 -2.376 2.252 603 HG2 GLN 80 HG2 GLN 80 11.577 -1.433 1.693 604 HG3 GLN 80 HG1 GLN 80 11.735 -2.001 0.024 605 HE21 GLN 80 HE21 GLN 80 9.639 -2.685 1.665 606 HE22 GLN 80 HE22 GLN 80 9.717 -4.406 1.931 607 H ALA 81 HN ALA 81 14.606 -2.330 -1.136 608 HA ALA 81 HA ALA 81 17.265 -3.246 -0.389 609 HB1 ALA 81 HB1 ALA 81 15.629 -4.949 -0.969 610 HB2 ALA 81 HB2 ALA 81 16.994 -4.986 -2.089 611 HB3 ALA 81 HB3 ALA 81 15.463 -4.259 -2.584 612 H1 SYO 101 H1A SYO 101 -3.614 7.003 0.587 613 H1A SYO 101 H1B SYO 101 -1.900 6.847 1.042 614 H2 SYO 101 H2A SYO 101 -1.241 7.311 -1.119 615 H2A SYO 101 H2B SYO 101 -2.893 7.693 -1.674 616 H4 SYO 101 H4A SYO 101 -0.468 5.384 -1.024 617 H4A SYO 101 H4B SYO 101 -1.209 4.452 -2.321 618 H5 SYO 101 H5A SYO 101 -2.254 2.971 -0.724 619 H5A SYO 101 H5B SYO 101 -1.729 4.001 0.618 620 H6 SYO 101 H6A SYO 101 0.595 3.560 0.007 621 H6A SYO 101 H6B SYO 101 0.044 2.486 -1.275 622 H7 SYO 101 H7A SYO 101 -0.940 0.992 0.331 623 H7A SYO 101 H7B SYO 101 -0.527 2.111 1.653 624 H8 SYO 101 H8C SYO 101 1.402 0.756 -0.227 625 H8A SYO 101 H8A SYO 101 1.098 0.292 1.447 626 H8B SYO 101 H8B SYO 101 1.830 1.855 1.086 627 H28 SYO 101 H28A SYO 101 -7.451 11.787 -1.534 628 H28A SYO 101 H28B SYO 101 -7.430 10.140 -2.156 629 H30 SYO 101 H30A SYO 101 -9.314 12.657 -3.726 630 H30A SYO 101 H30B SYO 101 -8.107 13.291 -4.869 631 H30B SYO 101 H30C SYO 101 -7.947 13.583 -3.117 632 H31 SYO 101 H31A SYO 101 -5.734 12.661 -3.139 633 H31A SYO 101 H31B SYO 101 -5.809 12.234 -4.847 634 H31B SYO 101 H31C SYO 101 -5.467 10.992 -3.641 635 H32 SYO 101 H32A SYO 101 -8.931 10.154 -4.500 636 HO33 SYO 101 H33A SYO 101 -7.753 10.479 -6.685 637 HN36 SYO 101 H36A SYO 101 -7.295 9.073 -3.058 638 H37 SYO 101 H37A SYO 101 -5.965 7.233 -2.679 639 H37A SYO 101 H37B SYO 101 -6.400 6.698 -4.314 640 H38 SYO 101 H38A SYO 101 -3.941 6.932 -3.813 641 H38A SYO 101 H38B SYO 101 -4.465 7.883 -5.205 642 HN41 SYO 101 H41A SYO 101 -4.721 8.377 -1.796 643 H42 SYO 101 H42A SYO 101 -2.792 10.521 -1.608 644 H42A SYO 101 H42B SYO 101 -4.463 10.996 -1.570 645 H43 SYO 101 H43A SYO 101 -4.825 9.235 0.206 646 H43A SYO 101 H43B SYO 101 -4.155 10.806 0.603 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 13.263 -7.032 5.406 2 H2 ALA 1 HT2 ALA 1 11.736 -7.509 4.929 3 H3 ALA 1 HT3 ALA 1 11.989 -5.940 5.534 4 HA ALA 1 HA ALA 1 11.808 -5.831 3.130 5 HB1 ALA 1 HB1 ALA 1 14.668 -5.591 4.068 6 HB2 ALA 1 HB2 ALA 1 13.430 -4.341 4.206 7 HB3 ALA 1 HB3 ALA 1 13.990 -4.856 2.615 8 H ALA 2 HN ALA 2 11.583 -7.285 1.576 9 HA ALA 2 HA ALA 2 13.738 -9.089 0.967 10 HB1 ALA 2 HB1 ALA 2 12.466 -11.149 1.218 11 HB2 ALA 2 HB2 ALA 2 11.091 -10.242 1.843 12 HB3 ALA 2 HB3 ALA 2 12.591 -10.309 2.765 13 H THR 3 HN THR 3 10.191 -9.086 0.376 14 HA THR 3 HA THR 3 10.609 -8.347 -2.343 15 HB THR 3 HB THR 3 11.307 -10.687 -2.439 16 HG1 THR 3 HG1 THR 3 9.240 -11.405 -3.783 17 HG21 THR 3 HG21 THR 3 9.725 -12.516 -1.941 18 HG22 THR 3 HG22 THR 3 8.572 -11.331 -1.325 19 HG23 THR 3 HG23 THR 3 10.120 -11.563 -0.510 20 H GLN 4 HN GLN 4 8.547 -8.547 -3.566 21 HA GLN 4 HA GLN 4 6.408 -7.161 -2.564 22 HB2 GLN 4 HB2 GLN 4 6.788 -7.383 -4.918 23 HB3 GLN 4 HB1 GLN 4 6.562 -9.118 -4.846 24 HG2 GLN 4 HG2 GLN 4 4.275 -7.499 -3.949 25 HG3 GLN 4 HG1 GLN 4 4.682 -7.339 -5.645 26 HE21 GLN 4 HE21 GLN 4 3.382 -9.443 -3.157 27 HE22 GLN 4 HE22 GLN 4 2.858 -10.688 -4.198 28 H GLU 5 HN GLU 5 6.875 -10.611 -2.630 29 HA GLU 5 HA GLU 5 4.341 -11.470 -2.001 30 HB2 GLU 5 HB2 GLU 5 7.007 -12.667 -1.260 31 HB3 GLU 5 HB1 GLU 5 5.481 -13.483 -0.980 32 HG2 GLU 5 HG2 GLU 5 6.464 -14.355 -2.979 33 HG3 GLU 5 HG1 GLU 5 5.045 -13.419 -3.414 34 H GLU 6 HN GLU 6 6.786 -10.207 0.144 35 HA GLU 6 HA GLU 6 5.295 -10.798 2.563 36 HB2 GLU 6 HB2 GLU 6 7.798 -10.737 2.463 37 HB3 GLU 6 HB1 GLU 6 7.716 -9.033 2.098 38 HG2 GLU 6 HG2 GLU 6 8.263 -9.304 4.422 39 HG3 GLU 6 HG1 GLU 6 6.636 -8.642 4.303 40 H ILE 7 HN ILE 7 5.667 -8.185 0.275 41 HA ILE 7 HA ILE 7 4.802 -6.058 1.977 42 HB ILE 7 HB ILE 7 4.975 -6.280 -1.032 43 HG12 ILE 7 HG12 ILE 7 6.883 -5.009 0.913 44 HG13 ILE 7 HG11 ILE 7 7.067 -6.648 0.299 45 HG21 ILE 7 HG21 ILE 7 4.989 -3.822 -0.991 46 HG22 ILE 7 HG22 ILE 7 4.737 -3.851 0.755 47 HG23 ILE 7 HG23 ILE 7 3.489 -4.469 -0.327 48 HD11 ILE 7 HD11 ILE 7 7.041 -4.122 -1.332 49 HD12 ILE 7 HD12 ILE 7 7.239 -5.757 -1.968 50 HD13 ILE 7 HD13 ILE 7 8.465 -5.067 -0.902 51 H VAL 8 HN VAL 8 3.359 -7.287 -1.002 52 HA VAL 8 HA VAL 8 0.807 -6.361 -0.592 53 HB VAL 8 HB VAL 8 1.700 -8.802 -2.143 54 HG11 VAL 8 HG11 VAL 8 -0.890 -7.267 -2.359 55 HG12 VAL 8 HG12 VAL 8 -0.709 -8.906 -1.733 56 HG13 VAL 8 HG13 VAL 8 -0.360 -8.566 -3.428 57 HG21 VAL 8 HG21 VAL 8 1.625 -7.284 -4.043 58 HG22 VAL 8 HG22 VAL 8 2.763 -6.750 -2.806 59 HG23 VAL 8 HG23 VAL 8 1.198 -5.961 -2.958 60 H ALA 9 HN ALA 9 2.084 -9.402 0.621 61 HA ALA 9 HA ALA 9 -0.356 -10.380 1.515 62 HB1 ALA 9 HB1 ALA 9 2.366 -10.764 2.763 63 HB2 ALA 9 HB2 ALA 9 1.661 -11.749 1.480 64 HB3 ALA 9 HB3 ALA 9 0.943 -11.753 3.092 65 H GLY 10 HN GLY 10 1.985 -8.171 2.970 66 HA2 GLY 10 HA2 GLY 10 0.767 -7.991 5.518 67 HA3 GLY 10 HA1 GLY 10 2.067 -7.041 4.867 68 H LEU 11 HN LEU 11 0.898 -6.139 2.606 69 HA LEU 11 HA LEU 11 -0.297 -3.816 3.591 70 HB2 LEU 11 HB2 LEU 11 1.037 -4.601 1.348 71 HB3 LEU 11 HB1 LEU 11 -0.600 -4.437 0.750 72 HG LEU 11 HG LEU 11 1.029 -2.284 2.098 73 HD11 LEU 11 HD11 LEU 11 1.008 -1.229 -0.113 74 HD12 LEU 11 HD12 LEU 11 0.169 -2.632 -0.775 75 HD13 LEU 11 HD13 LEU 11 1.808 -2.799 -0.146 76 HD21 LEU 11 HD21 LEU 11 -1.730 -2.240 0.927 77 HD22 LEU 11 HD22 LEU 11 -0.818 -0.804 1.408 78 HD23 LEU 11 HD23 LEU 11 -1.293 -2.003 2.616 79 H ALA 12 HN ALA 12 -1.525 -6.709 1.950 80 HA ALA 12 HA ALA 12 -4.189 -5.923 1.629 81 HB1 ALA 12 HB1 ALA 12 -3.119 -8.684 2.235 82 HB2 ALA 12 HB2 ALA 12 -3.262 -7.970 0.628 83 HB3 ALA 12 HB3 ALA 12 -4.709 -8.309 1.579 84 H GLU 13 HN GLU 13 -2.521 -7.417 4.343 85 HA GLU 13 HA GLU 13 -4.737 -7.727 6.027 86 HB2 GLU 13 HB2 GLU 13 -1.837 -7.354 6.704 87 HB3 GLU 13 HB1 GLU 13 -3.076 -7.774 7.877 88 HG2 GLU 13 HG2 GLU 13 -3.556 -9.793 6.688 89 HG3 GLU 13 HG1 GLU 13 -2.372 -9.368 5.453 90 H ILE 14 HN ILE 14 -2.480 -5.118 5.673 91 HA ILE 14 HA ILE 14 -3.479 -3.461 7.730 92 HB ILE 14 HB ILE 14 -2.254 -2.587 5.080 93 HG12 ILE 14 HG12 ILE 14 -0.862 -2.841 7.718 94 HG13 ILE 14 HG11 ILE 14 -1.018 -4.238 6.667 95 HG21 ILE 14 HG21 ILE 14 -3.410 -0.796 6.249 96 HG22 ILE 14 HG22 ILE 14 -1.658 -0.580 6.283 97 HG23 ILE 14 HG23 ILE 14 -2.504 -1.170 7.718 98 HD11 ILE 14 HD11 ILE 14 1.095 -3.144 6.389 99 HD12 ILE 14 HD12 ILE 14 0.273 -1.636 5.957 100 HD13 ILE 14 HD13 ILE 14 0.121 -3.064 4.926 101 H VAL 15 HN VAL 15 -4.465 -3.856 4.384 102 HA VAL 15 HA VAL 15 -6.387 -1.748 4.508 103 HB VAL 15 HB VAL 15 -6.178 -3.919 2.378 104 HG11 VAL 15 HG11 VAL 15 -7.432 -1.183 2.315 105 HG12 VAL 15 HG12 VAL 15 -8.293 -2.724 2.365 106 HG13 VAL 15 HG13 VAL 15 -7.321 -2.299 0.953 107 HG21 VAL 15 HG21 VAL 15 -4.077 -2.711 2.559 108 HG22 VAL 15 HG22 VAL 15 -4.935 -1.175 2.425 109 HG23 VAL 15 HG23 VAL 15 -4.917 -2.296 1.064 110 H ASN 16 HN ASN 16 -6.340 -5.046 5.320 111 HA ASN 16 HA ASN 16 -9.171 -5.585 5.351 112 HB2 ASN 16 HB2 ASN 16 -7.004 -6.851 7.081 113 HB3 ASN 16 HB1 ASN 16 -8.636 -7.422 6.885 114 HD21 ASN 16 HD21 ASN 16 -8.675 -7.154 4.054 115 HD22 ASN 16 HD22 ASN 16 -7.610 -8.393 3.443 116 H GLU 17 HN GLU 17 -6.728 -4.817 7.751 117 HA GLU 17 HA GLU 17 -8.526 -4.716 9.916 118 HB2 GLU 17 HB2 GLU 17 -5.644 -3.922 9.664 119 HB3 GLU 17 HB1 GLU 17 -6.532 -3.983 11.185 120 HG2 GLU 17 HG2 GLU 17 -6.906 -6.350 10.918 121 HG3 GLU 17 HG1 GLU 17 -6.148 -6.323 9.329 122 H ILE 18 HN ILE 18 -6.821 -2.108 8.130 123 HA ILE 18 HA ILE 18 -7.995 -0.156 9.806 124 HB ILE 18 HB ILE 18 -6.624 0.226 7.118 125 HG12 ILE 18 HG12 ILE 18 -5.686 0.185 9.981 126 HG13 ILE 18 HG11 ILE 18 -5.141 -0.776 8.635 127 HG21 ILE 18 HG21 ILE 18 -8.066 2.115 7.674 128 HG22 ILE 18 HG22 ILE 18 -6.362 2.547 7.805 129 HG23 ILE 18 HG23 ILE 18 -7.307 2.233 9.263 130 HD11 ILE 18 HD11 ILE 18 -3.504 0.899 9.222 131 HD12 ILE 18 HD12 ILE 18 -4.712 2.154 8.906 132 HD13 ILE 18 HD13 ILE 18 -4.134 1.138 7.581 133 H ALA 19 HN ALA 19 -8.609 -1.117 6.429 134 HA ALA 19 HA ALA 19 -11.011 0.528 6.482 135 HB1 ALA 19 HB1 ALA 19 -9.567 0.707 4.507 136 HB2 ALA 19 HB2 ALA 19 -11.178 0.126 4.085 137 HB3 ALA 19 HB3 ALA 19 -9.827 -1.003 4.167 138 H GLY 20 HN GLY 20 -10.553 -2.541 4.898 139 HA2 GLY 20 HA2 GLY 20 -11.806 -4.363 6.398 140 HA3 GLY 20 HA1 GLY 20 -13.171 -3.421 5.826 141 H ILE 21 HN ILE 21 -10.244 -4.176 4.163 142 HA ILE 21 HA ILE 21 -11.740 -5.187 1.938 143 HB ILE 21 HB ILE 21 -9.198 -4.030 2.452 144 HG12 ILE 21 HG12 ILE 21 -9.186 -3.720 -0.008 145 HG13 ILE 21 HG11 ILE 21 -10.630 -4.744 -0.067 146 HG21 ILE 21 HG21 ILE 21 -8.870 -6.622 0.954 147 HG22 ILE 21 HG22 ILE 21 -8.110 -6.158 2.468 148 HG23 ILE 21 HG23 ILE 21 -7.694 -5.311 0.990 149 HD11 ILE 21 HD11 ILE 21 -10.391 -2.137 1.405 150 HD12 ILE 21 HD12 ILE 21 -11.827 -3.159 1.308 151 HD13 ILE 21 HD13 ILE 21 -11.194 -2.383 -0.145 152 HA PRO 22 HA PRO 22 -10.741 -9.415 3.088 153 HB2 PRO 22 HB2 PRO 22 -11.175 -10.453 0.477 154 HB3 PRO 22 HB1 PRO 22 -12.381 -10.278 1.760 155 HG2 PRO 22 HG2 PRO 22 -12.356 -8.881 -0.674 156 HG3 PRO 22 HG1 PRO 22 -13.334 -8.488 0.753 157 HD2 PRO 22 HD2 PRO 22 -10.710 -7.350 -0.124 158 HD3 PRO 22 HD1 PRO 22 -12.071 -6.514 0.637 159 H VAL 23 HN VAL 23 -8.927 -10.756 2.938 160 HA VAL 23 HA VAL 23 -6.662 -9.392 1.966 161 HB VAL 23 HB VAL 23 -6.706 -10.481 4.161 162 HG11 VAL 23 HG11 VAL 23 -6.611 -13.101 2.723 163 HG12 VAL 23 HG12 VAL 23 -7.913 -12.470 3.729 164 HG13 VAL 23 HG13 VAL 23 -6.356 -12.879 4.453 165 HG21 VAL 23 HG21 VAL 23 -4.448 -11.494 2.425 166 HG22 VAL 23 HG22 VAL 23 -4.427 -11.450 4.188 167 HG23 VAL 23 HG23 VAL 23 -4.521 -9.947 3.270 168 H GLU 24 HN GLU 24 -7.965 -10.023 -0.187 169 HA GLU 24 HA GLU 24 -6.056 -11.579 -1.751 170 HB2 GLU 24 HB2 GLU 24 -8.935 -12.289 -1.503 171 HB3 GLU 24 HB1 GLU 24 -8.215 -12.399 -3.100 172 HG2 GLU 24 HG2 GLU 24 -7.131 -13.774 -0.655 173 HG3 GLU 24 HG1 GLU 24 -8.224 -14.522 -1.823 174 H ASP 25 HN ASP 25 -8.332 -9.057 -1.413 175 HA ASP 25 HA ASP 25 -8.596 -8.399 -4.169 176 HB2 ASP 25 HB2 ASP 25 -9.304 -7.008 -1.612 177 HB3 ASP 25 HB1 ASP 25 -9.396 -6.157 -3.147 178 H VAL 26 HN VAL 26 -6.471 -7.430 -1.618 179 HA VAL 26 HA VAL 26 -5.390 -5.162 -3.025 180 HB VAL 26 HB VAL 26 -4.231 -6.620 -0.632 181 HG11 VAL 26 HG11 VAL 26 -3.127 -4.485 -0.164 182 HG12 VAL 26 HG12 VAL 26 -3.783 -3.829 -1.674 183 HG13 VAL 26 HG13 VAL 26 -2.627 -5.152 -1.723 184 HG21 VAL 26 HG21 VAL 26 -6.489 -5.897 -0.157 185 HG22 VAL 26 HG22 VAL 26 -6.098 -4.270 -0.714 186 HG23 VAL 26 HG23 VAL 26 -5.322 -4.920 0.730 187 H LYS 27 HN LYS 27 -4.632 -5.894 -4.971 188 HA LYS 27 HA LYS 27 -2.175 -7.455 -4.832 189 HB2 LYS 27 HB2 LYS 27 -4.397 -7.717 -6.863 190 HB3 LYS 27 HB1 LYS 27 -2.819 -8.459 -7.046 191 HG2 LYS 27 HG2 LYS 27 -4.794 -8.997 -4.839 192 HG3 LYS 27 HG1 LYS 27 -4.548 -10.027 -6.257 193 HD2 LYS 27 HD2 LYS 27 -2.363 -10.636 -5.533 194 HD3 LYS 27 HD1 LYS 27 -2.328 -9.363 -4.317 195 HE2 LYS 27 HE2 LYS 27 -2.665 -11.529 -3.264 196 HE3 LYS 27 HE1 LYS 27 -4.085 -10.515 -3.059 197 HZ1 LYS 27 HZ1 LYS 27 -5.179 -11.770 -4.839 198 HZ2 LYS 27 HZ2 LYS 27 -4.653 -12.795 -3.608 199 HZ3 LYS 27 HZ3 LYS 27 -3.785 -12.700 -5.050 200 H LEU 28 HN LEU 28 -0.985 -7.073 -6.933 201 HA LEU 28 HA LEU 28 -0.600 -4.331 -7.132 202 HB2 LEU 28 HB2 LEU 28 0.404 -6.585 -8.896 203 HB3 LEU 28 HB1 LEU 28 0.839 -4.920 -9.185 204 HG LEU 28 HG LEU 28 2.007 -4.886 -6.968 205 HD11 LEU 28 HD11 LEU 28 1.340 -7.792 -6.904 206 HD12 LEU 28 HD12 LEU 28 0.744 -6.507 -5.832 207 HD13 LEU 28 HD13 LEU 28 2.456 -6.927 -5.832 208 HD21 LEU 28 HD21 LEU 28 3.878 -6.277 -7.643 209 HD22 LEU 28 HD22 LEU 28 3.237 -5.359 -9.006 210 HD23 LEU 28 HD23 LEU 28 2.860 -7.074 -8.842 211 H ASP 29 HN ASP 29 -1.037 -2.958 -8.879 212 HA ASP 29 HA ASP 29 -2.119 -2.025 -10.623 213 HB2 ASP 29 HB2 ASP 29 -1.620 -4.259 -11.817 214 HB3 ASP 29 HB1 ASP 29 -3.217 -4.742 -11.334 215 H LYS 30 HN LYS 30 -3.318 -3.079 -7.955 216 HA LYS 30 HA LYS 30 -6.113 -2.470 -8.595 217 HB2 LYS 30 HB2 LYS 30 -5.007 -3.687 -6.068 218 HB3 LYS 30 HB1 LYS 30 -6.631 -3.082 -6.449 219 HG2 LYS 30 HG2 LYS 30 -5.423 -5.314 -8.051 220 HG3 LYS 30 HG1 LYS 30 -6.233 -5.575 -6.491 221 HD2 LYS 30 HD2 LYS 30 -8.238 -4.461 -7.349 222 HD3 LYS 30 HD1 LYS 30 -7.444 -4.257 -8.912 223 HE2 LYS 30 HE2 LYS 30 -7.334 -6.635 -9.224 224 HE3 LYS 30 HE1 LYS 30 -7.937 -6.916 -7.593 225 HZ1 LYS 30 HZ1 LYS 30 -10.040 -5.925 -8.215 226 HZ2 LYS 30 HZ2 LYS 30 -9.705 -7.158 -9.312 227 HZ3 LYS 30 HZ3 LYS 30 -9.481 -5.557 -9.749 228 H SER 31 HN SER 31 -6.789 -0.796 -8.045 229 HA SER 31 HA SER 31 -5.246 1.275 -6.728 230 HB2 SER 31 HB2 SER 31 -8.095 1.490 -7.672 231 HB3 SER 31 HB1 SER 31 -6.910 2.785 -7.504 232 HG SER 31 HG SER 31 -6.988 0.682 -9.375 233 H PHE 32 HN PHE 32 -5.218 1.069 -4.644 234 HA PHE 32 HA PHE 32 -6.619 -0.053 -2.731 235 HB2 PHE 32 HB2 PHE 32 -5.448 2.697 -2.683 236 HB3 PHE 32 HB1 PHE 32 -6.014 1.848 -1.259 237 HD1 PHE 32 HD2 PHE 32 -4.873 -0.287 -0.618 238 HD2 PHE 32 HD1 PHE 32 -3.295 2.343 -3.566 239 HE1 PHE 32 HE2 PHE 32 -2.689 -1.334 -0.404 240 HE2 PHE 32 HE1 PHE 32 -1.147 1.312 -3.353 241 HZ PHE 32 HZ PHE 32 -0.761 -0.416 -1.632 242 H THR 33 HN THR 33 -7.335 3.321 -3.434 243 HA THR 33 HA THR 33 -9.794 3.020 -1.929 244 HB THR 33 HB THR 33 -8.228 5.015 -1.712 245 HG1 THR 33 HG1 THR 33 -10.685 6.182 -2.220 246 HG21 THR 33 HG21 THR 33 -7.912 5.462 -4.082 247 HG22 THR 33 HG22 THR 33 -8.601 6.871 -3.276 248 HG23 THR 33 HG23 THR 33 -9.629 5.824 -4.254 249 H ASP 34 HN ASP 34 -9.395 1.962 -4.776 250 HA ASP 34 HA ASP 34 -11.978 2.918 -5.792 251 HB2 ASP 34 HB2 ASP 34 -9.401 2.870 -7.314 252 HB3 ASP 34 HB1 ASP 34 -10.916 2.614 -8.166 253 H ASP 35 HN ASP 35 -9.480 0.638 -6.702 254 HA ASP 35 HA ASP 35 -11.281 -1.339 -7.676 255 HB2 ASP 35 HB2 ASP 35 -8.378 -1.245 -7.032 256 HB3 ASP 35 HB1 ASP 35 -9.062 -2.798 -7.371 257 H LEU 36 HN LEU 36 -9.482 -0.805 -4.707 258 HA LEU 36 HA LEU 36 -10.280 -3.314 -3.579 259 HB2 LEU 36 HB2 LEU 36 -9.053 -0.928 -2.270 260 HB3 LEU 36 HB1 LEU 36 -9.134 -2.498 -1.554 261 HG LEU 36 HG LEU 36 -7.410 -1.533 -3.765 262 HD11 LEU 36 HD11 LEU 36 -5.696 -2.405 -2.237 263 HD12 LEU 36 HD12 LEU 36 -7.017 -2.872 -1.137 264 HD13 LEU 36 HD13 LEU 36 -6.748 -1.175 -1.510 265 HD21 LEU 36 HD21 LEU 36 -7.853 -4.386 -2.928 266 HD22 LEU 36 HD22 LEU 36 -6.618 -3.788 -4.051 267 HD23 LEU 36 HD23 LEU 36 -8.331 -3.661 -4.469 268 H ASP 37 HN ASP 37 -10.976 0.138 -2.869 269 HA ASP 37 HA ASP 37 -12.887 1.130 -2.373 270 HB2 ASP 37 HB2 ASP 37 -14.459 -0.540 -3.081 271 HB3 ASP 37 HB1 ASP 37 -13.903 -1.598 -1.779 272 H VAL 38 HN VAL 38 -11.196 1.762 -1.189 273 HA VAL 38 HA VAL 38 -11.539 1.255 1.678 274 HB VAL 38 HB VAL 38 -9.256 2.656 0.263 275 HG11 VAL 38 HG11 VAL 38 -9.445 1.663 3.129 276 HG12 VAL 38 HG12 VAL 38 -9.470 3.353 2.629 277 HG13 VAL 38 HG13 VAL 38 -8.018 2.386 2.381 278 HG21 VAL 38 HG21 VAL 38 -9.421 -0.145 1.338 279 HG22 VAL 38 HG22 VAL 38 -7.980 0.618 0.651 280 HG23 VAL 38 HG23 VAL 38 -9.414 0.355 -0.352 281 H ASP 39 HN ASP 39 -11.393 3.180 3.138 282 HA ASP 39 HA ASP 39 -13.364 5.140 2.485 283 HB2 ASP 39 HB2 ASP 39 -11.492 5.072 4.856 284 HB3 ASP 39 HB1 ASP 39 -12.972 6.008 4.722 285 H SER 40 HN SER 40 -10.347 5.128 1.425 286 HA SER 40 HA SER 40 -8.800 6.502 0.628 287 HB2 SER 40 HB2 SER 40 -9.491 8.368 -0.486 288 HB3 SER 40 HB1 SER 40 -11.082 7.706 -0.100 289 H LEU 41 HN LEU 41 -10.313 8.044 3.375 290 HA LEU 41 HA LEU 41 -8.176 9.639 4.284 291 HB2 LEU 41 HB2 LEU 41 -10.178 8.175 5.997 292 HB3 LEU 41 HB1 LEU 41 -9.325 9.652 6.398 293 HG LEU 41 HG LEU 41 -11.328 9.384 4.197 294 HD11 LEU 41 HD11 LEU 41 -11.652 10.512 6.978 295 HD12 LEU 41 HD12 LEU 41 -12.402 9.045 6.351 296 HD13 LEU 41 HD13 LEU 41 -12.857 10.620 5.695 297 HD21 LEU 41 HD21 LEU 41 -9.753 11.190 3.832 298 HD22 LEU 41 HD22 LEU 41 -10.061 11.819 5.450 299 HD23 LEU 41 HD23 LEU 41 -11.338 11.850 4.234 300 H SER 42 HN SER 42 -9.229 6.407 5.164 301 HA SER 42 HA SER 42 -7.367 5.755 7.020 302 HB2 SER 42 HB2 SER 42 -8.703 3.886 5.123 303 HB3 SER 42 HB1 SER 42 -8.319 3.627 6.831 304 HG SER 42 HG SER 42 -10.321 4.278 7.072 305 H MET 43 HN MET 43 -6.993 6.044 3.651 306 HA MET 43 HA MET 43 -5.266 3.902 3.033 307 HB2 MET 43 HB2 MET 43 -5.803 6.503 1.634 308 HB3 MET 43 HB1 MET 43 -4.779 5.225 0.979 309 HG2 MET 43 HG2 MET 43 -7.571 4.642 1.810 310 HG3 MET 43 HG1 MET 43 -7.228 5.470 0.292 311 HE1 MET 43 HE1 MET 43 -5.306 1.309 0.964 312 HE2 MET 43 HE2 MET 43 -6.029 2.172 2.327 313 HE3 MET 43 HE3 MET 43 -4.591 2.811 1.533 314 H VAL 44 HN VAL 44 -4.803 7.163 4.132 315 HA VAL 44 HA VAL 44 -2.095 7.297 3.592 316 HB VAL 44 HB VAL 44 -3.643 8.700 5.800 317 HG11 VAL 44 HG11 VAL 44 -1.247 8.785 6.247 318 HG12 VAL 44 HG12 VAL 44 -1.854 10.374 5.773 319 HG13 VAL 44 HG13 VAL 44 -0.955 9.391 4.615 320 HG21 VAL 44 HG21 VAL 44 -2.925 9.598 3.011 321 HG22 VAL 44 HG22 VAL 44 -3.761 10.573 4.223 322 HG23 VAL 44 HG23 VAL 44 -4.528 9.125 3.571 323 H GLU 45 HN GLU 45 -3.989 6.067 6.340 324 HA GLU 45 HA GLU 45 -1.970 5.589 8.257 325 HB2 GLU 45 HB2 GLU 45 -4.400 3.864 7.831 326 HB3 GLU 45 HB1 GLU 45 -3.560 4.196 9.330 327 HG2 GLU 45 HG2 GLU 45 -5.244 6.143 7.776 328 HG3 GLU 45 HG1 GLU 45 -5.717 5.217 9.202 329 H VAL 46 HN VAL 46 -3.509 3.675 5.745 330 HA VAL 46 HA VAL 46 -2.299 1.221 6.074 331 HB VAL 46 HB VAL 46 -3.334 2.499 3.524 332 HG11 VAL 46 HG11 VAL 46 -3.642 0.236 2.677 333 HG12 VAL 46 HG12 VAL 46 -2.858 -0.409 4.120 334 HG13 VAL 46 HG13 VAL 46 -1.943 0.593 2.992 335 HG21 VAL 46 HG21 VAL 46 -5.041 2.442 5.200 336 HG22 VAL 46 HG22 VAL 46 -4.706 0.744 5.559 337 HG23 VAL 46 HG23 VAL 46 -5.386 1.206 3.996 338 H VAL 47 HN VAL 47 -1.004 4.074 4.796 339 HA VAL 47 HA VAL 47 1.068 2.817 3.144 340 HB VAL 47 HB VAL 47 1.082 5.667 4.144 341 HG11 VAL 47 HG11 VAL 47 2.452 6.056 2.149 342 HG12 VAL 47 HG12 VAL 47 2.364 4.338 1.770 343 HG13 VAL 47 HG13 VAL 47 3.171 4.877 3.244 344 HG21 VAL 47 HG21 VAL 47 0.041 6.320 2.036 345 HG22 VAL 47 HG22 VAL 47 -1.022 5.288 2.997 346 HG23 VAL 47 HG23 VAL 47 -0.159 4.621 1.612 347 H VAL 48 HN VAL 48 0.918 4.755 6.054 348 HA VAL 48 HA VAL 48 3.575 4.436 6.869 349 HB VAL 48 HB VAL 48 1.098 4.941 8.557 350 HG11 VAL 48 HG11 VAL 48 2.979 4.262 9.944 351 HG12 VAL 48 HG12 VAL 48 2.619 5.973 10.180 352 HG13 VAL 48 HG13 VAL 48 3.996 5.490 9.189 353 HG21 VAL 48 HG21 VAL 48 3.008 6.885 7.263 354 HG22 VAL 48 HG22 VAL 48 1.690 7.317 8.354 355 HG23 VAL 48 HG23 VAL 48 1.337 6.587 6.787 356 H ALA 49 HN ALA 49 0.707 2.437 7.258 357 HA ALA 49 HA ALA 49 1.908 0.851 9.183 358 HB1 ALA 49 HB1 ALA 49 -0.530 0.302 7.518 359 HB2 ALA 49 HB2 ALA 49 -0.492 1.065 9.110 360 HB3 ALA 49 HB3 ALA 49 -0.035 -0.629 8.930 361 H ALA 50 HN ALA 50 1.632 0.865 5.729 362 HA ALA 50 HA ALA 50 2.499 -1.755 5.221 363 HB1 ALA 50 HB1 ALA 50 2.642 0.698 3.407 364 HB2 ALA 50 HB2 ALA 50 1.321 -0.448 3.464 365 HB3 ALA 50 HB3 ALA 50 2.880 -0.957 2.879 366 H GLU 51 HN GLU 51 4.261 1.322 4.958 367 HA GLU 51 HA GLU 51 6.648 -0.031 4.443 368 HB2 GLU 51 HB2 GLU 51 7.783 2.180 4.782 369 HB3 GLU 51 HB1 GLU 51 6.605 2.085 3.523 370 HG2 GLU 51 HG2 GLU 51 5.893 3.932 4.298 371 HG3 GLU 51 HG1 GLU 51 5.015 2.967 5.479 372 H GLU 52 HN GLU 52 5.441 1.136 7.493 373 HA GLU 52 HA GLU 52 7.686 0.602 9.019 374 HB2 GLU 52 HB2 GLU 52 4.769 0.622 9.591 375 HB3 GLU 52 HB1 GLU 52 5.878 0.103 10.857 376 HG2 GLU 52 HG2 GLU 52 6.152 2.693 9.376 377 HG3 GLU 52 HG1 GLU 52 5.170 2.536 10.834 378 H ARG 53 HN ARG 53 5.385 -1.658 7.673 379 HA ARG 53 HA ARG 53 6.523 -3.854 9.202 380 HB2 ARG 53 HB2 ARG 53 4.131 -3.967 8.762 381 HB3 ARG 53 HB1 ARG 53 4.410 -3.846 7.028 382 HG2 ARG 53 HG2 ARG 53 5.655 -5.986 7.122 383 HG3 ARG 53 HG1 ARG 53 5.244 -6.116 8.824 384 HD2 ARG 53 HD2 ARG 53 2.866 -6.327 8.262 385 HD3 ARG 53 HD1 ARG 53 3.241 -5.949 6.590 386 HE ARG 53 HE ARG 53 4.775 -8.063 6.980 387 HH11 ARG 53 HH11 ARG 53 1.362 -7.626 7.905 388 HH12 ARG 53 HH12 ARG 53 0.891 -9.193 7.428 389 HH21 ARG 53 HH21 ARG 53 4.118 -10.189 6.284 390 HH22 ARG 53 HH22 ARG 53 2.524 -10.720 6.558 391 H PHE 54 HN PHE 54 6.781 -2.436 6.015 392 HA PHE 54 HA PHE 54 8.136 -4.828 5.014 393 HB2 PHE 54 HB2 PHE 54 7.411 -2.403 3.387 394 HB3 PHE 54 HB1 PHE 54 7.858 -4.018 2.823 395 HD1 PHE 54 HD2 PHE 54 6.328 -5.660 4.672 396 HD2 PHE 54 HD1 PHE 54 5.288 -2.158 2.546 397 HE1 PHE 54 HE2 PHE 54 4.020 -6.399 4.595 398 HE2 PHE 54 HE1 PHE 54 2.996 -2.862 2.458 399 HZ PHE 54 HZ PHE 54 2.281 -4.859 3.754 400 H ASP 55 HN ASP 55 8.983 -2.115 6.425 401 HA ASP 55 HA ASP 55 11.083 -1.377 7.096 402 HB2 ASP 55 HB2 ASP 55 12.315 -3.198 4.996 403 HB3 ASP 55 HB1 ASP 55 13.189 -2.265 6.184 404 H VAL 56 HN VAL 56 9.689 -0.807 4.166 405 HA VAL 56 HA VAL 56 11.802 0.920 3.221 406 HB VAL 56 HB VAL 56 10.232 -0.361 1.700 407 HG11 VAL 56 HG11 VAL 56 8.028 0.530 1.249 408 HG12 VAL 56 HG12 VAL 56 8.215 1.631 2.614 409 HG13 VAL 56 HG13 VAL 56 8.203 -0.113 2.880 410 HG21 VAL 56 HG21 VAL 56 9.936 1.301 0.051 411 HG22 VAL 56 HG22 VAL 56 11.503 1.550 0.839 412 HG23 VAL 56 HG23 VAL 56 10.116 2.601 1.224 413 H LYS 57 HN LYS 57 10.853 3.373 2.700 414 HA LYS 57 HA LYS 57 9.212 4.180 4.965 415 HB2 LYS 57 HB2 LYS 57 11.713 4.574 5.323 416 HB3 LYS 57 HB1 LYS 57 11.608 5.725 3.998 417 HG2 LYS 57 HG2 LYS 57 11.456 6.866 6.111 418 HG3 LYS 57 HG1 LYS 57 9.913 6.976 5.247 419 HD2 LYS 57 HD2 LYS 57 9.083 5.056 6.548 420 HD3 LYS 57 HD1 LYS 57 10.597 5.042 7.448 421 HE2 LYS 57 HE2 LYS 57 8.632 7.295 7.325 422 HE3 LYS 57 HE1 LYS 57 8.784 6.137 8.645 423 HZ1 LYS 57 HZ1 LYS 57 11.078 6.890 8.971 424 HZ2 LYS 57 HZ2 LYS 57 9.995 8.172 9.173 425 HZ3 LYS 57 HZ3 LYS 57 10.880 8.049 7.755 426 H ILE 58 HN ILE 58 7.649 5.568 4.363 427 HA ILE 58 HA ILE 58 7.836 6.665 1.646 428 HB ILE 58 HB ILE 58 5.293 5.508 2.837 429 HG12 ILE 58 HG12 ILE 58 7.104 4.270 0.731 430 HG13 ILE 58 HG11 ILE 58 6.995 3.731 2.397 431 HG21 ILE 58 HG21 ILE 58 4.455 5.706 0.532 432 HG22 ILE 58 HG22 ILE 58 5.993 6.416 0.038 433 HG23 ILE 58 HG23 ILE 58 4.954 7.271 1.178 434 HD11 ILE 58 HD11 ILE 58 4.663 3.115 2.032 435 HD12 ILE 58 HD12 ILE 58 5.755 2.290 0.921 436 HD13 ILE 58 HD13 ILE 58 4.789 3.655 0.352 437 HA PRO 59 HA PRO 59 6.661 10.342 4.147 438 HB2 PRO 59 HB2 PRO 59 7.256 12.116 2.211 439 HB3 PRO 59 HB1 PRO 59 8.536 11.389 3.209 440 HG2 PRO 59 HG2 PRO 59 7.573 10.626 0.474 441 HG3 PRO 59 HG1 PRO 59 9.253 10.845 1.030 442 HD2 PRO 59 HD2 PRO 59 8.147 8.402 0.818 443 HD3 PRO 59 HD1 PRO 59 9.259 8.796 2.145 444 H ASP 60 HN ASP 60 5.033 12.087 3.628 445 HA ASP 60 HA ASP 60 2.678 11.024 2.457 446 HB2 ASP 60 HB2 ASP 60 3.281 13.956 2.934 447 HB3 ASP 60 HB1 ASP 60 1.699 13.290 2.575 448 H ASP 61 HN ASP 61 5.248 12.947 1.192 449 HA ASP 61 HA ASP 61 4.109 13.756 -1.212 450 HB2 ASP 61 HB2 ASP 61 6.221 14.653 -0.346 451 HB3 ASP 61 HB1 ASP 61 7.007 13.110 -0.654 452 H ASP 62 HN ASP 62 5.731 10.737 -0.354 453 HA ASP 62 HA ASP 62 5.319 9.798 -3.060 454 HB2 ASP 62 HB2 ASP 62 6.732 8.515 -0.731 455 HB3 ASP 62 HB1 ASP 62 6.354 7.615 -2.196 456 H VAL 63 HN VAL 63 3.910 9.437 0.059 457 HA VAL 63 HA VAL 63 2.165 7.297 -0.218 458 HB VAL 63 HB VAL 63 1.657 10.041 1.023 459 HG11 VAL 63 HG11 VAL 63 -0.488 9.008 0.534 460 HG12 VAL 63 HG12 VAL 63 -0.186 9.034 2.272 461 HG13 VAL 63 HG13 VAL 63 0.019 7.536 1.360 462 HG21 VAL 63 HG21 VAL 63 2.374 7.403 2.283 463 HG22 VAL 63 HG22 VAL 63 2.039 8.901 3.148 464 HG23 VAL 63 HG23 VAL 63 3.442 8.792 2.085 465 H LYS 64 HN LYS 64 1.810 10.595 -1.334 466 HA LYS 64 HA LYS 64 -0.755 10.226 -2.460 467 HB2 LYS 64 HB2 LYS 64 -0.593 12.499 -3.262 468 HB3 LYS 64 HB1 LYS 64 0.066 12.405 -1.636 469 HG2 LYS 64 HG2 LYS 64 2.345 12.202 -2.778 470 HG3 LYS 64 HG1 LYS 64 1.514 12.759 -4.230 471 HD2 LYS 64 HD2 LYS 64 0.764 14.773 -2.942 472 HD3 LYS 64 HD1 LYS 64 1.749 14.190 -1.592 473 HE2 LYS 64 HE2 LYS 64 3.729 14.224 -3.115 474 HE3 LYS 64 HE1 LYS 64 2.715 15.000 -4.323 475 HZ1 LYS 64 HZ1 LYS 64 3.291 16.105 -1.621 476 HZ2 LYS 64 HZ2 LYS 64 2.371 16.855 -2.823 477 HZ3 LYS 64 HZ3 LYS 64 4.016 16.593 -3.061 478 H ASN 65 HN ASN 65 2.079 8.955 -3.614 479 HA ASN 65 HA ASN 65 1.539 9.431 -6.409 480 HB2 ASN 65 HB2 ASN 65 3.772 8.071 -4.925 481 HB3 ASN 65 HB1 ASN 65 3.624 8.093 -6.666 482 HD21 ASN 65 HD21 ASN 65 5.738 9.089 -5.020 483 HD22 ASN 65 HD22 ASN 65 5.891 10.775 -5.345 484 H LEU 66 HN LEU 66 1.460 6.969 -3.907 485 HA LEU 66 HA LEU 66 1.225 4.786 -5.684 486 HB2 LEU 66 HB2 LEU 66 0.551 4.858 -2.744 487 HB3 LEU 66 HB1 LEU 66 1.023 3.474 -3.700 488 HG LEU 66 HG LEU 66 2.791 5.728 -2.742 489 HD11 LEU 66 HD11 LEU 66 2.803 2.784 -2.119 490 HD12 LEU 66 HD12 LEU 66 2.286 4.085 -1.050 491 HD13 LEU 66 HD13 LEU 66 3.979 3.957 -1.541 492 HD21 LEU 66 HD21 LEU 66 4.665 4.549 -3.801 493 HD22 LEU 66 HD22 LEU 66 3.488 5.100 -4.994 494 HD23 LEU 66 HD23 LEU 66 3.533 3.404 -4.517 495 H LYS 67 HN LYS 67 -0.571 4.531 -6.776 496 HA LYS 67 HA LYS 67 -3.082 5.208 -5.453 497 HB2 LYS 67 HB2 LYS 67 -4.184 5.200 -7.756 498 HB3 LYS 67 HB1 LYS 67 -3.101 6.525 -7.413 499 HG2 LYS 67 HG2 LYS 67 -2.146 4.135 -8.975 500 HG3 LYS 67 HG1 LYS 67 -3.076 5.417 -9.753 501 HD2 LYS 67 HD2 LYS 67 -1.389 7.047 -8.841 502 HD3 LYS 67 HD1 LYS 67 -0.422 5.666 -8.336 503 HE2 LYS 67 HE2 LYS 67 -1.289 6.182 -11.180 504 HE3 LYS 67 HE1 LYS 67 0.248 6.707 -10.513 505 HZ1 LYS 67 HZ1 LYS 67 0.407 4.676 -11.773 506 HZ2 LYS 67 HZ2 LYS 67 -0.602 3.835 -10.726 507 HZ3 LYS 67 HZ3 LYS 67 0.896 4.447 -10.192 508 H THR 68 HN THR 68 -1.362 2.662 -7.107 509 HA THR 68 HA THR 68 -3.517 0.879 -6.368 510 HB THR 68 HB THR 68 -2.600 -0.642 -8.020 511 HG1 THR 68 HG1 THR 68 -1.096 1.046 -9.486 512 HG21 THR 68 HG21 THR 68 -3.193 2.084 -9.201 513 HG22 THR 68 HG22 THR 68 -4.388 0.867 -8.757 514 HG23 THR 68 HG23 THR 68 -3.267 0.560 -10.084 515 H VAL 69 HN VAL 69 -2.559 -1.320 -5.774 516 HA VAL 69 HA VAL 69 -0.332 -0.801 -4.103 517 HB VAL 69 HB VAL 69 -1.233 -2.340 -2.814 518 HG11 VAL 69 HG11 VAL 69 -3.292 -1.880 -3.834 519 HG12 VAL 69 HG12 VAL 69 -3.244 -3.609 -3.422 520 HG13 VAL 69 HG13 VAL 69 -2.993 -3.070 -5.092 521 HG21 VAL 69 HG21 VAL 69 -1.079 -4.771 -3.284 522 HG22 VAL 69 HG22 VAL 69 0.414 -3.914 -3.686 523 HG23 VAL 69 HG23 VAL 69 -0.689 -4.401 -4.968 524 H GLY 70 HN GLY 70 -0.763 -1.612 -7.204 525 HA2 GLY 70 HA2 GLY 70 1.650 -3.092 -7.658 526 HA3 GLY 70 HA1 GLY 70 0.803 -2.116 -8.860 527 H ASP 71 HN ASP 71 0.749 0.230 -7.682 528 HA ASP 71 HA ASP 71 3.295 1.411 -8.261 529 HB2 ASP 71 HB2 ASP 71 0.751 2.508 -8.004 530 HB3 ASP 71 HB1 ASP 71 1.450 2.868 -6.455 531 H ALA 72 HN ALA 72 1.514 0.863 -5.267 532 HA ALA 72 HA ALA 72 3.292 1.883 -3.345 533 HB1 ALA 72 HB1 ALA 72 2.159 0.483 -1.761 534 HB2 ALA 72 HB2 ALA 72 1.615 -0.585 -3.006 535 HB3 ALA 72 HB3 ALA 72 0.934 1.058 -2.910 536 H THR 73 HN THR 73 2.803 -1.463 -4.167 537 HA THR 73 HA THR 73 4.790 -2.389 -2.619 538 HB THR 73 HB THR 73 3.685 -3.744 -5.061 539 HG1 THR 73 HG1 THR 73 1.980 -3.371 -3.843 540 HG21 THR 73 HG21 THR 73 5.659 -4.784 -4.148 541 HG22 THR 73 HG22 THR 73 4.213 -5.762 -3.773 542 HG23 THR 73 HG23 THR 73 4.937 -4.701 -2.545 543 H LYS 74 HN LYS 74 4.988 -1.498 -6.030 544 HA LYS 74 HA LYS 74 7.524 -2.507 -6.593 545 HB2 LYS 74 HB2 LYS 74 5.635 -0.568 -7.666 546 HB3 LYS 74 HB1 LYS 74 7.319 -0.231 -8.058 547 HG2 LYS 74 HG2 LYS 74 6.161 -1.527 -9.826 548 HG3 LYS 74 HG1 LYS 74 7.553 -2.368 -9.154 549 HD2 LYS 74 HD2 LYS 74 6.063 -3.729 -7.779 550 HD3 LYS 74 HD1 LYS 74 4.670 -2.862 -8.430 551 HE2 LYS 74 HE2 LYS 74 4.974 -5.004 -9.554 552 HE3 LYS 74 HE1 LYS 74 5.202 -3.660 -10.666 553 HZ1 LYS 74 HZ1 LYS 74 7.592 -3.978 -10.545 554 HZ2 LYS 74 HZ2 LYS 74 6.848 -5.462 -10.898 555 HZ3 LYS 74 HZ3 LYS 74 7.404 -5.169 -9.361 556 H TYR 75 HN TYR 75 6.352 0.634 -5.540 557 HA TYR 75 HA TYR 75 8.747 1.987 -5.250 558 HB2 TYR 75 HB2 TYR 75 6.436 2.961 -5.094 559 HB3 TYR 75 HB1 TYR 75 6.290 2.190 -3.556 560 HD1 TYR 75 HD1 TYR 75 8.507 4.616 -5.254 561 HD2 TYR 75 HD2 TYR 75 6.929 3.211 -1.575 562 HE1 TYR 75 HE1 TYR 75 9.484 6.516 -4.137 563 HE2 TYR 75 HE2 TYR 75 7.917 5.137 -0.412 564 HH TYR 75 HH TYR 75 9.832 6.793 -0.813 565 H ILE 76 HN ILE 76 6.925 0.135 -2.943 566 HA ILE 76 HA ILE 76 8.472 0.489 -0.691 567 HB ILE 76 HB ILE 76 6.672 -1.768 -1.562 568 HG12 ILE 76 HG12 ILE 76 6.236 0.325 0.527 569 HG13 ILE 76 HG11 ILE 76 5.875 0.602 -1.175 570 HG21 ILE 76 HG21 ILE 76 7.853 -1.283 1.168 571 HG22 ILE 76 HG22 ILE 76 8.239 -2.632 0.105 572 HG23 ILE 76 HG23 ILE 76 6.612 -2.475 0.776 573 HD11 ILE 76 HD11 ILE 76 4.398 -1.255 -1.174 574 HD12 ILE 76 HD12 ILE 76 3.897 -0.088 0.062 575 HD13 ILE 76 HD13 ILE 76 4.733 -1.597 0.525 576 H LEU 77 HN LEU 77 8.431 -2.508 -2.720 577 HA LEU 77 HA LEU 77 10.434 -3.913 -1.589 578 HB2 LEU 77 HB2 LEU 77 8.680 -4.495 -3.308 579 HB3 LEU 77 HB1 LEU 77 9.680 -3.734 -4.502 580 HG LEU 77 HG LEU 77 10.213 -6.317 -3.036 581 HD11 LEU 77 HD11 LEU 77 8.519 -6.430 -4.693 582 HD12 LEU 77 HD12 LEU 77 9.980 -7.205 -5.345 583 HD13 LEU 77 HD13 LEU 77 9.531 -5.559 -5.835 584 HD21 LEU 77 HD21 LEU 77 12.375 -5.177 -3.499 585 HD22 LEU 77 HD22 LEU 77 11.899 -5.003 -5.189 586 HD23 LEU 77 HD23 LEU 77 12.159 -6.608 -4.509 587 H ASP 78 HN ASP 78 10.456 -1.578 -4.191 588 HA ASP 78 HA ASP 78 13.086 -2.085 -5.121 589 HB2 ASP 78 HB2 ASP 78 11.546 -1.361 -6.658 590 HB3 ASP 78 HB1 ASP 78 10.964 -0.004 -5.751 591 H HIS 79 HN HIS 79 11.706 -0.010 -2.766 592 HA HIS 79 HA HIS 79 14.288 1.271 -2.456 593 HB2 HIS 79 HB2 HIS 79 11.562 2.161 -1.587 594 HB3 HIS 79 HB1 HIS 79 13.029 2.925 -1.004 595 HD1 HIS 79 HD1 HIS 79 14.313 4.490 -2.747 596 HD2 HIS 79 HD2 HIS 79 10.902 2.645 -4.270 597 HE1 HIS 79 HE1 HIS 79 13.840 5.612 -4.909 598 HE2 HIS 79 HE2 HIS 79 11.874 4.399 -5.885 599 H GLN 80 HN GLN 80 12.706 -1.350 -1.107 600 HA GLN 80 HA GLN 80 13.549 -0.955 1.656 601 HB2 GLN 80 HB2 GLN 80 13.198 -3.587 0.357 602 HB3 GLN 80 HB1 GLN 80 13.045 -3.184 2.037 603 HG2 GLN 80 HG2 GLN 80 10.934 -2.125 1.649 604 HG3 GLN 80 HG1 GLN 80 11.122 -2.381 -0.088 605 HE21 GLN 80 HE21 GLN 80 9.117 -3.266 1.511 606 HE22 GLN 80 HE22 GLN 80 9.013 -5.007 1.458 607 H ALA 81 HN ALA 81 14.246 -3.031 -0.777 608 HA ALA 81 HA ALA 81 17.045 -3.324 0.103 609 HB1 ALA 81 HB1 ALA 81 15.439 -5.214 -1.626 610 HB2 ALA 81 HB2 ALA 81 15.775 -5.422 0.094 611 HB3 ALA 81 HB3 ALA 81 17.095 -5.474 -1.074 612 H1 SYO 101 H1A SYO 101 -3.798 6.716 0.772 613 H1A SYO 101 H1B SYO 101 -2.158 7.386 0.755 614 H2 SYO 101 H2A SYO 101 -2.011 7.189 -1.504 615 H2A SYO 101 H2B SYO 101 -3.768 7.084 -1.788 616 H4 SYO 101 H4A SYO 101 -0.755 5.393 -0.966 617 H4A SYO 101 H4B SYO 101 -1.362 4.267 -2.170 618 H5 SYO 101 H5A SYO 101 -2.079 2.729 -0.473 619 H5A SYO 101 H5B SYO 101 -1.619 3.868 0.797 620 H6 SYO 101 H6A SYO 101 0.697 3.758 0.044 621 H6A SYO 101 H6B SYO 101 0.232 2.599 -1.203 622 H7 SYO 101 H7A SYO 101 -0.445 1.006 0.468 623 H7A SYO 101 H7B SYO 101 -0.070 2.168 1.761 624 H8 SYO 101 H8C SYO 101 2.261 2.198 1.002 625 H8A SYO 101 H8A SYO 101 1.857 1.040 -0.265 626 H8B SYO 101 H8B SYO 101 1.748 0.564 1.432 627 H28 SYO 101 H28A SYO 101 -7.333 11.933 -0.089 628 H28A SYO 101 H28B SYO 101 -6.544 10.616 -0.953 629 H30 SYO 101 H30A SYO 101 -9.170 13.357 -2.782 630 H30A SYO 101 H30B SYO 101 -8.234 13.662 -1.316 631 H30B SYO 101 H30C SYO 101 -9.672 12.639 -1.252 632 H31 SYO 101 H31A SYO 101 -6.205 12.929 -2.406 633 H31A SYO 101 H31B SYO 101 -7.079 12.586 -3.902 634 H31B SYO 101 H31C SYO 101 -6.109 11.326 -3.137 635 H32 SYO 101 H32A SYO 101 -9.433 10.097 -2.324 636 HO33 SYO 101 H33A SYO 101 -9.182 10.651 -4.834 637 HN36 SYO 101 H36A SYO 101 -7.229 9.241 -1.777 638 H37 SYO 101 H37A SYO 101 -5.678 7.540 -2.043 639 H37A SYO 101 H37B SYO 101 -6.745 6.938 -3.303 640 H38 SYO 101 H38A SYO 101 -4.433 7.292 -4.020 641 H38A SYO 101 H38B SYO 101 -5.567 8.245 -5.001 642 HN41 SYO 101 H41A SYO 101 -4.437 8.901 -1.830 643 H42 SYO 101 H42A SYO 101 -2.550 10.958 -2.615 644 H42A SYO 101 H42B SYO 101 -3.928 11.358 -1.615 645 H43 SYO 101 H43A SYO 101 -2.225 10.880 -0.047 646 H43A SYO 101 H43B SYO 101 -1.798 9.418 -0.921 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 13.283 -6.722 5.430 2 H2 ALA 1 HT2 ALA 1 11.670 -6.855 5.034 3 H3 ALA 1 HT3 ALA 1 12.246 -5.417 5.707 4 HA ALA 1 HA ALA 1 11.871 -5.262 3.292 5 HB1 ALA 1 HB1 ALA 1 14.797 -5.242 4.061 6 HB2 ALA 1 HB2 ALA 1 13.665 -3.906 4.271 7 HB3 ALA 1 HB3 ALA 1 14.098 -4.448 2.648 8 H ALA 2 HN ALA 2 11.303 -6.885 1.929 9 HA ALA 2 HA ALA 2 13.413 -8.774 1.249 10 HB1 ALA 2 HB1 ALA 2 11.938 -10.688 1.433 11 HB2 ALA 2 HB2 ALA 2 10.632 -9.649 2.003 12 HB3 ALA 2 HB3 ALA 2 12.082 -9.861 2.985 13 H THR 3 HN THR 3 9.929 -8.446 0.480 14 HA THR 3 HA THR 3 10.402 -7.609 -2.148 15 HB THR 3 HB THR 3 11.370 -9.861 -2.403 16 HG1 THR 3 HG1 THR 3 10.602 -9.769 -4.304 17 HG21 THR 3 HG21 THR 3 9.945 -11.876 -2.258 18 HG22 THR 3 HG22 THR 3 8.627 -10.885 -1.634 19 HG23 THR 3 HG23 THR 3 10.110 -11.069 -0.697 20 H GLN 4 HN GLN 4 8.413 -8.320 -3.504 21 HA GLN 4 HA GLN 4 6.142 -7.058 -2.519 22 HB2 GLN 4 HB2 GLN 4 6.343 -7.020 -4.827 23 HB3 GLN 4 HB1 GLN 4 6.712 -8.733 -4.927 24 HG2 GLN 4 HG2 GLN 4 4.026 -7.933 -3.982 25 HG3 GLN 4 HG1 GLN 4 4.376 -7.732 -5.693 26 HE21 GLN 4 HE21 GLN 4 2.543 -9.650 -4.173 27 HE22 GLN 4 HE22 GLN 4 3.013 -11.191 -4.747 28 H GLU 5 HN GLU 5 6.995 -10.428 -2.535 29 HA GLU 5 HA GLU 5 4.450 -11.438 -1.962 30 HB2 GLU 5 HB2 GLU 5 7.153 -12.607 -1.309 31 HB3 GLU 5 HB1 GLU 5 5.630 -13.494 -1.265 32 HG2 GLU 5 HG2 GLU 5 5.303 -13.008 -3.653 33 HG3 GLU 5 HG1 GLU 5 6.867 -12.202 -3.682 34 H GLU 6 HN GLU 6 6.779 -9.922 0.031 35 HA GLU 6 HA GLU 6 5.399 -10.574 2.495 36 HB2 GLU 6 HB2 GLU 6 7.869 -10.273 2.490 37 HB3 GLU 6 HB1 GLU 6 7.645 -8.646 1.896 38 HG2 GLU 6 HG2 GLU 6 8.137 -8.551 4.242 39 HG3 GLU 6 HG1 GLU 6 6.480 -8.027 3.965 40 H ILE 7 HN ILE 7 5.840 -7.790 0.209 41 HA ILE 7 HA ILE 7 4.680 -5.865 1.843 42 HB ILE 7 HB ILE 7 5.020 -6.019 -1.141 43 HG12 ILE 7 HG12 ILE 7 6.700 -4.677 0.957 44 HG13 ILE 7 HG11 ILE 7 7.028 -6.291 0.332 45 HG21 ILE 7 HG21 ILE 7 4.856 -3.569 -1.040 46 HG22 ILE 7 HG22 ILE 7 4.522 -3.662 0.690 47 HG23 ILE 7 HG23 ILE 7 3.367 -4.323 -0.467 48 HD11 ILE 7 HD11 ILE 7 7.306 -5.398 -1.873 49 HD12 ILE 7 HD12 ILE 7 8.374 -4.594 -0.709 50 HD13 ILE 7 HD13 ILE 7 6.916 -3.782 -1.284 51 H VAL 8 HN VAL 8 3.360 -7.283 -1.137 52 HA VAL 8 HA VAL 8 0.803 -6.211 -0.794 53 HB VAL 8 HB VAL 8 1.556 -8.716 -2.320 54 HG11 VAL 8 HG11 VAL 8 -0.844 -8.512 -1.985 55 HG12 VAL 8 HG12 VAL 8 -0.417 -8.245 -3.677 56 HG13 VAL 8 HG13 VAL 8 -0.805 -6.872 -2.634 57 HG21 VAL 8 HG21 VAL 8 1.443 -5.851 -3.212 58 HG22 VAL 8 HG22 VAL 8 1.730 -7.242 -4.258 59 HG23 VAL 8 HG23 VAL 8 2.889 -6.823 -2.995 60 H ALA 9 HN ALA 9 2.058 -9.263 0.337 61 HA ALA 9 HA ALA 9 -0.394 -10.276 1.119 62 HB1 ALA 9 HB1 ALA 9 1.580 -11.672 0.963 63 HB2 ALA 9 HB2 ALA 9 0.881 -11.797 2.579 64 HB3 ALA 9 HB3 ALA 9 2.320 -10.813 2.314 65 H GLY 10 HN GLY 10 1.896 -8.093 2.683 66 HA2 GLY 10 HA2 GLY 10 0.575 -8.187 5.195 67 HA3 GLY 10 HA1 GLY 10 1.978 -7.222 4.784 68 H LEU 11 HN LEU 11 0.916 -5.996 2.533 69 HA LEU 11 HA LEU 11 -0.306 -3.785 3.701 70 HB2 LEU 11 HB2 LEU 11 0.988 -4.460 1.363 71 HB3 LEU 11 HB1 LEU 11 -0.639 -4.145 0.836 72 HG LEU 11 HG LEU 11 1.144 -2.194 2.325 73 HD11 LEU 11 HD11 LEU 11 1.156 -0.989 0.218 74 HD12 LEU 11 HD12 LEU 11 0.214 -2.278 -0.532 75 HD13 LEU 11 HD13 LEU 11 1.850 -2.599 0.046 76 HD21 LEU 11 HD21 LEU 11 -1.195 -1.885 2.890 77 HD22 LEU 11 HD22 LEU 11 -1.613 -1.856 1.180 78 HD23 LEU 11 HD23 LEU 11 -0.610 -0.574 1.864 79 H ALA 12 HN ALA 12 -1.448 -6.585 1.876 80 HA ALA 12 HA ALA 12 -4.129 -5.928 1.521 81 HB1 ALA 12 HB1 ALA 12 -2.919 -8.610 2.172 82 HB2 ALA 12 HB2 ALA 12 -3.102 -7.921 0.553 83 HB3 ALA 12 HB3 ALA 12 -4.529 -8.326 1.515 84 H GLU 13 HN GLU 13 -2.532 -7.602 4.207 85 HA GLU 13 HA GLU 13 -4.782 -7.939 5.795 86 HB2 GLU 13 HB2 GLU 13 -1.911 -7.714 6.628 87 HB3 GLU 13 HB1 GLU 13 -3.222 -8.271 7.665 88 HG2 GLU 13 HG2 GLU 13 -3.679 -10.065 6.149 89 HG3 GLU 13 HG1 GLU 13 -2.384 -9.534 5.085 90 H ILE 14 HN ILE 14 -2.493 -5.357 5.731 91 HA ILE 14 HA ILE 14 -3.478 -3.814 7.855 92 HB ILE 14 HB ILE 14 -2.256 -2.955 5.222 93 HG12 ILE 14 HG12 ILE 14 -0.939 -3.185 7.923 94 HG13 ILE 14 HG11 ILE 14 -1.010 -4.520 6.784 95 HG21 ILE 14 HG21 ILE 14 -2.574 -1.392 7.795 96 HG22 ILE 14 HG22 ILE 14 -3.427 -1.075 6.285 97 HG23 ILE 14 HG23 ILE 14 -1.681 -0.852 6.375 98 HD11 ILE 14 HD11 ILE 14 0.182 -3.222 5.169 99 HD12 ILE 14 HD12 ILE 14 1.090 -3.416 6.671 100 HD13 ILE 14 HD13 ILE 14 0.300 -1.864 6.300 101 H VAL 15 HN VAL 15 -4.496 -4.009 4.495 102 HA VAL 15 HA VAL 15 -6.364 -1.861 4.582 103 HB VAL 15 HB VAL 15 -6.001 -4.137 2.604 104 HG11 VAL 15 HG11 VAL 15 -7.666 -1.653 2.327 105 HG12 VAL 15 HG12 VAL 15 -8.271 -3.306 2.490 106 HG13 VAL 15 HG13 VAL 15 -7.341 -2.842 1.064 107 HG21 VAL 15 HG21 VAL 15 -5.225 -1.250 2.517 108 HG22 VAL 15 HG22 VAL 15 -5.018 -2.438 1.210 109 HG23 VAL 15 HG23 VAL 15 -4.150 -2.639 2.740 110 H ASN 16 HN ASN 16 -6.432 -5.126 5.430 111 HA ASN 16 HA ASN 16 -9.301 -5.532 5.328 112 HB2 ASN 16 HB2 ASN 16 -7.407 -7.130 7.083 113 HB3 ASN 16 HB1 ASN 16 -8.953 -7.616 6.419 114 HD21 ASN 16 HD21 ASN 16 -8.332 -6.646 3.821 115 HD22 ASN 16 HD22 ASN 16 -7.061 -7.673 3.198 116 H GLU 17 HN GLU 17 -6.893 -4.768 7.744 117 HA GLU 17 HA GLU 17 -8.702 -4.669 9.935 118 HB2 GLU 17 HB2 GLU 17 -5.871 -3.687 9.625 119 HB3 GLU 17 HB1 GLU 17 -6.747 -3.767 11.148 120 HG2 GLU 17 HG2 GLU 17 -6.903 -6.165 10.982 121 HG3 GLU 17 HG1 GLU 17 -6.151 -6.130 9.386 122 H ILE 18 HN ILE 18 -7.149 -2.240 7.884 123 HA ILE 18 HA ILE 18 -8.156 0.019 9.289 124 HB ILE 18 HB ILE 18 -7.190 -0.259 6.431 125 HG12 ILE 18 HG12 ILE 18 -5.540 -0.788 8.238 126 HG13 ILE 18 HG11 ILE 18 -5.048 0.528 7.199 127 HG21 ILE 18 HG21 ILE 18 -6.894 2.170 6.437 128 HG22 ILE 18 HG22 ILE 18 -7.660 2.253 8.023 129 HG23 ILE 18 HG23 ILE 18 -8.586 1.706 6.624 130 HD11 ILE 18 HD11 ILE 18 -5.770 2.095 8.990 131 HD12 ILE 18 HD12 ILE 18 -4.486 0.994 9.473 132 HD13 ILE 18 HD13 ILE 18 -6.148 0.698 10.009 133 H ALA 19 HN ALA 19 -9.233 -1.493 6.205 134 HA ALA 19 HA ALA 19 -11.739 0.005 6.509 135 HB1 ALA 19 HB1 ALA 19 -10.614 -1.259 4.004 136 HB2 ALA 19 HB2 ALA 19 -10.537 0.455 4.411 137 HB3 ALA 19 HB3 ALA 19 -12.097 -0.311 4.116 138 H GLY 20 HN GLY 20 -11.142 -2.849 4.633 139 HA2 GLY 20 HA2 GLY 20 -12.030 -4.857 6.297 140 HA3 GLY 20 HA1 GLY 20 -13.502 -4.133 5.671 141 H ILE 21 HN ILE 21 -10.423 -4.687 4.116 142 HA ILE 21 HA ILE 21 -11.795 -5.913 1.891 143 HB ILE 21 HB ILE 21 -9.074 -4.871 2.376 144 HG12 ILE 21 HG12 ILE 21 -9.334 -3.948 0.095 145 HG13 ILE 21 HG11 ILE 21 -10.848 -4.821 -0.067 146 HG21 ILE 21 HG21 ILE 21 -8.020 -5.946 0.416 147 HG22 ILE 21 HG22 ILE 21 -9.361 -7.094 0.358 148 HG23 ILE 21 HG23 ILE 21 -8.310 -7.036 1.759 149 HD11 ILE 21 HD11 ILE 21 -11.794 -3.501 1.762 150 HD12 ILE 21 HD12 ILE 21 -11.221 -2.475 0.446 151 HD13 ILE 21 HD13 ILE 21 -10.268 -2.633 1.923 152 HA PRO 22 HA PRO 22 -11.195 -10.061 3.261 153 HB2 PRO 22 HB2 PRO 22 -11.328 -10.912 0.502 154 HB3 PRO 22 HB1 PRO 22 -12.575 -11.081 1.784 155 HG2 PRO 22 HG2 PRO 22 -12.931 -9.462 -0.363 156 HG3 PRO 22 HG1 PRO 22 -13.483 -9.004 1.262 157 HD2 PRO 22 HD2 PRO 22 -10.978 -8.213 -0.116 158 HD3 PRO 22 HD1 PRO 22 -12.189 -7.181 0.683 159 H VAL 23 HN VAL 23 -8.710 -8.712 2.520 160 HA VAL 23 HA VAL 23 -6.516 -8.952 1.974 161 HB VAL 23 HB VAL 23 -6.744 -10.447 3.974 162 HG11 VAL 23 HG11 VAL 23 -7.944 -12.305 3.090 163 HG12 VAL 23 HG12 VAL 23 -6.409 -12.852 3.766 164 HG13 VAL 23 HG13 VAL 23 -6.603 -12.715 2.018 165 HG21 VAL 23 HG21 VAL 23 -4.484 -11.102 2.099 166 HG22 VAL 23 HG22 VAL 23 -4.492 -11.425 3.833 167 HG23 VAL 23 HG23 VAL 23 -4.554 -9.762 3.243 168 H GLU 24 HN GLU 24 -8.479 -10.829 0.079 169 HA GLU 24 HA GLU 24 -6.291 -11.783 -1.607 170 HB2 GLU 24 HB2 GLU 24 -8.044 -13.027 -2.808 171 HB3 GLU 24 HB1 GLU 24 -8.000 -13.373 -1.084 172 HG2 GLU 24 HG2 GLU 24 -9.934 -11.928 -0.722 173 HG3 GLU 24 HG1 GLU 24 -9.958 -11.528 -2.442 174 H ASP 25 HN ASP 25 -8.312 -9.133 -1.481 175 HA ASP 25 HA ASP 25 -8.642 -8.844 -4.370 176 HB2 ASP 25 HB2 ASP 25 -10.457 -8.141 -2.849 177 HB3 ASP 25 HB1 ASP 25 -9.389 -6.947 -2.135 178 H VAL 26 HN VAL 26 -6.664 -7.779 -1.866 179 HA VAL 26 HA VAL 26 -5.496 -5.494 -3.191 180 HB VAL 26 HB VAL 26 -4.305 -7.065 -0.885 181 HG11 VAL 26 HG11 VAL 26 -3.213 -4.945 -0.308 182 HG12 VAL 26 HG12 VAL 26 -3.900 -4.209 -1.760 183 HG13 VAL 26 HG13 VAL 26 -2.729 -5.518 -1.909 184 HG21 VAL 26 HG21 VAL 26 -5.379 -5.459 0.606 185 HG22 VAL 26 HG22 VAL 26 -6.562 -6.395 -0.310 186 HG23 VAL 26 HG23 VAL 26 -6.200 -4.732 -0.774 187 H LYS 27 HN LYS 27 -4.766 -6.171 -5.155 188 HA LYS 27 HA LYS 27 -2.386 -7.899 -5.190 189 HB2 LYS 27 HB2 LYS 27 -4.578 -7.672 -7.251 190 HB3 LYS 27 HB1 LYS 27 -3.084 -8.568 -7.459 191 HG2 LYS 27 HG2 LYS 27 -5.091 -9.081 -5.338 192 HG3 LYS 27 HG1 LYS 27 -5.083 -9.913 -6.911 193 HD2 LYS 27 HD2 LYS 27 -2.843 -10.789 -6.399 194 HD3 LYS 27 HD1 LYS 27 -2.863 -9.934 -4.855 195 HE2 LYS 27 HE2 LYS 27 -3.415 -12.339 -4.656 196 HE3 LYS 27 HE1 LYS 27 -4.693 -11.271 -4.073 197 HZ1 LYS 27 HZ1 LYS 27 -5.544 -13.107 -5.430 198 HZ2 LYS 27 HZ2 LYS 27 -4.693 -12.529 -6.784 199 HZ3 LYS 27 HZ3 LYS 27 -5.910 -11.624 -6.107 200 H LEU 28 HN LEU 28 -0.885 -7.158 -6.659 201 HA LEU 28 HA LEU 28 -0.521 -4.477 -7.002 202 HB2 LEU 28 HB2 LEU 28 0.359 -6.591 -9.000 203 HB3 LEU 28 HB1 LEU 28 1.070 -5.008 -8.803 204 HG LEU 28 HG LEU 28 1.177 -7.182 -6.715 205 HD11 LEU 28 HD11 LEU 28 2.345 -7.857 -8.757 206 HD12 LEU 28 HD12 LEU 28 3.488 -7.498 -7.463 207 HD13 LEU 28 HD13 LEU 28 3.230 -6.333 -8.760 208 HD21 LEU 28 HD21 LEU 28 2.743 -4.651 -7.060 209 HD22 LEU 28 HD22 LEU 28 2.890 -5.816 -5.738 210 HD23 LEU 28 HD23 LEU 28 1.407 -4.871 -5.931 211 H ASP 29 HN ASP 29 -0.970 -3.010 -8.621 212 HA ASP 29 HA ASP 29 -1.887 -1.985 -10.389 213 HB2 ASP 29 HB2 ASP 29 -1.354 -4.095 -11.720 214 HB3 ASP 29 HB1 ASP 29 -2.965 -4.655 -11.347 215 H LYS 30 HN LYS 30 -3.352 -3.179 -7.854 216 HA LYS 30 HA LYS 30 -6.085 -2.363 -8.609 217 HB2 LYS 30 HB2 LYS 30 -5.154 -3.654 -6.037 218 HB3 LYS 30 HB1 LYS 30 -6.746 -3.028 -6.474 219 HG2 LYS 30 HG2 LYS 30 -5.464 -5.303 -7.959 220 HG3 LYS 30 HG1 LYS 30 -6.412 -5.536 -6.486 221 HD2 LYS 30 HD2 LYS 30 -8.304 -4.399 -7.564 222 HD3 LYS 30 HD1 LYS 30 -7.361 -4.298 -9.053 223 HE2 LYS 30 HE2 LYS 30 -8.816 -6.191 -9.182 224 HE3 LYS 30 HE1 LYS 30 -7.146 -6.734 -9.048 225 HZ1 LYS 30 HZ1 LYS 30 -9.085 -6.693 -6.753 226 HZ2 LYS 30 HZ2 LYS 30 -7.531 -7.247 -6.676 227 HZ3 LYS 30 HZ3 LYS 30 -8.671 -8.048 -7.627 228 H SER 31 HN SER 31 -6.769 -0.642 -7.874 229 HA SER 31 HA SER 31 -5.143 1.115 -6.228 230 HB2 SER 31 HB2 SER 31 -7.703 1.477 -7.719 231 HB3 SER 31 HB1 SER 31 -7.025 2.759 -6.694 232 HG SER 31 HG SER 31 -5.884 3.246 -8.340 233 H PHE 32 HN PHE 32 -5.308 0.949 -4.196 234 HA PHE 32 HA PHE 32 -6.919 -0.401 -2.566 235 HB2 PHE 32 HB2 PHE 32 -5.613 2.224 -2.026 236 HB3 PHE 32 HB1 PHE 32 -6.258 1.151 -0.803 237 HD1 PHE 32 HD1 PHE 32 -3.553 1.764 -3.170 238 HD2 PHE 32 HD2 PHE 32 -5.092 -0.904 -0.235 239 HE1 PHE 32 HE1 PHE 32 -1.432 0.657 -3.078 240 HE2 PHE 32 HE2 PHE 32 -2.937 -2.030 -0.150 241 HZ PHE 32 HZ PHE 32 -1.053 -1.167 -1.412 242 H THR 33 HN THR 33 -7.404 3.182 -2.835 243 HA THR 33 HA THR 33 -9.911 2.851 -1.501 244 HB THR 33 HB THR 33 -8.584 4.975 -1.267 245 HG1 THR 33 HG1 THR 33 -10.919 4.843 -0.904 246 HG21 THR 33 HG21 THR 33 -7.928 5.245 -3.604 247 HG22 THR 33 HG22 THR 33 -8.768 6.678 -3.013 248 HG23 THR 33 HG23 THR 33 -9.612 5.527 -4.048 249 H ASP 34 HN ASP 34 -8.999 2.804 -4.751 250 HA ASP 34 HA ASP 34 -11.605 3.522 -5.827 251 HB2 ASP 34 HB2 ASP 34 -9.154 2.501 -7.221 252 HB3 ASP 34 HB1 ASP 34 -10.518 3.251 -8.008 253 H ASP 35 HN ASP 35 -9.436 0.759 -6.271 254 HA ASP 35 HA ASP 35 -11.444 -0.953 -7.393 255 HB2 ASP 35 HB2 ASP 35 -8.588 -1.186 -6.631 256 HB3 ASP 35 HB1 ASP 35 -9.425 -2.673 -6.893 257 H LEU 36 HN LEU 36 -9.456 -0.980 -4.505 258 HA LEU 36 HA LEU 36 -10.599 -3.344 -3.436 259 HB2 LEU 36 HB2 LEU 36 -9.137 -1.205 -1.963 260 HB3 LEU 36 HB1 LEU 36 -9.289 -2.836 -1.436 261 HG LEU 36 HG LEU 36 -7.552 -1.679 -3.523 262 HD11 LEU 36 HD11 LEU 36 -7.220 -3.451 -1.172 263 HD12 LEU 36 HD12 LEU 36 -6.927 -1.722 -1.243 264 HD13 LEU 36 HD13 LEU 36 -5.886 -2.836 -2.174 265 HD21 LEU 36 HD21 LEU 36 -8.559 -3.600 -4.577 266 HD22 LEU 36 HD22 LEU 36 -8.184 -4.612 -3.176 267 HD23 LEU 36 HD23 LEU 36 -6.877 -3.920 -4.164 268 H ASP 37 HN ASP 37 -11.034 0.090 -2.831 269 HA ASP 37 HA ASP 37 -12.753 1.263 -2.142 270 HB2 ASP 37 HB2 ASP 37 -14.411 -0.333 -2.952 271 HB3 ASP 37 HB1 ASP 37 -14.042 -1.348 -1.546 272 H VAL 38 HN VAL 38 -10.901 1.457 -0.956 273 HA VAL 38 HA VAL 38 -11.369 1.078 1.946 274 HB VAL 38 HB VAL 38 -8.856 2.138 0.608 275 HG11 VAL 38 HG11 VAL 38 -7.726 1.519 2.696 276 HG12 VAL 38 HG12 VAL 38 -9.272 1.003 3.373 277 HG13 VAL 38 HG13 VAL 38 -9.012 2.699 2.962 278 HG21 VAL 38 HG21 VAL 38 -9.246 -0.085 -0.222 279 HG22 VAL 38 HG22 VAL 38 -9.427 -0.696 1.424 280 HG23 VAL 38 HG23 VAL 38 -7.868 -0.080 0.876 281 H ASP 39 HN ASP 39 -11.130 3.070 3.265 282 HA ASP 39 HA ASP 39 -12.160 5.399 1.923 283 HB2 ASP 39 HB2 ASP 39 -11.042 5.092 4.724 284 HB3 ASP 39 HB1 ASP 39 -11.773 6.566 4.114 285 H SER 40 HN SER 40 -10.958 6.709 0.716 286 HA SER 40 HA SER 40 -8.295 6.713 0.326 287 HB2 SER 40 HB2 SER 40 -8.636 8.569 -0.944 288 HB3 SER 40 HB1 SER 40 -10.272 7.930 -0.830 289 H LEU 41 HN LEU 41 -9.990 8.527 2.837 290 HA LEU 41 HA LEU 41 -7.667 9.903 3.619 291 HB2 LEU 41 HB2 LEU 41 -8.943 10.598 5.659 292 HB3 LEU 41 HB1 LEU 41 -9.726 10.957 4.142 293 HG LEU 41 HG LEU 41 -11.150 8.857 4.585 294 HD11 LEU 41 HD11 LEU 41 -11.462 8.237 6.918 295 HD12 LEU 41 HD12 LEU 41 -10.111 9.276 7.381 296 HD13 LEU 41 HD13 LEU 41 -9.831 7.865 6.360 297 HD21 LEU 41 HD21 LEU 41 -11.410 11.263 6.367 298 HD22 LEU 41 HD22 LEU 41 -12.690 10.104 6.003 299 HD23 LEU 41 HD23 LEU 41 -12.016 11.107 4.716 300 H SER 42 HN SER 42 -8.916 6.774 4.480 301 HA SER 42 HA SER 42 -7.260 6.390 6.799 302 HB2 SER 42 HB2 SER 42 -8.826 4.418 5.127 303 HB3 SER 42 HB1 SER 42 -8.112 4.110 6.701 304 HG SER 42 HG SER 42 -9.567 5.237 7.668 305 H MET 43 HN MET 43 -6.925 6.207 3.472 306 HA MET 43 HA MET 43 -5.193 4.093 3.072 307 HB2 MET 43 HB2 MET 43 -5.489 6.684 1.596 308 HB3 MET 43 HB1 MET 43 -4.448 5.372 1.054 309 HG2 MET 43 HG2 MET 43 -7.366 4.963 1.579 310 HG3 MET 43 HG1 MET 43 -6.726 5.676 0.088 311 HE1 MET 43 HE1 MET 43 -5.266 1.422 1.175 312 HE2 MET 43 HE2 MET 43 -6.100 2.381 2.396 313 HE3 MET 43 HE3 MET 43 -4.521 2.886 1.796 314 H VAL 44 HN VAL 44 -4.586 7.368 4.090 315 HA VAL 44 HA VAL 44 -1.881 7.462 3.733 316 HB VAL 44 HB VAL 44 -3.451 8.708 6.024 317 HG11 VAL 44 HG11 VAL 44 -0.764 9.484 4.889 318 HG12 VAL 44 HG12 VAL 44 -1.057 8.765 6.472 319 HG13 VAL 44 HG13 VAL 44 -1.659 10.383 6.114 320 HG21 VAL 44 HG21 VAL 44 -2.738 9.807 3.307 321 HG22 VAL 44 HG22 VAL 44 -3.560 10.692 4.590 322 HG23 VAL 44 HG23 VAL 44 -4.342 9.303 3.835 323 H GLU 45 HN GLU 45 -3.808 6.305 6.513 324 HA GLU 45 HA GLU 45 -1.864 5.599 8.398 325 HB2 GLU 45 HB2 GLU 45 -4.247 3.852 7.897 326 HB3 GLU 45 HB1 GLU 45 -3.504 4.283 9.420 327 HG2 GLU 45 HG2 GLU 45 -5.206 6.059 7.696 328 HG3 GLU 45 HG1 GLU 45 -5.675 5.188 9.157 329 H VAL 46 HN VAL 46 -3.445 3.748 5.872 330 HA VAL 46 HA VAL 46 -2.318 1.251 6.199 331 HB VAL 46 HB VAL 46 -3.231 2.539 3.614 332 HG11 VAL 46 HG11 VAL 46 -3.044 -0.367 4.347 333 HG12 VAL 46 HG12 VAL 46 -2.031 0.500 3.191 334 HG13 VAL 46 HG13 VAL 46 -3.751 0.284 2.867 335 HG21 VAL 46 HG21 VAL 46 -4.805 1.010 5.673 336 HG22 VAL 46 HG22 VAL 46 -5.398 1.506 4.088 337 HG23 VAL 46 HG23 VAL 46 -4.957 2.726 5.275 338 H VAL 47 HN VAL 47 -1.052 4.066 4.701 339 HA VAL 47 HA VAL 47 0.958 2.733 3.054 340 HB VAL 47 HB VAL 47 0.902 5.662 3.829 341 HG11 VAL 47 HG11 VAL 47 2.201 4.214 1.533 342 HG12 VAL 47 HG12 VAL 47 3.018 4.887 2.945 343 HG13 VAL 47 HG13 VAL 47 2.223 5.959 1.792 344 HG21 VAL 47 HG21 VAL 47 -1.192 5.086 2.752 345 HG22 VAL 47 HG22 VAL 47 -0.310 4.341 1.419 346 HG23 VAL 47 HG23 VAL 47 -0.194 6.080 1.692 347 H VAL 48 HN VAL 48 0.883 4.771 5.906 348 HA VAL 48 HA VAL 48 3.595 4.519 6.556 349 HB VAL 48 HB VAL 48 1.239 4.998 8.419 350 HG11 VAL 48 HG11 VAL 48 3.267 4.381 9.623 351 HG12 VAL 48 HG12 VAL 48 2.875 6.080 9.882 352 HG13 VAL 48 HG13 VAL 48 4.168 5.632 8.768 353 HG21 VAL 48 HG21 VAL 48 1.284 6.631 6.610 354 HG22 VAL 48 HG22 VAL 48 2.979 6.979 6.946 355 HG23 VAL 48 HG23 VAL 48 1.743 7.386 8.137 356 H ALA 49 HN ALA 49 0.739 2.524 7.206 357 HA ALA 49 HA ALA 49 1.967 0.971 9.114 358 HB1 ALA 49 HB1 ALA 49 -0.405 0.334 7.377 359 HB2 ALA 49 HB2 ALA 49 -0.443 1.103 8.962 360 HB3 ALA 49 HB3 ALA 49 0.067 -0.579 8.809 361 H ALA 50 HN ALA 50 1.635 0.849 5.664 362 HA ALA 50 HA ALA 50 2.667 -1.686 5.165 363 HB1 ALA 50 HB1 ALA 50 1.470 -0.389 3.429 364 HB2 ALA 50 HB2 ALA 50 3.053 -0.853 2.851 365 HB3 ALA 50 HB3 ALA 50 2.766 0.792 3.399 366 H GLU 51 HN GLU 51 4.319 1.490 5.067 367 HA GLU 51 HA GLU 51 6.790 0.252 4.634 368 HB2 GLU 51 HB2 GLU 51 7.839 2.463 5.223 369 HB3 GLU 51 HB1 GLU 51 6.805 2.433 3.854 370 HG2 GLU 51 HG2 GLU 51 5.735 4.075 4.606 371 HG3 GLU 51 HG1 GLU 51 5.107 3.106 5.925 372 H GLU 52 HN GLU 52 5.309 1.168 7.642 373 HA GLU 52 HA GLU 52 7.459 0.688 9.355 374 HB2 GLU 52 HB2 GLU 52 4.487 0.391 9.694 375 HB3 GLU 52 HB1 GLU 52 5.588 -0.010 11.004 376 HG2 GLU 52 HG2 GLU 52 5.666 2.640 9.632 377 HG3 GLU 52 HG1 GLU 52 4.531 2.323 10.946 378 H ARG 53 HN ARG 53 5.239 -1.572 7.839 379 HA ARG 53 HA ARG 53 6.388 -3.791 9.289 380 HB2 ARG 53 HB2 ARG 53 3.997 -3.901 8.819 381 HB3 ARG 53 HB1 ARG 53 4.297 -3.765 7.091 382 HG2 ARG 53 HG2 ARG 53 5.487 -5.930 7.155 383 HG3 ARG 53 HG1 ARG 53 5.104 -6.066 8.865 384 HD2 ARG 53 HD2 ARG 53 2.705 -6.243 8.345 385 HD3 ARG 53 HD1 ARG 53 3.027 -5.867 6.673 386 HE ARG 53 HE ARG 53 4.601 -7.997 7.045 387 HH11 ARG 53 HH11 ARG 53 1.129 -7.717 7.903 388 HH12 ARG 53 HH12 ARG 53 0.736 -9.214 7.205 389 HH21 ARG 53 HH21 ARG 53 4.020 -9.976 6.069 390 HH22 ARG 53 HH22 ARG 53 2.437 -10.584 6.192 391 H PHE 54 HN PHE 54 6.675 -2.435 6.045 392 HA PHE 54 HA PHE 54 8.079 -4.846 5.175 393 HB2 PHE 54 HB2 PHE 54 7.410 -2.474 3.463 394 HB3 PHE 54 HB1 PHE 54 7.896 -4.087 2.934 395 HD1 PHE 54 HD2 PHE 54 6.373 -5.785 4.653 396 HD2 PHE 54 HD1 PHE 54 5.272 -2.202 2.703 397 HE1 PHE 54 HE2 PHE 54 4.095 -6.566 4.541 398 HE2 PHE 54 HE1 PHE 54 2.985 -2.950 2.574 399 HZ PHE 54 HZ PHE 54 2.285 -4.944 3.804 400 H ASP 55 HN ASP 55 8.919 -1.914 6.352 401 HA ASP 55 HA ASP 55 11.004 -1.124 6.999 402 HB2 ASP 55 HB2 ASP 55 12.264 -3.136 5.124 403 HB3 ASP 55 HB1 ASP 55 13.155 -1.917 5.988 404 H VAL 56 HN VAL 56 9.532 -0.610 4.265 405 HA VAL 56 HA VAL 56 11.639 1.014 3.125 406 HB VAL 56 HB VAL 56 9.884 -0.153 1.730 407 HG11 VAL 56 HG11 VAL 56 7.981 0.162 3.073 408 HG12 VAL 56 HG12 VAL 56 7.701 0.844 1.470 409 HG13 VAL 56 HG13 VAL 56 8.047 1.906 2.838 410 HG21 VAL 56 HG21 VAL 56 9.488 1.619 0.151 411 HG22 VAL 56 HG22 VAL 56 11.150 1.637 0.745 412 HG23 VAL 56 HG23 VAL 56 9.974 2.823 1.349 413 H LYS 57 HN LYS 57 10.912 3.485 2.785 414 HA LYS 57 HA LYS 57 9.303 4.318 5.058 415 HB2 LYS 57 HB2 LYS 57 11.890 4.721 5.254 416 HB3 LYS 57 HB1 LYS 57 11.612 5.963 4.036 417 HG2 LYS 57 HG2 LYS 57 11.557 6.961 6.220 418 HG3 LYS 57 HG1 LYS 57 9.925 6.988 5.526 419 HD2 LYS 57 HD2 LYS 57 9.479 4.832 6.753 420 HD3 LYS 57 HD1 LYS 57 11.025 5.065 7.560 421 HE2 LYS 57 HE2 LYS 57 9.165 5.744 8.881 422 HE3 LYS 57 HE1 LYS 57 10.220 7.135 8.522 423 HZ1 LYS 57 HZ1 LYS 57 7.688 6.431 7.131 424 HZ2 LYS 57 HZ2 LYS 57 8.531 7.878 6.893 425 HZ3 LYS 57 HZ3 LYS 57 7.788 7.556 8.376 426 H ILE 58 HN ILE 58 7.641 5.513 4.346 427 HA ILE 58 HA ILE 58 7.919 6.339 1.582 428 HB ILE 58 HB ILE 58 5.312 5.510 2.900 429 HG12 ILE 58 HG12 ILE 58 7.011 4.055 0.852 430 HG13 ILE 58 HG11 ILE 58 6.902 3.620 2.551 431 HG21 ILE 58 HG21 ILE 58 5.060 7.175 1.106 432 HG22 ILE 58 HG22 ILE 58 4.437 5.604 0.600 433 HG23 ILE 58 HG23 ILE 58 6.010 6.155 0.025 434 HD11 ILE 58 HD11 ILE 58 4.653 3.555 0.550 435 HD12 ILE 58 HD12 ILE 58 4.522 3.126 2.256 436 HD13 ILE 58 HD13 ILE 58 5.536 2.163 1.179 437 HA PRO 59 HA PRO 59 7.434 10.436 3.521 438 HB2 PRO 59 HB2 PRO 59 7.700 11.727 1.153 439 HB3 PRO 59 HB1 PRO 59 9.114 11.211 2.109 440 HG2 PRO 59 HG2 PRO 59 7.746 9.878 -0.199 441 HG3 PRO 59 HG1 PRO 59 9.501 10.118 0.045 442 HD2 PRO 59 HD2 PRO 59 8.390 7.771 0.550 443 HD3 PRO 59 HD1 PRO 59 9.577 8.439 1.693 444 H ASP 60 HN ASP 60 5.745 11.917 3.388 445 HA ASP 60 HA ASP 60 3.227 11.067 2.632 446 HB2 ASP 60 HB2 ASP 60 4.229 13.898 2.961 447 HB3 ASP 60 HB1 ASP 60 2.535 13.420 2.929 448 H ASP 61 HN ASP 61 5.587 12.890 0.850 449 HA ASP 61 HA ASP 61 4.037 13.636 -1.339 450 HB2 ASP 61 HB2 ASP 61 6.210 14.603 -0.987 451 HB3 ASP 61 HB1 ASP 61 6.987 13.036 -1.181 452 H ASP 62 HN ASP 62 5.896 10.677 -0.767 453 HA ASP 62 HA ASP 62 5.052 9.616 -3.328 454 HB2 ASP 62 HB2 ASP 62 6.912 8.515 -1.253 455 HB3 ASP 62 HB1 ASP 62 6.309 7.517 -2.567 456 H VAL 63 HN VAL 63 4.108 9.391 -0.058 457 HA VAL 63 HA VAL 63 2.562 7.065 0.030 458 HB VAL 63 HB VAL 63 2.022 9.850 1.194 459 HG11 VAL 63 HG11 VAL 63 -0.085 8.658 1.042 460 HG12 VAL 63 HG12 VAL 63 0.442 8.829 2.718 461 HG13 VAL 63 HG13 VAL 63 0.630 7.284 1.885 462 HG21 VAL 63 HG21 VAL 63 3.047 7.342 2.496 463 HG22 VAL 63 HG22 VAL 63 2.725 8.874 3.308 464 HG23 VAL 63 HG23 VAL 63 3.997 8.771 2.089 465 H LYS 64 HN LYS 64 1.753 10.227 -1.133 466 HA LYS 64 HA LYS 64 -0.857 9.455 -2.090 467 HB2 LYS 64 HB2 LYS 64 -1.091 11.778 -2.701 468 HB3 LYS 64 HB1 LYS 64 -0.356 11.676 -1.106 469 HG2 LYS 64 HG2 LYS 64 1.873 11.893 -2.341 470 HG3 LYS 64 HG1 LYS 64 0.901 12.434 -3.706 471 HD2 LYS 64 HD2 LYS 64 -0.105 14.144 -2.075 472 HD3 LYS 64 HD1 LYS 64 1.232 13.656 -1.011 473 HE2 LYS 64 HE2 LYS 64 1.923 15.596 -2.227 474 HE3 LYS 64 HE1 LYS 64 2.824 14.191 -2.794 475 HZ1 LYS 64 HZ1 LYS 64 0.568 15.528 -4.131 476 HZ2 LYS 64 HZ2 LYS 64 1.211 14.059 -4.674 477 HZ3 LYS 64 HZ3 LYS 64 2.180 15.459 -4.638 478 H ASN 65 HN ASN 65 2.096 8.820 -3.296 479 HA ASN 65 HA ASN 65 1.656 9.513 -6.116 480 HB2 ASN 65 HB2 ASN 65 3.916 9.813 -5.036 481 HB3 ASN 65 HB1 ASN 65 3.966 8.085 -4.767 482 HD21 ASN 65 HD21 ASN 65 4.410 10.605 -7.014 483 HD22 ASN 65 HD22 ASN 65 4.978 9.661 -8.338 484 H LEU 66 HN LEU 66 1.228 7.026 -3.853 485 HA LEU 66 HA LEU 66 1.348 4.868 -5.743 486 HB2 LEU 66 HB2 LEU 66 0.541 4.820 -2.830 487 HB3 LEU 66 HB1 LEU 66 1.055 3.471 -3.817 488 HG LEU 66 HG LEU 66 2.791 5.684 -2.708 489 HD11 LEU 66 HD11 LEU 66 2.231 4.021 -1.074 490 HD12 LEU 66 HD12 LEU 66 3.930 3.861 -1.538 491 HD13 LEU 66 HD13 LEU 66 2.747 2.729 -2.150 492 HD21 LEU 66 HD21 LEU 66 3.548 5.132 -4.967 493 HD22 LEU 66 HD22 LEU 66 3.578 3.418 -4.550 494 HD23 LEU 66 HD23 LEU 66 4.689 4.539 -3.761 495 H LYS 67 HN LYS 67 -0.444 4.595 -6.868 496 HA LYS 67 HA LYS 67 -2.912 5.281 -5.520 497 HB2 LYS 67 HB2 LYS 67 -4.090 5.205 -7.779 498 HB3 LYS 67 HB1 LYS 67 -3.006 6.545 -7.506 499 HG2 LYS 67 HG2 LYS 67 -2.164 4.116 -9.075 500 HG3 LYS 67 HG1 LYS 67 -3.078 5.426 -9.817 501 HD2 LYS 67 HD2 LYS 67 -1.279 7.000 -9.045 502 HD3 LYS 67 HD1 LYS 67 -0.353 5.597 -8.520 503 HE2 LYS 67 HE2 LYS 67 -1.263 6.158 -11.351 504 HE3 LYS 67 HE1 LYS 67 0.368 6.389 -10.730 505 HZ1 LYS 67 HZ1 LYS 67 0.431 3.974 -10.264 506 HZ2 LYS 67 HZ2 LYS 67 0.248 4.286 -11.913 507 HZ3 LYS 67 HZ3 LYS 67 -1.068 3.798 -11.015 508 H THR 68 HN THR 68 -1.331 2.634 -7.242 509 HA THR 68 HA THR 68 -3.438 0.858 -6.253 510 HB THR 68 HB THR 68 -2.707 -0.718 -7.875 511 HG1 THR 68 HG1 THR 68 -0.799 1.151 -8.815 512 HG21 THR 68 HG21 THR 68 -4.235 0.961 -8.765 513 HG22 THR 68 HG22 THR 68 -3.106 0.442 -10.016 514 HG23 THR 68 HG23 THR 68 -2.875 1.992 -9.201 515 H VAL 69 HN VAL 69 -2.441 -1.310 -5.845 516 HA VAL 69 HA VAL 69 -0.291 -0.939 -3.999 517 HB VAL 69 HB VAL 69 -1.760 -2.342 -2.931 518 HG11 VAL 69 HG11 VAL 69 -2.338 -3.674 -5.510 519 HG12 VAL 69 HG12 VAL 69 -3.302 -2.435 -4.717 520 HG13 VAL 69 HG13 VAL 69 -3.132 -4.040 -3.975 521 HG21 VAL 69 HG21 VAL 69 -0.193 -4.415 -4.452 522 HG22 VAL 69 HG22 VAL 69 -1.053 -4.691 -2.930 523 HG23 VAL 69 HG23 VAL 69 0.343 -3.608 -2.979 524 H GLY 70 HN GLY 70 -0.749 -1.618 -7.145 525 HA2 GLY 70 HA2 GLY 70 1.622 -3.153 -7.634 526 HA3 GLY 70 HA1 GLY 70 0.793 -2.122 -8.815 527 H ASP 71 HN ASP 71 0.741 0.239 -7.739 528 HA ASP 71 HA ASP 71 3.141 1.518 -8.077 529 HB2 ASP 71 HB2 ASP 71 0.632 2.041 -6.621 530 HB3 ASP 71 HB1 ASP 71 1.876 3.226 -6.527 531 H ALA 72 HN ALA 72 1.381 0.824 -5.100 532 HA ALA 72 HA ALA 72 3.147 1.808 -3.222 533 HB1 ALA 72 HB1 ALA 72 0.845 1.016 -2.726 534 HB2 ALA 72 HB2 ALA 72 2.070 0.364 -1.624 535 HB3 ALA 72 HB3 ALA 72 1.436 -0.645 -2.900 536 H THR 73 HN THR 73 2.799 -1.533 -4.082 537 HA THR 73 HA THR 73 4.900 -2.412 -2.569 538 HB THR 73 HB THR 73 3.792 -3.673 -5.055 539 HG1 THR 73 HG1 THR 73 2.101 -3.574 -3.821 540 HG21 THR 73 HG21 THR 73 5.848 -4.655 -4.276 541 HG22 THR 73 HG22 THR 73 4.474 -5.739 -3.927 542 HG23 THR 73 HG23 THR 73 5.185 -4.726 -2.647 543 H LYS 74 HN LYS 74 4.871 -1.589 -6.028 544 HA LYS 74 HA LYS 74 7.488 -2.370 -6.643 545 HB2 LYS 74 HB2 LYS 74 5.406 -0.720 -7.739 546 HB3 LYS 74 HB1 LYS 74 7.055 -0.336 -8.271 547 HG2 LYS 74 HG2 LYS 74 6.049 -1.811 -9.904 548 HG3 LYS 74 HG1 LYS 74 7.324 -2.650 -9.027 549 HD2 LYS 74 HD2 LYS 74 5.735 -3.901 -7.777 550 HD3 LYS 74 HD1 LYS 74 4.405 -2.893 -8.351 551 HE2 LYS 74 HE2 LYS 74 6.118 -4.681 -10.081 552 HE3 LYS 74 HE1 LYS 74 4.482 -5.047 -9.534 553 HZ1 LYS 74 HZ1 LYS 74 5.194 -2.707 -11.257 554 HZ2 LYS 74 HZ2 LYS 74 3.641 -3.186 -10.803 555 HZ3 LYS 74 HZ3 LYS 74 4.547 -4.153 -11.816 556 H TYR 75 HN TYR 75 6.145 0.377 -5.083 557 HA TYR 75 HA TYR 75 8.491 1.969 -5.334 558 HB2 TYR 75 HB2 TYR 75 6.251 2.971 -5.089 559 HB3 TYR 75 HB1 TYR 75 6.096 2.197 -3.545 560 HD1 TYR 75 HD1 TYR 75 8.367 4.592 -5.261 561 HD2 TYR 75 HD2 TYR 75 6.690 3.241 -1.606 562 HE1 TYR 75 HE1 TYR 75 9.470 6.430 -4.081 563 HE2 TYR 75 HE2 TYR 75 7.765 5.056 -0.414 564 HH TYR 75 HH TYR 75 9.149 7.715 -1.998 565 H ILE 76 HN ILE 76 6.824 0.257 -2.807 566 HA ILE 76 HA ILE 76 8.409 0.700 -0.627 567 HB ILE 76 HB ILE 76 6.722 -1.657 -1.422 568 HG12 ILE 76 HG12 ILE 76 6.164 0.442 0.632 569 HG13 ILE 76 HG11 ILE 76 5.803 0.701 -1.068 570 HG21 ILE 76 HG21 ILE 76 8.315 -2.406 0.284 571 HG22 ILE 76 HG22 ILE 76 6.685 -2.295 0.954 572 HG23 ILE 76 HG23 ILE 76 7.873 -1.038 1.305 573 HD11 ILE 76 HD11 ILE 76 4.377 -1.220 -1.062 574 HD12 ILE 76 HD12 ILE 76 3.846 -0.066 0.171 575 HD13 ILE 76 HD13 ILE 76 4.738 -1.542 0.636 576 H LEU 77 HN LEU 77 8.466 -2.347 -2.523 577 HA LEU 77 HA LEU 77 10.606 -3.561 -1.383 578 HB2 LEU 77 HB2 LEU 77 9.496 -4.905 -2.448 579 HB3 LEU 77 HB1 LEU 77 8.778 -3.971 -3.653 580 HG LEU 77 HG LEU 77 11.230 -5.738 -3.615 581 HD11 LEU 77 HD11 LEU 77 8.838 -5.436 -5.360 582 HD12 LEU 77 HD12 LEU 77 8.996 -6.589 -4.022 583 HD13 LEU 77 HD13 LEU 77 10.009 -6.759 -5.484 584 HD21 LEU 77 HD21 LEU 77 11.760 -5.157 -5.948 585 HD22 LEU 77 HD22 LEU 77 11.948 -3.730 -4.929 586 HD23 LEU 77 HD23 LEU 77 10.511 -3.909 -5.935 587 H ASP 78 HN ASP 78 10.400 -1.418 -3.923 588 HA ASP 78 HA ASP 78 13.051 -1.710 -4.991 589 HB2 ASP 78 HB2 ASP 78 11.468 -1.139 -6.524 590 HB3 ASP 78 HB1 ASP 78 10.729 0.118 -5.578 591 H HIS 79 HN HIS 79 11.596 0.288 -2.616 592 HA HIS 79 HA HIS 79 14.075 1.778 -2.392 593 HB2 HIS 79 HB2 HIS 79 11.300 2.410 -1.468 594 HB3 HIS 79 HB1 HIS 79 12.686 3.223 -0.768 595 HD1 HIS 79 HD1 HIS 79 13.373 5.305 -1.954 596 HD2 HIS 79 HD2 HIS 79 11.235 2.754 -4.427 597 HE1 HIS 79 HE1 HIS 79 13.042 6.566 -4.106 598 HE2 HIS 79 HE2 HIS 79 12.239 4.774 -5.649 599 H GLN 80 HN GLN 80 12.621 -0.929 -0.951 600 HA GLN 80 HA GLN 80 13.538 -0.476 1.771 601 HB2 GLN 80 HB2 GLN 80 13.204 -3.097 0.468 602 HB3 GLN 80 HB1 GLN 80 13.132 -2.737 2.168 603 HG2 GLN 80 HG2 GLN 80 10.953 -1.759 1.914 604 HG3 GLN 80 HG1 GLN 80 11.125 -1.893 0.155 605 HE21 GLN 80 HE21 GLN 80 9.160 -3.052 1.781 606 HE22 GLN 80 HE22 GLN 80 9.252 -4.789 1.587 607 H ALA 81 HN ALA 81 14.287 -2.633 -0.586 608 HA ALA 81 HA ALA 81 17.108 -2.704 0.257 609 HB1 ALA 81 HB1 ALA 81 15.963 -4.785 0.802 610 HB2 ALA 81 HB2 ALA 81 17.198 -5.058 -0.428 611 HB3 ALA 81 HB3 ALA 81 15.495 -4.986 -0.888 612 H1 SYO 101 H1A SYO 101 -3.789 7.235 0.546 613 H1A SYO 101 H1B SYO 101 -2.168 6.816 1.124 614 H2 SYO 101 H2A SYO 101 -1.321 6.973 -1.058 615 H2A SYO 101 H2B SYO 101 -2.806 7.656 -1.715 616 H4 SYO 101 H4A SYO 101 -0.904 5.075 -1.569 617 H4A SYO 101 H4B SYO 101 -2.100 4.266 -2.569 618 H5 SYO 101 H5A SYO 101 -2.494 2.660 -0.957 619 H5A SYO 101 H5B SYO 101 -2.215 3.803 0.365 620 H6 SYO 101 H6A SYO 101 0.196 3.752 -0.158 621 H6A SYO 101 H6B SYO 101 -0.120 2.530 -1.389 622 H7 SYO 101 H7A SYO 101 -0.892 0.974 0.268 623 H7A SYO 101 H7B SYO 101 -0.752 2.212 1.538 624 H8 SYO 101 H8C SYO 101 1.490 1.116 -0.155 625 H8A SYO 101 H8A SYO 101 1.174 0.698 1.528 626 H8B SYO 101 H8B SYO 101 1.653 2.342 1.102 627 H28 SYO 101 H28A SYO 101 -7.686 12.254 -1.959 628 H28A SYO 101 H28B SYO 101 -6.871 10.710 -2.205 629 H30 SYO 101 H30A SYO 101 -8.841 13.263 -3.730 630 H30A SYO 101 H30B SYO 101 -10.050 12.018 -3.401 631 H30B SYO 101 H30C SYO 101 -9.528 12.316 -5.064 632 H31 SYO 101 H31A SYO 101 -6.144 10.890 -4.414 633 H31A SYO 101 H31B SYO 101 -6.553 12.608 -4.335 634 H31B SYO 101 H31C SYO 101 -7.120 11.617 -5.696 635 H32 SYO 101 H32A SYO 101 -9.375 9.457 -3.606 636 HO33 SYO 101 H33A SYO 101 -8.829 9.244 -6.087 637 HN36 SYO 101 H36A SYO 101 -7.264 8.944 -2.598 638 H37 SYO 101 H37A SYO 101 -5.729 7.205 -2.295 639 H37A SYO 101 H37B SYO 101 -6.298 6.519 -3.814 640 H38 SYO 101 H38A SYO 101 -3.918 7.074 -3.818 641 H38A SYO 101 H38B SYO 101 -4.793 7.953 -5.084 642 HN41 SYO 101 H41A SYO 101 -4.530 8.480 -1.682 643 H42 SYO 101 H42A SYO 101 -2.634 10.590 -1.709 644 H42A SYO 101 H42B SYO 101 -4.285 11.147 -1.642 645 H43 SYO 101 H43A SYO 101 -4.683 9.529 0.218 646 H43A SYO 101 H43B SYO 101 -3.826 11.024 0.550 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 11.375 -5.049 4.944 2 H2 ALA 1 HT2 ALA 1 12.135 -6.485 5.437 3 H3 ALA 1 HT3 ALA 1 10.804 -6.540 4.391 4 HA ALA 1 HA ALA 1 11.996 -5.448 2.688 5 HB1 ALA 1 HB1 ALA 1 13.574 -4.194 4.087 6 HB2 ALA 1 HB2 ALA 1 14.416 -5.162 2.876 7 HB3 ALA 1 HB3 ALA 1 14.357 -5.704 4.553 8 H ALA 2 HN ALA 2 11.554 -7.168 1.532 9 HA ALA 2 HA ALA 2 13.436 -9.328 1.484 10 HB1 ALA 2 HB1 ALA 2 11.914 -10.140 3.236 11 HB2 ALA 2 HB2 ALA 2 11.806 -11.137 1.786 12 HB3 ALA 2 HB3 ALA 2 10.549 -9.948 2.137 13 H THR 3 HN THR 3 10.035 -8.962 0.463 14 HA THR 3 HA THR 3 10.745 -8.317 -2.155 15 HB THR 3 HB THR 3 11.399 -10.708 -2.197 16 HG1 THR 3 HG1 THR 3 10.794 -10.712 -4.146 17 HG21 THR 3 HG21 THR 3 9.819 -11.579 -0.540 18 HG22 THR 3 HG22 THR 3 9.668 -12.460 -2.062 19 HG23 THR 3 HG23 THR 3 8.474 -11.233 -1.629 20 H GLN 4 HN GLN 4 8.686 -8.520 -3.563 21 HA GLN 4 HA GLN 4 6.537 -7.148 -2.658 22 HB2 GLN 4 HB2 GLN 4 6.898 -7.424 -4.981 23 HB3 GLN 4 HB1 GLN 4 6.766 -9.164 -4.874 24 HG2 GLN 4 HG2 GLN 4 4.383 -7.613 -4.112 25 HG3 GLN 4 HG1 GLN 4 4.819 -7.559 -5.809 26 HE21 GLN 4 HE21 GLN 4 3.478 -9.459 -3.242 27 HE22 GLN 4 HE22 GLN 4 3.187 -10.874 -4.161 28 H GLU 5 HN GLU 5 6.799 -10.693 -2.554 29 HA GLU 5 HA GLU 5 4.273 -11.196 -1.518 30 HB2 GLU 5 HB2 GLU 5 6.825 -12.736 -1.301 31 HB3 GLU 5 HB1 GLU 5 5.365 -13.295 -0.489 32 HG2 GLU 5 HG2 GLU 5 5.649 -12.775 -3.436 33 HG3 GLU 5 HG1 GLU 5 5.637 -14.360 -2.660 34 H GLU 6 HN GLU 6 6.912 -9.829 0.120 35 HA GLU 6 HA GLU 6 5.852 -10.243 2.774 36 HB2 GLU 6 HB2 GLU 6 8.215 -9.868 2.527 37 HB3 GLU 6 HB1 GLU 6 7.940 -8.422 1.579 38 HG2 GLU 6 HG2 GLU 6 6.964 -7.368 3.616 39 HG3 GLU 6 HG1 GLU 6 7.463 -8.804 4.517 40 H ILE 7 HN ILE 7 5.699 -7.886 0.206 41 HA ILE 7 HA ILE 7 4.805 -5.725 1.832 42 HB ILE 7 HB ILE 7 4.994 -6.075 -1.159 43 HG12 ILE 7 HG12 ILE 7 6.928 -4.750 0.737 44 HG13 ILE 7 HG11 ILE 7 7.081 -6.425 0.237 45 HG21 ILE 7 HG21 ILE 7 5.025 -3.624 -1.174 46 HG22 ILE 7 HG22 ILE 7 4.787 -3.612 0.573 47 HG23 ILE 7 HG23 ILE 7 3.523 -4.241 -0.486 48 HD11 ILE 7 HD11 ILE 7 8.549 -4.932 -1.082 49 HD12 ILE 7 HD12 ILE 7 7.153 -4.019 -1.593 50 HD13 ILE 7 HD13 ILE 7 7.345 -5.684 -2.100 51 H VAL 8 HN VAL 8 3.360 -7.229 -1.053 52 HA VAL 8 HA VAL 8 0.800 -6.163 -0.681 53 HB VAL 8 HB VAL 8 1.497 -8.740 -2.107 54 HG11 VAL 8 HG11 VAL 8 -0.902 -8.469 -1.753 55 HG12 VAL 8 HG12 VAL 8 -0.488 -8.295 -3.460 56 HG13 VAL 8 HG13 VAL 8 -0.834 -6.867 -2.488 57 HG21 VAL 8 HG21 VAL 8 1.444 -5.916 -3.124 58 HG22 VAL 8 HG22 VAL 8 1.694 -7.358 -4.116 59 HG23 VAL 8 HG23 VAL 8 2.868 -6.909 -2.873 60 H ALA 9 HN ALA 9 1.963 -9.333 0.251 61 HA ALA 9 HA ALA 9 -0.342 -10.308 1.352 62 HB1 ALA 9 HB1 ALA 9 1.678 -11.609 1.062 63 HB2 ALA 9 HB2 ALA 9 1.061 -11.741 2.713 64 HB3 ALA 9 HB3 ALA 9 2.453 -10.711 2.365 65 H GLY 10 HN GLY 10 1.948 -7.987 2.770 66 HA2 GLY 10 HA2 GLY 10 0.703 -8.216 5.292 67 HA3 GLY 10 HA1 GLY 10 2.074 -7.181 4.901 68 H LEU 11 HN LEU 11 0.975 -5.924 2.699 69 HA LEU 11 HA LEU 11 -0.277 -3.730 3.847 70 HB2 LEU 11 HB2 LEU 11 0.945 -4.449 1.468 71 HB3 LEU 11 HB1 LEU 11 -0.727 -4.179 1.038 72 HG LEU 11 HG LEU 11 1.013 -2.125 2.413 73 HD11 LEU 11 HD11 LEU 11 1.094 -1.034 0.228 74 HD12 LEU 11 HD12 LEU 11 0.208 -2.382 -0.485 75 HD13 LEU 11 HD13 LEU 11 1.827 -2.638 0.161 76 HD21 LEU 11 HD21 LEU 11 -1.377 -1.864 2.820 77 HD22 LEU 11 HD22 LEU 11 -1.675 -1.917 1.083 78 HD23 LEU 11 HD23 LEU 11 -0.747 -0.585 1.781 79 H ALA 12 HN ALA 12 -1.478 -6.518 2.004 80 HA ALA 12 HA ALA 12 -4.171 -5.850 1.707 81 HB1 ALA 12 HB1 ALA 12 -4.583 -8.226 1.618 82 HB2 ALA 12 HB2 ALA 12 -2.971 -8.556 2.243 83 HB3 ALA 12 HB3 ALA 12 -3.167 -7.805 0.646 84 H GLU 13 HN GLU 13 -2.494 -7.505 4.343 85 HA GLU 13 HA GLU 13 -4.794 -7.966 5.871 86 HB2 GLU 13 HB2 GLU 13 -1.912 -7.893 6.680 87 HB3 GLU 13 HB1 GLU 13 -3.222 -8.393 7.739 88 HG2 GLU 13 HG2 GLU 13 -3.795 -10.161 6.185 89 HG3 GLU 13 HG1 GLU 13 -2.462 -9.688 5.145 90 H ILE 14 HN ILE 14 -2.586 -5.362 5.766 91 HA ILE 14 HA ILE 14 -3.607 -4.019 8.053 92 HB ILE 14 HB ILE 14 -2.289 -2.813 5.595 93 HG12 ILE 14 HG12 ILE 14 -0.997 -3.621 8.200 94 HG13 ILE 14 HG11 ILE 14 -1.067 -4.680 6.799 95 HG21 ILE 14 HG21 ILE 14 -3.427 -1.186 7.031 96 HG22 ILE 14 HG22 ILE 14 -1.675 -1.014 7.095 97 HG23 ILE 14 HG23 ILE 14 -2.532 -1.794 8.433 98 HD11 ILE 14 HD11 ILE 14 0.137 -3.066 5.505 99 HD12 ILE 14 HD12 ILE 14 1.039 -3.594 6.928 100 HD13 ILE 14 HD13 ILE 14 0.262 -1.997 6.912 101 H VAL 15 HN VAL 15 -4.521 -4.060 4.648 102 HA VAL 15 HA VAL 15 -6.397 -1.903 4.844 103 HB VAL 15 HB VAL 15 -6.117 -4.003 2.654 104 HG11 VAL 15 HG11 VAL 15 -7.574 -1.367 2.626 105 HG12 VAL 15 HG12 VAL 15 -8.317 -2.969 2.625 106 HG13 VAL 15 HG13 VAL 15 -7.351 -2.444 1.246 107 HG21 VAL 15 HG21 VAL 15 -4.965 -2.279 1.418 108 HG22 VAL 15 HG22 VAL 15 -4.142 -2.662 2.940 109 HG23 VAL 15 HG23 VAL 15 -5.119 -1.186 2.803 110 H ASN 16 HN ASN 16 -6.452 -5.259 5.374 111 HA ASN 16 HA ASN 16 -9.246 -5.765 5.295 112 HB2 ASN 16 HB2 ASN 16 -7.409 -7.084 7.345 113 HB3 ASN 16 HB1 ASN 16 -8.920 -7.664 6.691 114 HD21 ASN 16 HD21 ASN 16 -8.231 -7.025 4.063 115 HD22 ASN 16 HD22 ASN 16 -6.985 -8.192 3.597 116 H GLU 17 HN GLU 17 -7.142 -4.462 7.727 117 HA GLU 17 HA GLU 17 -9.233 -4.211 9.696 118 HB2 GLU 17 HB2 GLU 17 -6.406 -3.189 9.715 119 HB3 GLU 17 HB1 GLU 17 -7.503 -3.205 11.089 120 HG2 GLU 17 HG2 GLU 17 -6.403 -5.575 9.622 121 HG3 GLU 17 HG1 GLU 17 -6.016 -5.065 11.273 122 H ILE 18 HN ILE 18 -7.268 -2.009 7.792 123 HA ILE 18 HA ILE 18 -8.224 0.444 8.646 124 HB ILE 18 HB ILE 18 -7.192 -0.460 5.950 125 HG12 ILE 18 HG12 ILE 18 -5.659 -0.512 7.913 126 HG13 ILE 18 HG11 ILE 18 -5.117 0.551 6.619 127 HG21 ILE 18 HG21 ILE 18 -6.841 1.880 5.334 128 HG22 ILE 18 HG22 ILE 18 -7.671 2.391 6.792 129 HG23 ILE 18 HG23 ILE 18 -8.561 1.522 5.535 130 HD11 ILE 18 HD11 ILE 18 -4.742 1.518 8.812 131 HD12 ILE 18 HD12 ILE 18 -6.454 1.352 9.201 132 HD13 ILE 18 HD13 ILE 18 -5.942 2.462 7.929 133 H ALA 19 HN ALA 19 -9.464 -1.495 5.932 134 HA ALA 19 HA ALA 19 -11.917 0.133 6.047 135 HB1 ALA 19 HB1 ALA 19 -10.657 0.554 3.995 136 HB2 ALA 19 HB2 ALA 19 -12.202 -0.234 3.662 137 HB3 ALA 19 HB3 ALA 19 -10.708 -1.169 3.616 138 H GLY 20 HN GLY 20 -10.711 -2.998 4.944 139 HA2 GLY 20 HA2 GLY 20 -11.883 -4.875 6.232 140 HA3 GLY 20 HA1 GLY 20 -13.346 -4.135 5.614 141 H ILE 21 HN ILE 21 -10.302 -4.551 3.984 142 HA ILE 21 HA ILE 21 -11.607 -5.821 1.783 143 HB ILE 21 HB ILE 21 -8.922 -4.764 2.362 144 HG12 ILE 21 HG12 ILE 21 -9.049 -3.979 0.039 145 HG13 ILE 21 HG11 ILE 21 -10.509 -4.926 -0.201 146 HG21 ILE 21 HG21 ILE 21 -8.160 -6.996 1.938 147 HG22 ILE 21 HG22 ILE 21 -7.733 -5.971 0.580 148 HG23 ILE 21 HG23 ILE 21 -9.095 -7.086 0.450 149 HD11 ILE 21 HD11 ILE 21 -10.197 -2.612 1.698 150 HD12 ILE 21 HD12 ILE 21 -11.666 -3.555 1.444 151 HD13 ILE 21 HD13 ILE 21 -11.009 -2.577 0.134 152 HA PRO 22 HA PRO 22 -11.102 -9.933 3.329 153 HB2 PRO 22 HB2 PRO 22 -11.306 -10.836 0.602 154 HB3 PRO 22 HB1 PRO 22 -12.539 -10.989 1.902 155 HG2 PRO 22 HG2 PRO 22 -12.889 -9.418 -0.281 156 HG3 PRO 22 HG1 PRO 22 -13.466 -8.910 1.317 157 HD2 PRO 22 HD2 PRO 22 -10.971 -8.137 -0.101 158 HD3 PRO 22 HD1 PRO 22 -12.155 -7.107 0.737 159 H VAL 23 HN VAL 23 -8.642 -8.654 2.477 160 HA VAL 23 HA VAL 23 -6.459 -8.945 1.971 161 HB VAL 23 HB VAL 23 -6.712 -10.369 4.011 162 HG11 VAL 23 HG11 VAL 23 -6.423 -12.783 3.890 163 HG12 VAL 23 HG12 VAL 23 -6.594 -12.698 2.136 164 HG13 VAL 23 HG13 VAL 23 -7.940 -12.232 3.176 165 HG21 VAL 23 HG21 VAL 23 -4.509 -9.751 3.281 166 HG22 VAL 23 HG22 VAL 23 -4.454 -11.125 2.177 167 HG23 VAL 23 HG23 VAL 23 -4.480 -11.397 3.920 168 H GLU 24 HN GLU 24 -8.443 -10.773 0.081 169 HA GLU 24 HA GLU 24 -6.286 -11.814 -1.588 170 HB2 GLU 24 HB2 GLU 24 -8.069 -12.929 -2.818 171 HB3 GLU 24 HB1 GLU 24 -8.185 -13.248 -1.091 172 HG2 GLU 24 HG2 GLU 24 -9.980 -11.614 -0.886 173 HG3 GLU 24 HG1 GLU 24 -9.827 -11.217 -2.595 174 H ASP 25 HN ASP 25 -8.257 -9.066 -1.430 175 HA ASP 25 HA ASP 25 -8.549 -8.805 -4.321 176 HB2 ASP 25 HB2 ASP 25 -10.400 -8.184 -2.757 177 HB3 ASP 25 HB1 ASP 25 -9.417 -6.837 -2.214 178 H VAL 26 HN VAL 26 -6.639 -7.699 -1.812 179 HA VAL 26 HA VAL 26 -5.509 -5.408 -3.155 180 HB VAL 26 HB VAL 26 -4.289 -6.992 -0.848 181 HG11 VAL 26 HG11 VAL 26 -3.120 -4.896 -0.331 182 HG12 VAL 26 HG12 VAL 26 -3.777 -4.174 -1.806 183 HG13 VAL 26 HG13 VAL 26 -2.644 -5.521 -1.917 184 HG21 VAL 26 HG21 VAL 26 -6.497 -6.186 -0.262 185 HG22 VAL 26 HG22 VAL 26 -6.050 -4.559 -0.772 186 HG23 VAL 26 HG23 VAL 26 -5.250 -5.301 0.616 187 H LYS 27 HN LYS 27 -4.875 -6.023 -5.105 188 HA LYS 27 HA LYS 27 -2.690 -7.964 -5.353 189 HB2 LYS 27 HB2 LYS 27 -5.153 -8.413 -6.348 190 HB3 LYS 27 HB1 LYS 27 -4.574 -7.292 -7.573 191 HG2 LYS 27 HG2 LYS 27 -4.223 -9.519 -8.342 192 HG3 LYS 27 HG1 LYS 27 -2.655 -8.784 -7.991 193 HD2 LYS 27 HD2 LYS 27 -2.670 -11.043 -7.125 194 HD3 LYS 27 HD1 LYS 27 -2.682 -9.915 -5.772 195 HE2 LYS 27 HE2 LYS 27 -5.146 -10.195 -5.611 196 HE3 LYS 27 HE1 LYS 27 -5.062 -11.398 -6.893 197 HZ1 LYS 27 HZ1 LYS 27 -3.573 -12.709 -5.442 198 HZ2 LYS 27 HZ2 LYS 27 -5.111 -12.508 -4.822 199 HZ3 LYS 27 HZ3 LYS 27 -3.842 -11.587 -4.188 200 H LEU 28 HN LEU 28 -1.280 -7.209 -7.238 201 HA LEU 28 HA LEU 28 -0.850 -4.450 -7.003 202 HB2 LEU 28 HB2 LEU 28 0.321 -6.444 -8.952 203 HB3 LEU 28 HB1 LEU 28 0.780 -4.762 -8.900 204 HG LEU 28 HG LEU 28 1.522 -5.188 -6.498 205 HD11 LEU 28 HD11 LEU 28 1.280 -8.048 -7.381 206 HD12 LEU 28 HD12 LEU 28 0.400 -7.262 -6.061 207 HD13 LEU 28 HD13 LEU 28 2.146 -7.484 -5.953 208 HD21 LEU 28 HD21 LEU 28 3.079 -4.878 -8.326 209 HD22 LEU 28 HD22 LEU 28 2.950 -6.583 -8.750 210 HD23 LEU 28 HD23 LEU 28 3.670 -6.109 -7.212 211 H ASP 29 HN ASP 29 -0.985 -2.906 -8.521 212 HA ASP 29 HA ASP 29 -1.932 -1.613 -10.070 213 HB2 ASP 29 HB2 ASP 29 -1.428 -3.476 -11.663 214 HB3 ASP 29 HB1 ASP 29 -3.015 -4.142 -11.355 215 H LYS 30 HN LYS 30 -3.353 -2.946 -7.660 216 HA LYS 30 HA LYS 30 -6.051 -2.027 -8.348 217 HB2 LYS 30 HB2 LYS 30 -5.184 -3.315 -5.755 218 HB3 LYS 30 HB1 LYS 30 -6.749 -2.658 -6.274 219 HG2 LYS 30 HG2 LYS 30 -5.438 -4.992 -7.655 220 HG3 LYS 30 HG1 LYS 30 -6.538 -5.172 -6.284 221 HD2 LYS 30 HD2 LYS 30 -8.279 -3.996 -7.537 222 HD3 LYS 30 HD1 LYS 30 -7.198 -3.878 -8.927 223 HE2 LYS 30 HE2 LYS 30 -8.686 -5.755 -9.219 224 HE3 LYS 30 HE1 LYS 30 -7.042 -6.341 -8.962 225 HZ1 LYS 30 HZ1 LYS 30 -7.732 -6.633 -6.528 226 HZ2 LYS 30 HZ2 LYS 30 -8.335 -7.688 -7.635 227 HZ3 LYS 30 HZ3 LYS 30 -9.335 -6.479 -7.048 228 H SER 31 HN SER 31 -6.600 -0.326 -7.829 229 HA SER 31 HA SER 31 -4.907 1.735 -6.765 230 HB2 SER 31 HB2 SER 31 -7.719 1.760 -7.726 231 HB3 SER 31 HB1 SER 31 -6.761 3.212 -7.456 232 HG SER 31 HG SER 31 -6.638 1.218 -9.376 233 H PHE 32 HN PHE 32 -5.958 -0.208 -4.753 234 HA PHE 32 HA PHE 32 -6.948 -0.370 -2.735 235 HB2 PHE 32 HB2 PHE 32 -5.525 2.264 -2.560 236 HB3 PHE 32 HB1 PHE 32 -6.269 1.491 -1.176 237 HD1 PHE 32 HD2 PHE 32 -5.317 -0.565 -0.262 238 HD2 PHE 32 HD1 PHE 32 -3.458 1.448 -3.525 239 HE1 PHE 32 HE2 PHE 32 -3.276 -1.842 0.084 240 HE2 PHE 32 HE1 PHE 32 -1.447 0.186 -3.173 241 HZ PHE 32 HZ PHE 32 -1.290 -1.382 -1.255 242 H THR 33 HN THR 33 -7.371 3.068 -2.550 243 HA THR 33 HA THR 33 -10.137 2.739 -1.866 244 HB THR 33 HB THR 33 -8.766 4.374 -0.678 245 HG1 THR 33 HG1 THR 33 -10.968 4.825 -0.837 246 HG21 THR 33 HG21 THR 33 -8.036 6.467 -1.741 247 HG22 THR 33 HG22 THR 33 -8.587 5.849 -3.297 248 HG23 THR 33 HG23 THR 33 -7.259 5.054 -2.452 249 H ASP 34 HN ASP 34 -9.792 1.818 -4.358 250 HA ASP 34 HA ASP 34 -11.766 3.340 -5.782 251 HB2 ASP 34 HB2 ASP 34 -9.616 4.408 -6.523 252 HB3 ASP 34 HB1 ASP 34 -9.142 2.849 -7.194 253 H ASP 35 HN ASP 35 -9.284 0.908 -6.248 254 HA ASP 35 HA ASP 35 -11.099 -0.768 -7.740 255 HB2 ASP 35 HB2 ASP 35 -8.232 -1.085 -6.945 256 HB3 ASP 35 HB1 ASP 35 -9.113 -2.407 -7.654 257 H LEU 36 HN LEU 36 -9.758 -0.681 -4.514 258 HA LEU 36 HA LEU 36 -10.744 -3.344 -3.974 259 HB2 LEU 36 HB2 LEU 36 -9.579 -1.371 -2.007 260 HB3 LEU 36 HB1 LEU 36 -9.782 -3.097 -1.769 261 HG LEU 36 HG LEU 36 -7.842 -1.669 -3.543 262 HD11 LEU 36 HD11 LEU 36 -7.241 -1.651 -1.208 263 HD12 LEU 36 HD12 LEU 36 -6.149 -2.683 -2.121 264 HD13 LEU 36 HD13 LEU 36 -7.416 -3.403 -1.127 265 HD21 LEU 36 HD21 LEU 36 -8.267 -4.631 -3.236 266 HD22 LEU 36 HD22 LEU 36 -6.915 -3.849 -4.074 267 HD23 LEU 36 HD23 LEU 36 -8.561 -3.647 -4.675 268 H ASP 37 HN ASP 37 -11.025 -0.657 -1.739 269 HA ASP 37 HA ASP 37 -13.403 0.428 -1.839 270 HB2 ASP 37 HB2 ASP 37 -14.463 -1.920 -1.880 271 HB3 ASP 37 HB1 ASP 37 -13.821 -2.155 -0.260 272 H VAL 38 HN VAL 38 -11.435 1.434 -0.951 273 HA VAL 38 HA VAL 38 -11.280 0.967 1.958 274 HB VAL 38 HB VAL 38 -9.061 2.189 0.350 275 HG11 VAL 38 HG11 VAL 38 -9.092 0.820 3.034 276 HG12 VAL 38 HG12 VAL 38 -8.953 2.553 2.736 277 HG13 VAL 38 HG13 VAL 38 -7.660 1.466 2.232 278 HG21 VAL 38 HG21 VAL 38 -7.945 0.021 0.260 279 HG22 VAL 38 HG22 VAL 38 -9.494 0.020 -0.602 280 HG23 VAL 38 HG23 VAL 38 -9.370 -0.739 0.982 281 H ASP 39 HN ASP 39 -11.154 2.760 3.271 282 HA ASP 39 HA ASP 39 -12.272 5.197 2.329 283 HB2 ASP 39 HB2 ASP 39 -10.915 4.543 4.954 284 HB3 ASP 39 HB1 ASP 39 -11.843 5.992 4.624 285 H SER 40 HN SER 40 -11.062 6.376 1.020 286 HA SER 40 HA SER 40 -8.491 6.757 0.537 287 HB2 SER 40 HB2 SER 40 -10.175 7.809 -0.626 288 HB3 SER 40 HB1 SER 40 -10.662 8.753 0.803 289 H LEU 41 HN LEU 41 -10.139 8.508 3.209 290 HA LEU 41 HA LEU 41 -7.843 9.879 3.971 291 HB2 LEU 41 HB2 LEU 41 -8.967 10.464 6.046 292 HB3 LEU 41 HB1 LEU 41 -10.043 10.648 4.686 293 HG LEU 41 HG LEU 41 -10.144 8.177 6.368 294 HD11 LEU 41 HD11 LEU 41 -11.854 9.305 7.771 295 HD12 LEU 41 HD12 LEU 41 -11.541 10.812 6.912 296 HD13 LEU 41 HD13 LEU 41 -10.284 10.092 7.916 297 HD21 LEU 41 HD21 LEU 41 -12.588 8.369 5.800 298 HD22 LEU 41 HD22 LEU 41 -11.552 8.009 4.457 299 HD23 LEU 41 HD23 LEU 41 -12.165 9.661 4.682 300 H SER 42 HN SER 42 -9.005 6.697 4.854 301 HA SER 42 HA SER 42 -7.164 6.394 7.033 302 HB2 SER 42 HB2 SER 42 -8.891 4.301 5.703 303 HB3 SER 42 HB1 SER 42 -8.167 4.248 7.303 304 HG SER 42 HG SER 42 -9.347 6.148 7.819 305 H MET 43 HN MET 43 -7.040 6.099 3.689 306 HA MET 43 HA MET 43 -5.330 3.932 3.249 307 HB2 MET 43 HB2 MET 43 -5.683 6.512 1.733 308 HB3 MET 43 HB1 MET 43 -4.662 5.200 1.176 309 HG2 MET 43 HG2 MET 43 -7.522 4.649 1.795 310 HG3 MET 43 HG1 MET 43 -7.057 5.555 0.349 311 HE1 MET 43 HE1 MET 43 -5.270 1.353 0.925 312 HE2 MET 43 HE2 MET 43 -6.077 2.190 2.261 313 HE3 MET 43 HE3 MET 43 -4.568 2.818 1.598 314 H VAL 44 HN VAL 44 -4.763 7.236 4.107 315 HA VAL 44 HA VAL 44 -2.039 7.433 3.790 316 HB VAL 44 HB VAL 44 -3.680 8.626 6.051 317 HG11 VAL 44 HG11 VAL 44 -1.021 9.512 4.922 318 HG12 VAL 44 HG12 VAL 44 -1.283 8.780 6.507 319 HG13 VAL 44 HG13 VAL 44 -1.961 10.367 6.147 320 HG21 VAL 44 HG21 VAL 44 -3.004 9.718 3.319 321 HG22 VAL 44 HG22 VAL 44 -3.860 10.594 4.587 322 HG23 VAL 44 HG23 VAL 44 -4.590 9.164 3.854 323 H GLU 45 HN GLU 45 -3.859 6.211 6.608 324 HA GLU 45 HA GLU 45 -1.797 5.659 8.422 325 HB2 GLU 45 HB2 GLU 45 -4.295 4.025 8.018 326 HB3 GLU 45 HB1 GLU 45 -3.300 4.077 9.456 327 HG2 GLU 45 HG2 GLU 45 -4.989 6.291 8.354 328 HG3 GLU 45 HG1 GLU 45 -5.307 5.250 9.747 329 H VAL 46 HN VAL 46 -3.394 3.548 6.134 330 HA VAL 46 HA VAL 46 -1.747 1.418 6.689 331 HB VAL 46 HB VAL 46 -3.796 0.698 5.961 332 HG11 VAL 46 HG11 VAL 46 -4.890 1.394 3.928 333 HG12 VAL 46 HG12 VAL 46 -3.506 2.463 3.607 334 HG13 VAL 46 HG13 VAL 46 -4.505 2.712 5.041 335 HG21 VAL 46 HG21 VAL 46 -3.559 -0.554 3.879 336 HG22 VAL 46 HG22 VAL 46 -2.127 -0.703 4.898 337 HG23 VAL 46 HG23 VAL 46 -2.107 0.366 3.495 338 H VAL 47 HN VAL 47 -1.106 4.010 4.729 339 HA VAL 47 HA VAL 47 0.882 2.745 3.001 340 HB VAL 47 HB VAL 47 0.860 5.665 3.851 341 HG11 VAL 47 HG11 VAL 47 2.111 6.018 1.776 342 HG12 VAL 47 HG12 VAL 47 2.079 4.283 1.468 343 HG13 VAL 47 HG13 VAL 47 2.946 4.915 2.868 344 HG21 VAL 47 HG21 VAL 47 -0.301 6.152 1.770 345 HG22 VAL 47 HG22 VAL 47 -1.268 5.120 2.825 346 HG23 VAL 47 HG23 VAL 47 -0.429 4.427 1.436 347 H VAL 48 HN VAL 48 0.959 4.731 5.920 348 HA VAL 48 HA VAL 48 3.732 4.447 6.381 349 HB VAL 48 HB VAL 48 1.527 4.945 8.418 350 HG11 VAL 48 HG11 VAL 48 3.631 4.320 9.458 351 HG12 VAL 48 HG12 VAL 48 3.274 6.024 9.753 352 HG13 VAL 48 HG13 VAL 48 4.473 5.571 8.543 353 HG21 VAL 48 HG21 VAL 48 2.010 7.335 8.111 354 HG22 VAL 48 HG22 VAL 48 1.425 6.593 6.623 355 HG23 VAL 48 HG23 VAL 48 3.145 6.936 6.821 356 H ALA 49 HN ALA 49 0.899 2.554 7.159 357 HA ALA 49 HA ALA 49 2.068 0.968 9.071 358 HB1 ALA 49 HB1 ALA 49 -0.349 0.450 7.361 359 HB2 ALA 49 HB2 ALA 49 -0.324 1.219 8.949 360 HB3 ALA 49 HB3 ALA 49 0.095 -0.488 8.786 361 H ALA 50 HN ALA 50 1.661 0.836 5.633 362 HA ALA 50 HA ALA 50 2.581 -1.741 5.122 363 HB1 ALA 50 HB1 ALA 50 1.348 -0.425 3.416 364 HB2 ALA 50 HB2 ALA 50 2.912 -0.913 2.787 365 HB3 ALA 50 HB3 ALA 50 2.656 0.735 3.338 366 H GLU 51 HN GLU 51 4.256 1.405 4.929 367 HA GLU 51 HA GLU 51 6.660 0.158 4.311 368 HB2 GLU 51 HB2 GLU 51 7.765 2.343 4.729 369 HB3 GLU 51 HB1 GLU 51 6.505 2.325 3.535 370 HG2 GLU 51 HG2 GLU 51 5.905 4.110 4.454 371 HG3 GLU 51 HG1 GLU 51 5.067 3.131 5.658 372 H GLU 52 HN GLU 52 5.490 1.138 7.432 373 HA GLU 52 HA GLU 52 7.778 0.608 8.904 374 HB2 GLU 52 HB2 GLU 52 4.878 0.325 9.509 375 HB3 GLU 52 HB1 GLU 52 6.105 -0.005 10.750 376 HG2 GLU 52 HG2 GLU 52 6.900 2.334 10.300 377 HG3 GLU 52 HG1 GLU 52 5.449 2.531 9.310 378 H ARG 53 HN ARG 53 5.315 -1.596 7.722 379 HA ARG 53 HA ARG 53 6.384 -3.871 9.121 380 HB2 ARG 53 HB2 ARG 53 3.983 -3.659 8.632 381 HB3 ARG 53 HB1 ARG 53 4.326 -3.694 6.914 382 HG2 ARG 53 HG2 ARG 53 5.165 -6.009 7.153 383 HG3 ARG 53 HG1 ARG 53 4.739 -5.960 8.869 384 HD2 ARG 53 HD2 ARG 53 2.388 -5.543 8.263 385 HD3 ARG 53 HD1 ARG 53 2.835 -5.565 6.571 386 HE ARG 53 HE ARG 53 3.535 -7.965 7.063 387 HH11 ARG 53 HH11 ARG 53 1.063 -6.373 8.986 388 HH12 ARG 53 HH12 ARG 53 -0.056 -7.661 8.958 389 HH21 ARG 53 HH21 ARG 53 1.921 -9.830 6.955 390 HH22 ARG 53 HH22 ARG 53 0.442 -9.649 7.773 391 H PHE 54 HN PHE 54 6.878 -2.387 6.008 392 HA PHE 54 HA PHE 54 8.141 -4.871 5.081 393 HB2 PHE 54 HB2 PHE 54 7.472 -2.520 3.309 394 HB3 PHE 54 HB1 PHE 54 7.895 -4.171 2.841 395 HD1 PHE 54 HD2 PHE 54 6.303 -5.704 4.740 396 HD2 PHE 54 HD1 PHE 54 5.358 -2.265 2.469 397 HE1 PHE 54 HE2 PHE 54 3.974 -6.262 4.905 398 HE2 PHE 54 HE1 PHE 54 2.994 -2.817 2.618 399 HZ PHE 54 HZ PHE 54 2.284 -4.824 3.834 400 H ASP 55 HN ASP 55 9.006 -2.239 6.521 401 HA ASP 55 HA ASP 55 11.084 -1.486 7.198 402 HB2 ASP 55 HB2 ASP 55 12.071 -3.737 6.573 403 HB3 ASP 55 HB1 ASP 55 12.355 -3.091 4.956 404 H VAL 56 HN VAL 56 9.603 -0.759 4.341 405 HA VAL 56 HA VAL 56 11.746 0.885 3.334 406 HB VAL 56 HB VAL 56 10.141 -0.356 1.826 407 HG11 VAL 56 HG11 VAL 56 8.165 1.659 2.744 408 HG12 VAL 56 HG12 VAL 56 8.134 -0.079 3.025 409 HG13 VAL 56 HG13 VAL 56 7.964 0.556 1.385 410 HG21 VAL 56 HG21 VAL 56 11.430 1.484 0.951 411 HG22 VAL 56 HG22 VAL 56 10.120 2.611 1.385 412 HG23 VAL 56 HG23 VAL 56 9.851 1.313 0.199 413 H LYS 57 HN LYS 57 11.043 3.305 2.830 414 HA LYS 57 HA LYS 57 9.387 4.307 5.025 415 HB2 LYS 57 HB2 LYS 57 11.966 4.737 5.245 416 HB3 LYS 57 HB1 LYS 57 11.712 5.848 3.898 417 HG2 LYS 57 HG2 LYS 57 11.649 7.079 5.979 418 HG3 LYS 57 HG1 LYS 57 10.047 7.074 5.224 419 HD2 LYS 57 HD2 LYS 57 9.499 5.087 6.672 420 HD3 LYS 57 HD1 LYS 57 11.000 5.393 7.537 421 HE2 LYS 57 HE2 LYS 57 8.698 7.319 7.255 422 HE3 LYS 57 HE1 LYS 57 9.020 6.321 8.665 423 HZ1 LYS 57 HZ1 LYS 57 9.858 8.485 9.087 424 HZ2 LYS 57 HZ2 LYS 57 10.701 8.558 7.636 425 HZ3 LYS 57 HZ3 LYS 57 11.194 7.491 8.845 426 H ILE 58 HN ILE 58 7.786 5.558 4.283 427 HA ILE 58 HA ILE 58 7.995 6.364 1.467 428 HB ILE 58 HB ILE 58 5.456 5.479 2.880 429 HG12 ILE 58 HG12 ILE 58 7.056 4.113 0.695 430 HG13 ILE 58 HG11 ILE 58 7.045 3.635 2.385 431 HG21 ILE 58 HG21 ILE 58 5.948 6.254 -0.007 432 HG22 ILE 58 HG22 ILE 58 5.047 7.198 1.175 433 HG23 ILE 58 HG23 ILE 58 4.432 5.632 0.645 434 HD11 ILE 58 HD11 ILE 58 4.677 3.089 2.215 435 HD12 ILE 58 HD12 ILE 58 5.646 2.197 1.040 436 HD13 ILE 58 HD13 ILE 58 4.684 3.584 0.520 437 HA PRO 59 HA PRO 59 7.439 10.451 3.367 438 HB2 PRO 59 HB2 PRO 59 7.741 11.791 1.057 439 HB3 PRO 59 HB1 PRO 59 9.140 11.150 1.946 440 HG2 PRO 59 HG2 PRO 59 7.626 9.977 -0.354 441 HG3 PRO 59 HG1 PRO 59 9.397 10.166 -0.189 442 HD2 PRO 59 HD2 PRO 59 8.233 7.827 0.294 443 HD3 PRO 59 HD1 PRO 59 9.522 8.418 1.368 444 H ASP 60 HN ASP 60 5.871 12.117 3.082 445 HA ASP 60 HA ASP 60 3.267 11.304 2.606 446 HB2 ASP 60 HB2 ASP 60 3.693 13.222 3.962 447 HB3 ASP 60 HB1 ASP 60 4.471 14.065 2.630 448 H ASP 61 HN ASP 61 5.465 12.976 0.448 449 HA ASP 61 HA ASP 61 3.591 13.451 -1.625 450 HB2 ASP 61 HB2 ASP 61 5.798 14.616 -1.332 451 HB3 ASP 61 HB1 ASP 61 6.578 13.163 -1.938 452 H ASP 62 HN ASP 62 5.641 10.720 -0.864 453 HA ASP 62 HA ASP 62 4.886 9.456 -3.354 454 HB2 ASP 62 HB2 ASP 62 6.808 8.599 -1.230 455 HB3 ASP 62 HB1 ASP 62 6.157 7.411 -2.344 456 H VAL 63 HN VAL 63 3.944 9.383 -0.075 457 HA VAL 63 HA VAL 63 2.314 7.121 0.023 458 HB VAL 63 HB VAL 63 1.815 9.941 1.103 459 HG11 VAL 63 HG11 VAL 63 0.315 7.425 1.800 460 HG12 VAL 63 HG12 VAL 63 -0.326 8.816 0.928 461 HG13 VAL 63 HG13 VAL 63 0.150 8.981 2.619 462 HG21 VAL 63 HG21 VAL 63 2.469 8.999 3.266 463 HG22 VAL 63 HG22 VAL 63 3.754 8.840 2.067 464 HG23 VAL 63 HG23 VAL 63 2.766 7.442 2.491 465 H LYS 64 HN LYS 64 1.628 10.331 -1.167 466 HA LYS 64 HA LYS 64 -0.947 9.607 -2.252 467 HB2 LYS 64 HB2 LYS 64 -0.974 11.968 -3.057 468 HB3 LYS 64 HB1 LYS 64 -0.687 11.808 -1.328 469 HG2 LYS 64 HG2 LYS 64 1.763 12.026 -1.825 470 HG3 LYS 64 HG1 LYS 64 1.310 12.441 -3.472 471 HD2 LYS 64 HD2 LYS 64 0.420 13.913 -1.005 472 HD3 LYS 64 HD1 LYS 64 1.764 14.384 -2.035 473 HE2 LYS 64 HE2 LYS 64 -1.085 14.087 -3.005 474 HE3 LYS 64 HE1 LYS 64 -0.377 15.617 -2.491 475 HZ1 LYS 64 HZ1 LYS 64 1.259 15.415 -4.216 476 HZ2 LYS 64 HZ2 LYS 64 -0.297 15.358 -4.883 477 HZ3 LYS 64 HZ3 LYS 64 0.632 13.947 -4.757 478 H ASN 65 HN ASN 65 2.087 9.015 -3.305 479 HA ASN 65 HA ASN 65 1.681 9.476 -6.161 480 HB2 ASN 65 HB2 ASN 65 3.961 9.736 -5.039 481 HB3 ASN 65 HB1 ASN 65 3.928 8.016 -4.755 482 HD21 ASN 65 HD21 ASN 65 4.424 10.466 -7.089 483 HD22 ASN 65 HD22 ASN 65 4.921 9.449 -8.388 484 H LEU 66 HN LEU 66 1.536 7.031 -3.716 485 HA LEU 66 HA LEU 66 1.399 4.825 -5.522 486 HB2 LEU 66 HB2 LEU 66 0.719 4.908 -2.582 487 HB3 LEU 66 HB1 LEU 66 1.097 3.499 -3.543 488 HG LEU 66 HG LEU 66 2.987 5.628 -2.571 489 HD11 LEU 66 HD11 LEU 66 2.394 3.964 -0.939 490 HD12 LEU 66 HD12 LEU 66 4.081 3.782 -1.442 491 HD13 LEU 66 HD13 LEU 66 2.865 2.669 -2.045 492 HD21 LEU 66 HD21 LEU 66 3.570 3.338 -4.454 493 HD22 LEU 66 HD22 LEU 66 4.774 4.399 -3.722 494 HD23 LEU 66 HD23 LEU 66 3.598 5.052 -4.866 495 H LYS 67 HN LYS 67 -0.392 4.606 -6.592 496 HA LYS 67 HA LYS 67 -2.826 5.259 -5.172 497 HB2 LYS 67 HB2 LYS 67 -4.052 5.300 -7.378 498 HB3 LYS 67 HB1 LYS 67 -2.933 6.614 -7.136 499 HG2 LYS 67 HG2 LYS 67 -2.271 4.171 -8.787 500 HG3 LYS 67 HG1 LYS 67 -3.094 5.572 -9.461 501 HD2 LYS 67 HD2 LYS 67 -0.338 5.617 -8.179 502 HD3 LYS 67 HD1 LYS 67 -0.667 5.576 -9.902 503 HE2 LYS 67 HE2 LYS 67 -1.754 7.744 -9.775 504 HE3 LYS 67 HE1 LYS 67 -1.536 7.783 -8.025 505 HZ1 LYS 67 HZ1 LYS 67 0.165 9.078 -9.060 506 HZ2 LYS 67 HZ2 LYS 67 0.628 7.774 -10.056 507 HZ3 LYS 67 HZ3 LYS 67 0.845 7.691 -8.382 508 H THR 68 HN THR 68 -1.216 2.773 -7.109 509 HA THR 68 HA THR 68 -3.324 0.984 -6.197 510 HB THR 68 HB THR 68 -2.742 -0.528 -7.918 511 HG1 THR 68 HG1 THR 68 -0.676 1.184 -8.839 512 HG21 THR 68 HG21 THR 68 -2.646 2.250 -9.116 513 HG22 THR 68 HG22 THR 68 -4.105 1.337 -8.727 514 HG23 THR 68 HG23 THR 68 -3.023 0.770 -10.000 515 H VAL 69 HN VAL 69 -2.319 -1.310 -5.937 516 HA VAL 69 HA VAL 69 -0.153 -0.969 -4.116 517 HB VAL 69 HB VAL 69 -1.188 -2.553 -2.933 518 HG11 VAL 69 HG11 VAL 69 -3.199 -2.026 -4.022 519 HG12 VAL 69 HG12 VAL 69 -3.160 -3.775 -3.719 520 HG13 VAL 69 HG13 VAL 69 -2.833 -3.136 -5.336 521 HG21 VAL 69 HG21 VAL 69 -1.074 -4.948 -3.537 522 HG22 VAL 69 HG22 VAL 69 0.460 -4.122 -3.827 523 HG23 VAL 69 HG23 VAL 69 -0.606 -4.499 -5.179 524 H GLY 70 HN GLY 70 -0.627 -1.542 -7.269 525 HA2 GLY 70 HA2 GLY 70 1.708 -3.173 -7.787 526 HA3 GLY 70 HA1 GLY 70 0.830 -2.204 -8.981 527 H ASP 71 HN ASP 71 0.829 0.178 -7.672 528 HA ASP 71 HA ASP 71 3.277 1.416 -8.196 529 HB2 ASP 71 HB2 ASP 71 0.750 2.037 -6.773 530 HB3 ASP 71 HB1 ASP 71 2.033 3.180 -6.630 531 H ALA 72 HN ALA 72 1.519 0.888 -5.211 532 HA ALA 72 HA ALA 72 3.289 1.786 -3.283 533 HB1 ALA 72 HB1 ALA 72 2.087 0.435 -1.712 534 HB2 ALA 72 HB2 ALA 72 1.499 -0.601 -2.983 535 HB3 ALA 72 HB3 ALA 72 0.921 1.075 -2.884 536 H THR 73 HN THR 73 2.776 -1.562 -4.156 537 HA THR 73 HA THR 73 4.633 -2.502 -2.496 538 HB THR 73 HB THR 73 3.622 -3.742 -5.034 539 HG1 THR 73 HG1 THR 73 1.920 -3.615 -3.872 540 HG21 THR 73 HG21 THR 73 4.192 -5.857 -3.945 541 HG22 THR 73 HG22 THR 73 4.888 -4.905 -2.609 542 HG23 THR 73 HG23 THR 73 5.618 -4.826 -4.212 543 H LYS 74 HN LYS 74 4.919 -1.583 -5.878 544 HA LYS 74 HA LYS 74 7.466 -2.530 -6.446 545 HB2 LYS 74 HB2 LYS 74 6.050 -1.931 -8.263 546 HB3 LYS 74 HB1 LYS 74 5.629 -0.457 -7.441 547 HG2 LYS 74 HG2 LYS 74 8.445 -0.610 -8.249 548 HG3 LYS 74 HG1 LYS 74 7.286 -0.598 -9.584 549 HD2 LYS 74 HD2 LYS 74 6.299 1.407 -8.822 550 HD3 LYS 74 HD1 LYS 74 7.193 1.372 -7.305 551 HE2 LYS 74 HE2 LYS 74 9.285 1.661 -8.608 552 HE3 LYS 74 HE1 LYS 74 8.325 1.729 -10.089 553 HZ1 LYS 74 HZ1 LYS 74 8.063 3.598 -7.820 554 HZ2 LYS 74 HZ2 LYS 74 7.255 3.720 -9.285 555 HZ3 LYS 74 HZ3 LYS 74 8.931 3.941 -9.216 556 H TYR 75 HN TYR 75 6.209 0.573 -5.378 557 HA TYR 75 HA TYR 75 8.552 2.024 -5.167 558 HB2 TYR 75 HB2 TYR 75 6.201 2.874 -4.935 559 HB3 TYR 75 HB1 TYR 75 6.171 2.124 -3.373 560 HD1 TYR 75 HD1 TYR 75 8.130 4.644 -5.243 561 HD2 TYR 75 HD2 TYR 75 6.920 3.150 -1.471 562 HE1 TYR 75 HE1 TYR 75 9.073 6.596 -4.206 563 HE2 TYR 75 HE2 TYR 75 7.870 5.108 -0.379 564 HH TYR 75 HH TYR 75 9.566 6.790 -0.819 565 H ILE 76 HN ILE 76 6.829 0.192 -2.794 566 HA ILE 76 HA ILE 76 8.406 0.560 -0.581 567 HB ILE 76 HB ILE 76 6.623 -1.706 -1.454 568 HG12 ILE 76 HG12 ILE 76 6.210 0.353 0.685 569 HG13 ILE 76 HG11 ILE 76 5.808 0.650 -1.001 570 HG21 ILE 76 HG21 ILE 76 6.630 -2.475 0.866 571 HG22 ILE 76 HG22 ILE 76 7.876 -1.283 1.253 572 HG23 ILE 76 HG23 ILE 76 8.232 -2.601 0.135 573 HD11 ILE 76 HD11 ILE 76 3.855 -0.058 0.268 574 HD12 ILE 76 HD12 ILE 76 4.702 -1.564 0.704 575 HD13 ILE 76 HD13 ILE 76 4.317 -1.218 -0.983 576 H LEU 77 HN LEU 77 8.411 -2.437 -2.635 577 HA LEU 77 HA LEU 77 10.564 -3.608 -1.551 578 HB2 LEU 77 HB2 LEU 77 8.935 -4.654 -2.939 579 HB3 LEU 77 HB1 LEU 77 9.378 -3.643 -4.290 580 HG LEU 77 HG LEU 77 11.510 -4.671 -4.344 581 HD11 LEU 77 HD11 LEU 77 11.860 -6.816 -3.121 582 HD12 LEU 77 HD12 LEU 77 10.427 -6.373 -2.141 583 HD13 LEU 77 HD13 LEU 77 11.859 -5.362 -2.127 584 HD21 LEU 77 HD21 LEU 77 10.752 -6.792 -5.328 585 HD22 LEU 77 HD22 LEU 77 9.715 -5.414 -5.752 586 HD23 LEU 77 HD23 LEU 77 9.190 -6.559 -4.528 587 H ASP 78 HN ASP 78 10.344 -1.250 -4.116 588 HA ASP 78 HA ASP 78 12.967 -1.574 -5.150 589 HB2 ASP 78 HB2 ASP 78 11.472 -0.756 -6.666 590 HB3 ASP 78 HB1 ASP 78 10.722 0.390 -5.594 591 H HIS 79 HN HIS 79 11.590 0.290 -2.625 592 HA HIS 79 HA HIS 79 14.119 1.702 -2.302 593 HB2 HIS 79 HB2 HIS 79 11.369 2.309 -1.319 594 HB3 HIS 79 HB1 HIS 79 12.767 3.030 -0.547 595 HD1 HIS 79 HD1 HIS 79 13.664 5.123 -1.633 596 HD2 HIS 79 HD2 HIS 79 11.121 2.996 -4.131 597 HE1 HIS 79 HE1 HIS 79 13.291 6.589 -3.616 598 HE2 HIS 79 HE2 HIS 79 12.255 5.014 -5.237 599 H GLN 80 HN GLN 80 12.431 -0.950 -0.887 600 HA GLN 80 HA GLN 80 13.414 -0.815 1.807 601 HB2 GLN 80 HB2 GLN 80 13.219 -3.307 0.248 602 HB3 GLN 80 HB1 GLN 80 13.089 -3.114 1.975 603 HG2 GLN 80 HG2 GLN 80 10.950 -2.100 1.716 604 HG3 GLN 80 HG1 GLN 80 11.063 -2.258 -0.042 605 HE21 GLN 80 HE21 GLN 80 9.132 -3.351 1.532 606 HE22 GLN 80 HE22 GLN 80 9.206 -5.094 1.508 607 H ALA 81 HN ALA 81 14.243 -2.565 -0.818 608 HA ALA 81 HA ALA 81 16.967 -2.885 0.119 609 HB1 ALA 81 HB1 ALA 81 15.491 -4.488 -1.972 610 HB2 ALA 81 HB2 ALA 81 15.784 -4.961 -0.298 611 HB3 ALA 81 HB3 ALA 81 17.140 -4.807 -1.419 612 H1 SYO 101 H1A SYO 101 -3.247 6.392 1.180 613 H1A SYO 101 H1B SYO 101 -2.083 7.722 1.184 614 H2 SYO 101 H2A SYO 101 -1.332 6.568 -0.617 615 H2A SYO 101 H2B SYO 101 -2.599 7.465 -1.467 616 H4 SYO 101 H4A SYO 101 -1.150 4.531 -0.965 617 H4A SYO 101 H4B SYO 101 -2.143 3.911 -2.286 618 H5 SYO 101 H5A SYO 101 -2.945 2.280 -1.012 619 H5A SYO 101 H5B SYO 101 -3.397 3.412 0.257 620 H6 SYO 101 H6A SYO 101 -1.863 1.744 1.116 621 H6A SYO 101 H6B SYO 101 -1.129 3.341 1.157 622 H7 SYO 101 H7A SYO 101 0.142 2.799 -0.916 623 H7A SYO 101 H7B SYO 101 -0.583 1.187 -0.881 624 H8 SYO 101 H8C SYO 101 1.650 1.212 0.115 625 H8A SYO 101 H8A SYO 101 0.416 0.790 1.303 626 H8B SYO 101 H8B SYO 101 1.110 2.412 1.290 627 H28 SYO 101 H28A SYO 101 -7.348 11.454 -1.836 628 H28A SYO 101 H28B SYO 101 -7.519 9.759 -2.251 629 H30 SYO 101 H30A SYO 101 -8.851 12.411 -5.240 630 H30A SYO 101 H30B SYO 101 -8.481 13.025 -3.610 631 H30B SYO 101 H30C SYO 101 -9.783 11.855 -3.839 632 H31 SYO 101 H31A SYO 101 -6.175 12.348 -3.824 633 H31A SYO 101 H31B SYO 101 -6.423 11.628 -5.420 634 H31B SYO 101 H31C SYO 101 -5.768 10.654 -4.099 635 H32 SYO 101 H32A SYO 101 -9.112 9.251 -4.213 636 HO33 SYO 101 H33A SYO 101 -8.380 9.413 -6.635 637 HN36 SYO 101 H36A SYO 101 -7.018 8.788 -3.033 638 H37 SYO 101 H37A SYO 101 -5.520 7.068 -2.636 639 H37A SYO 101 H37B SYO 101 -5.857 6.432 -4.249 640 H38 SYO 101 H38A SYO 101 -3.489 7.110 -3.836 641 H38A SYO 101 H38B SYO 101 -4.210 7.958 -5.209 642 HN41 SYO 101 H41A SYO 101 -4.322 8.400 -1.745 643 H42 SYO 101 H42A SYO 101 -2.874 10.929 -1.812 644 H42A SYO 101 H42B SYO 101 -4.558 10.938 -1.353 645 H43 SYO 101 H43A SYO 101 -3.509 10.763 0.716 646 H43A SYO 101 H43B SYO 101 -2.315 9.694 0.040 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 13.260 -6.227 5.641 2 H2 ALA 1 HT2 ALA 1 14.328 -4.947 5.517 3 H3 ALA 1 HT3 ALA 1 14.885 -6.566 5.316 4 HA ALA 1 HA ALA 1 12.993 -5.121 3.538 5 HB1 ALA 1 HB1 ALA 1 15.353 -4.428 3.263 6 HB2 ALA 1 HB2 ALA 1 14.740 -5.310 1.862 7 HB3 ALA 1 HB3 ALA 1 15.799 -6.116 3.018 8 H ALA 2 HN ALA 2 12.455 -6.280 1.653 9 HA ALA 2 HA ALA 2 12.650 -9.097 1.553 10 HB1 ALA 2 HB1 ALA 2 10.049 -7.818 2.431 11 HB2 ALA 2 HB2 ALA 2 11.041 -8.915 3.393 12 HB3 ALA 2 HB3 ALA 2 10.236 -9.501 1.936 13 H THR 3 HN THR 3 10.138 -9.274 0.142 14 HA THR 3 HA THR 3 10.493 -7.336 -2.043 15 HB THR 3 HB THR 3 11.700 -9.463 -2.616 16 HG1 THR 3 HG1 THR 3 11.057 -8.480 -4.447 17 HG21 THR 3 HG21 THR 3 10.291 -11.025 -1.422 18 HG22 THR 3 HG22 THR 3 10.332 -11.484 -3.131 19 HG23 THR 3 HG23 THR 3 8.929 -10.642 -2.457 20 H GLN 4 HN GLN 4 8.676 -8.134 -3.691 21 HA GLN 4 HA GLN 4 6.310 -7.003 -2.839 22 HB2 GLN 4 HB2 GLN 4 6.598 -7.124 -5.169 23 HB3 GLN 4 HB1 GLN 4 6.817 -8.865 -5.148 24 HG2 GLN 4 HG2 GLN 4 4.197 -7.739 -4.281 25 HG3 GLN 4 HG1 GLN 4 4.557 -7.759 -5.997 26 HE21 GLN 4 HE21 GLN 4 2.541 -9.312 -4.315 27 HE22 GLN 4 HE22 GLN 4 2.897 -10.954 -4.671 28 H GLU 5 HN GLU 5 7.075 -10.420 -2.765 29 HA GLU 5 HA GLU 5 4.512 -11.338 -2.160 30 HB2 GLU 5 HB2 GLU 5 7.167 -12.570 -1.458 31 HB3 GLU 5 HB1 GLU 5 5.611 -13.397 -1.406 32 HG2 GLU 5 HG2 GLU 5 5.351 -12.941 -3.818 33 HG3 GLU 5 HG1 GLU 5 6.974 -12.263 -3.825 34 H GLU 6 HN GLU 6 6.876 -9.896 -0.141 35 HA GLU 6 HA GLU 6 5.554 -10.637 2.338 36 HB2 GLU 6 HB2 GLU 6 8.041 -10.329 2.093 37 HB3 GLU 6 HB1 GLU 6 7.728 -8.649 1.738 38 HG2 GLU 6 HG2 GLU 6 8.436 -8.901 4.012 39 HG3 GLU 6 HG1 GLU 6 6.771 -8.319 3.892 40 H ILE 7 HN ILE 7 5.611 -8.089 -0.014 41 HA ILE 7 HA ILE 7 4.650 -6.061 1.766 42 HB ILE 7 HB ILE 7 5.130 -6.140 -1.206 43 HG12 ILE 7 HG12 ILE 7 6.690 -4.826 1.014 44 HG13 ILE 7 HG11 ILE 7 7.077 -6.400 0.326 45 HG21 ILE 7 HG21 ILE 7 4.479 -3.793 0.587 46 HG22 ILE 7 HG22 ILE 7 3.424 -4.473 -0.651 47 HG23 ILE 7 HG23 ILE 7 4.937 -3.693 -1.116 48 HD11 ILE 7 HD11 ILE 7 8.447 -4.589 -0.551 49 HD12 ILE 7 HD12 ILE 7 6.985 -3.823 -1.194 50 HD13 ILE 7 HD13 ILE 7 7.496 -5.401 -1.804 51 H VAL 8 HN VAL 8 3.386 -7.313 -1.300 52 HA VAL 8 HA VAL 8 0.819 -6.269 -1.007 53 HB VAL 8 HB VAL 8 1.691 -8.740 -2.510 54 HG11 VAL 8 HG11 VAL 8 -0.759 -8.674 -2.268 55 HG12 VAL 8 HG12 VAL 8 -0.292 -8.356 -3.938 56 HG13 VAL 8 HG13 VAL 8 -0.782 -7.024 -2.891 57 HG21 VAL 8 HG21 VAL 8 2.936 -6.791 -3.144 58 HG22 VAL 8 HG22 VAL 8 1.454 -5.877 -3.366 59 HG23 VAL 8 HG23 VAL 8 1.823 -7.230 -4.441 60 H ALA 9 HN ALA 9 1.909 -9.487 -0.109 61 HA ALA 9 HA ALA 9 -0.479 -10.451 0.803 62 HB1 ALA 9 HB1 ALA 9 2.243 -10.982 1.976 63 HB2 ALA 9 HB2 ALA 9 1.527 -11.807 0.591 64 HB3 ALA 9 HB3 ALA 9 0.809 -11.986 2.193 65 H GLY 10 HN GLY 10 1.845 -8.326 2.447 66 HA2 GLY 10 HA2 GLY 10 0.462 -8.522 4.919 67 HA3 GLY 10 HA1 GLY 10 1.937 -7.615 4.629 68 H LEU 11 HN LEU 11 0.821 -6.305 2.296 69 HA LEU 11 HA LEU 11 -0.252 -4.035 3.573 70 HB2 LEU 11 HB2 LEU 11 1.021 -4.589 1.213 71 HB3 LEU 11 HB1 LEU 11 -0.616 -4.320 0.678 72 HG LEU 11 HG LEU 11 1.096 -2.326 2.203 73 HD11 LEU 11 HD11 LEU 11 1.073 -1.083 0.127 74 HD12 LEU 11 HD12 LEU 11 0.189 -2.392 -0.656 75 HD13 LEU 11 HD13 LEU 11 1.829 -2.664 -0.070 76 HD21 LEU 11 HD21 LEU 11 -0.716 -0.753 1.781 77 HD22 LEU 11 HD22 LEU 11 -1.270 -2.107 2.767 78 HD23 LEU 11 HD23 LEU 11 -1.675 -2.040 1.053 79 H ALA 12 HN ALA 12 -1.503 -6.712 1.709 80 HA ALA 12 HA ALA 12 -4.179 -6.020 1.440 81 HB1 ALA 12 HB1 ALA 12 -3.224 -8.052 0.492 82 HB2 ALA 12 HB2 ALA 12 -4.614 -8.411 1.530 83 HB3 ALA 12 HB3 ALA 12 -2.982 -8.695 2.120 84 H GLU 13 HN GLU 13 -2.442 -7.523 4.114 85 HA GLU 13 HA GLU 13 -4.607 -7.836 5.846 86 HB2 GLU 13 HB2 GLU 13 -1.694 -7.533 6.468 87 HB3 GLU 13 HB1 GLU 13 -2.924 -8.075 7.603 88 HG2 GLU 13 HG2 GLU 13 -3.376 -9.993 6.260 89 HG3 GLU 13 HG1 GLU 13 -2.239 -9.438 5.027 90 H ILE 14 HN ILE 14 -2.289 -5.270 5.539 91 HA ILE 14 HA ILE 14 -3.184 -3.631 7.654 92 HB ILE 14 HB ILE 14 -2.107 -2.763 4.950 93 HG12 ILE 14 HG12 ILE 14 -0.618 -3.117 7.531 94 HG13 ILE 14 HG11 ILE 14 -0.792 -4.414 6.362 95 HG21 ILE 14 HG21 ILE 14 -1.408 -0.737 6.131 96 HG22 ILE 14 HG22 ILE 14 -2.182 -1.323 7.605 97 HG23 ILE 14 HG23 ILE 14 -3.161 -0.927 6.192 98 HD11 ILE 14 HD11 ILE 14 1.301 -3.309 6.135 99 HD12 ILE 14 HD12 ILE 14 0.476 -1.756 5.873 100 HD13 ILE 14 HD13 ILE 14 0.289 -3.081 4.712 101 H VAL 15 HN VAL 15 -4.340 -4.007 4.379 102 HA VAL 15 HA VAL 15 -6.198 -1.872 4.474 103 HB VAL 15 HB VAL 15 -5.996 -4.192 2.510 104 HG11 VAL 15 HG11 VAL 15 -8.230 -3.214 2.503 105 HG12 VAL 15 HG12 VAL 15 -7.346 -2.835 1.025 106 HG13 VAL 15 HG13 VAL 15 -7.525 -1.613 2.287 107 HG21 VAL 15 HG21 VAL 15 -4.992 -2.546 1.051 108 HG22 VAL 15 HG22 VAL 15 -4.065 -2.780 2.543 109 HG23 VAL 15 HG23 VAL 15 -5.093 -1.352 2.352 110 H ASN 16 HN ASN 16 -6.159 -5.036 5.516 111 HA ASN 16 HA ASN 16 -9.061 -5.450 5.663 112 HB2 ASN 16 HB2 ASN 16 -7.072 -7.048 7.329 113 HB3 ASN 16 HB1 ASN 16 -8.664 -7.492 6.769 114 HD21 ASN 16 HD21 ASN 16 -8.305 -6.824 4.083 115 HD22 ASN 16 HD22 ASN 16 -7.064 -7.901 3.483 116 H GLU 17 HN GLU 17 -6.369 -4.894 7.853 117 HA GLU 17 HA GLU 17 -7.899 -4.734 10.194 118 HB2 GLU 17 HB2 GLU 17 -5.077 -3.817 9.626 119 HB3 GLU 17 HB1 GLU 17 -5.788 -3.965 11.231 120 HG2 GLU 17 HG2 GLU 17 -6.125 -6.379 10.844 121 HG3 GLU 17 HG1 GLU 17 -5.364 -6.217 9.266 122 H ILE 18 HN ILE 18 -6.392 -2.171 8.234 123 HA ILE 18 HA ILE 18 -7.370 -0.004 9.829 124 HB ILE 18 HB ILE 18 -6.493 -0.063 6.929 125 HG12 ILE 18 HG12 ILE 18 -4.872 -0.820 8.714 126 HG13 ILE 18 HG11 ILE 18 -4.277 0.404 7.618 127 HG21 ILE 18 HG21 ILE 18 -7.796 1.929 7.386 128 HG22 ILE 18 HG22 ILE 18 -6.099 2.352 7.166 129 HG23 ILE 18 HG23 ILE 18 -6.790 2.295 8.788 130 HD11 ILE 18 HD11 ILE 18 -3.570 0.825 9.898 131 HD12 ILE 18 HD12 ILE 18 -5.235 0.701 10.480 132 HD13 ILE 18 HD13 ILE 18 -4.752 2.059 9.456 133 H ALA 19 HN ALA 19 -8.361 -1.353 6.680 134 HA ALA 19 HA ALA 19 -10.760 0.290 6.821 135 HB1 ALA 19 HB1 ALA 19 -9.609 -1.175 4.445 136 HB2 ALA 19 HB2 ALA 19 -9.381 0.537 4.804 137 HB3 ALA 19 HB3 ALA 19 -10.990 -0.082 4.426 138 H GLY 20 HN GLY 20 -10.503 -2.645 4.995 139 HA2 GLY 20 HA2 GLY 20 -11.615 -4.527 6.651 140 HA3 GLY 20 HA1 GLY 20 -12.996 -3.600 6.090 141 H ILE 21 HN ILE 21 -10.111 -4.400 4.286 142 HA ILE 21 HA ILE 21 -11.736 -5.633 2.248 143 HB ILE 21 HB ILE 21 -9.010 -4.617 2.461 144 HG12 ILE 21 HG12 ILE 21 -9.359 -3.999 0.068 145 HG13 ILE 21 HG11 ILE 21 -10.904 -4.839 0.129 146 HG21 ILE 21 HG21 ILE 21 -8.208 -6.808 2.069 147 HG22 ILE 21 HG22 ILE 21 -7.988 -5.880 0.598 148 HG23 ILE 21 HG23 ILE 21 -9.305 -7.045 0.717 149 HD11 ILE 21 HD11 ILE 21 -10.131 -2.432 1.768 150 HD12 ILE 21 HD12 ILE 21 -11.687 -3.261 1.825 151 HD13 ILE 21 HD13 ILE 21 -11.181 -2.434 0.352 152 HA PRO 22 HA PRO 22 -11.111 -9.789 3.693 153 HB2 PRO 22 HB2 PRO 22 -11.419 -10.730 1.013 154 HB3 PRO 22 HB1 PRO 22 -12.612 -10.758 2.364 155 HG2 PRO 22 HG2 PRO 22 -12.851 -9.270 0.096 156 HG3 PRO 22 HG1 PRO 22 -13.537 -8.752 1.659 157 HD2 PRO 22 HD2 PRO 22 -10.997 -7.968 0.285 158 HD3 PRO 22 HD1 PRO 22 -12.192 -6.953 1.125 159 H VAL 23 HN VAL 23 -8.637 -8.529 2.676 160 HA VAL 23 HA VAL 23 -6.453 -8.918 2.098 161 HB VAL 23 HB VAL 23 -6.768 -10.412 4.118 162 HG11 VAL 23 HG11 VAL 23 -7.965 -12.261 3.215 163 HG12 VAL 23 HG12 VAL 23 -6.425 -12.829 3.869 164 HG13 VAL 23 HG13 VAL 23 -6.634 -12.649 2.126 165 HG21 VAL 23 HG21 VAL 23 -4.494 -11.057 2.263 166 HG22 VAL 23 HG22 VAL 23 -4.526 -11.415 3.989 167 HG23 VAL 23 HG23 VAL 23 -4.565 -9.742 3.436 168 H GLU 24 HN GLU 24 -8.606 -10.733 0.382 169 HA GLU 24 HA GLU 24 -6.613 -11.836 -1.411 170 HB2 GLU 24 HB2 GLU 24 -9.563 -12.059 -1.148 171 HB3 GLU 24 HB1 GLU 24 -8.678 -12.812 -2.481 172 HG2 GLU 24 HG2 GLU 24 -8.178 -13.320 0.446 173 HG3 GLU 24 HG1 GLU 24 -9.150 -14.357 -0.603 174 H ASP 25 HN ASP 25 -8.647 -9.103 -1.251 175 HA ASP 25 HA ASP 25 -8.926 -8.804 -4.105 176 HB2 ASP 25 HB2 ASP 25 -9.661 -6.990 -1.820 177 HB3 ASP 25 HB1 ASP 25 -9.764 -6.454 -3.491 178 H VAL 26 HN VAL 26 -6.810 -7.761 -1.700 179 HA VAL 26 HA VAL 26 -5.610 -5.589 -3.177 180 HB VAL 26 HB VAL 26 -4.417 -7.102 -0.828 181 HG11 VAL 26 HG11 VAL 26 -3.206 -5.026 -0.390 182 HG12 VAL 26 HG12 VAL 26 -3.874 -4.321 -1.865 183 HG13 VAL 26 HG13 VAL 26 -2.778 -5.700 -1.967 184 HG21 VAL 26 HG21 VAL 26 -5.369 -5.353 0.590 185 HG22 VAL 26 HG22 VAL 26 -6.619 -6.279 -0.242 186 HG23 VAL 26 HG23 VAL 26 -6.183 -4.671 -0.816 187 H LYS 27 HN LYS 27 -4.865 -6.246 -5.143 188 HA LYS 27 HA LYS 27 -2.597 -8.103 -5.193 189 HB2 LYS 27 HB2 LYS 27 -5.075 -8.753 -6.222 190 HB3 LYS 27 HB1 LYS 27 -4.352 -7.814 -7.523 191 HG2 LYS 27 HG2 LYS 27 -3.942 -10.103 -7.979 192 HG3 LYS 27 HG1 LYS 27 -2.414 -9.342 -7.523 193 HD2 LYS 27 HD2 LYS 27 -2.572 -11.486 -6.426 194 HD3 LYS 27 HD1 LYS 27 -2.737 -10.211 -5.215 195 HE2 LYS 27 HE2 LYS 27 -5.175 -10.478 -5.265 196 HE3 LYS 27 HE1 LYS 27 -5.011 -11.745 -6.481 197 HZ1 LYS 27 HZ1 LYS 27 -5.317 -12.724 -4.366 198 HZ2 LYS 27 HZ2 LYS 27 -4.089 -11.809 -3.664 199 HZ3 LYS 27 HZ3 LYS 27 -3.704 -13.004 -4.810 200 H LEU 28 HN LEU 28 -1.113 -7.308 -6.808 201 HA LEU 28 HA LEU 28 -0.777 -4.564 -7.139 202 HB2 LEU 28 HB2 LEU 28 0.076 -6.661 -9.169 203 HB3 LEU 28 HB1 LEU 28 0.763 -5.065 -8.952 204 HG LEU 28 HG LEU 28 0.957 -7.289 -6.919 205 HD11 LEU 28 HD11 LEU 28 2.959 -6.366 -8.975 206 HD12 LEU 28 HD12 LEU 28 2.097 -7.901 -8.993 207 HD13 LEU 28 HD13 LEU 28 3.255 -7.555 -7.707 208 HD21 LEU 28 HD21 LEU 28 2.533 -4.764 -7.227 209 HD22 LEU 28 HD22 LEU 28 2.624 -5.929 -5.896 210 HD23 LEU 28 HD23 LEU 28 1.167 -4.948 -6.126 211 H ASP 29 HN ASP 29 -1.234 -3.113 -8.864 212 HA ASP 29 HA ASP 29 -2.298 -2.153 -10.571 213 HB2 ASP 29 HB2 ASP 29 -1.652 -4.203 -11.904 214 HB3 ASP 29 HB1 ASP 29 -3.183 -4.932 -11.459 215 H LYS 30 HN LYS 30 -3.448 -3.021 -7.989 216 HA LYS 30 HA LYS 30 -6.247 -2.330 -8.585 217 HB2 LYS 30 HB2 LYS 30 -5.193 -3.735 -6.131 218 HB3 LYS 30 HB1 LYS 30 -6.779 -3.012 -6.444 219 HG2 LYS 30 HG2 LYS 30 -5.837 -5.229 -8.221 220 HG3 LYS 30 HG1 LYS 30 -6.418 -5.546 -6.576 221 HD2 LYS 30 HD2 LYS 30 -8.519 -4.404 -7.080 222 HD3 LYS 30 HD1 LYS 30 -7.966 -4.114 -8.731 223 HE2 LYS 30 HE2 LYS 30 -7.921 -6.464 -9.198 224 HE3 LYS 30 HE1 LYS 30 -8.225 -6.856 -7.508 225 HZ1 LYS 30 HZ1 LYS 30 -10.428 -6.025 -7.677 226 HZ2 LYS 30 HZ2 LYS 30 -10.194 -7.036 -9.010 227 HZ3 LYS 30 HZ3 LYS 30 -10.140 -5.355 -9.202 228 H SER 31 HN SER 31 -6.749 -0.607 -7.903 229 HA SER 31 HA SER 31 -5.077 1.138 -6.270 230 HB2 SER 31 HB2 SER 31 -7.811 1.693 -7.370 231 HB3 SER 31 HB1 SER 31 -6.581 2.893 -6.936 232 HG SER 31 HG SER 31 -6.752 1.159 -9.139 233 H PHE 32 HN PHE 32 -5.282 0.820 -4.185 234 HA PHE 32 HA PHE 32 -7.031 -0.594 -2.681 235 HB2 PHE 32 HB2 PHE 32 -5.688 1.948 -1.825 236 HB3 PHE 32 HB1 PHE 32 -6.340 0.723 -0.762 237 HD1 PHE 32 HD2 PHE 32 -5.152 -1.450 -0.506 238 HD2 PHE 32 HD1 PHE 32 -3.572 1.729 -2.871 239 HE1 PHE 32 HE2 PHE 32 -2.928 -2.523 -0.524 240 HE2 PHE 32 HE1 PHE 32 -1.410 0.643 -2.880 241 HZ PHE 32 HZ PHE 32 -1.064 -1.420 -1.490 242 H THR 33 HN THR 33 -7.294 2.830 -3.363 243 HA THR 33 HA THR 33 -9.843 2.913 -1.922 244 HB THR 33 HB THR 33 -8.068 4.520 -1.330 245 HG1 THR 33 HG1 THR 33 -10.415 5.077 -1.213 246 HG21 THR 33 HG21 THR 33 -7.073 4.779 -3.496 247 HG22 THR 33 HG22 THR 33 -7.550 6.353 -2.855 248 HG23 THR 33 HG23 THR 33 -8.527 5.570 -4.098 249 H ASP 34 HN ASP 34 -9.462 1.875 -4.760 250 HA ASP 34 HA ASP 34 -11.795 3.272 -5.860 251 HB2 ASP 34 HB2 ASP 34 -9.867 4.435 -6.892 252 HB3 ASP 34 HB1 ASP 34 -9.253 2.897 -7.467 253 H ASP 35 HN ASP 35 -9.374 0.878 -6.664 254 HA ASP 35 HA ASP 35 -11.193 -0.901 -7.979 255 HB2 ASP 35 HB2 ASP 35 -8.343 -0.968 -7.170 256 HB3 ASP 35 HB1 ASP 35 -9.051 -2.461 -7.686 257 H LEU 36 HN LEU 36 -9.596 -0.700 -4.904 258 HA LEU 36 HA LEU 36 -10.803 -3.164 -4.066 259 HB2 LEU 36 HB2 LEU 36 -9.192 -1.192 -2.457 260 HB3 LEU 36 HB1 LEU 36 -9.623 -2.783 -1.898 261 HG LEU 36 HG LEU 36 -7.699 -1.999 -4.036 262 HD11 LEU 36 HD11 LEU 36 -6.862 -1.952 -1.785 263 HD12 LEU 36 HD12 LEU 36 -6.134 -3.287 -2.681 264 HD13 LEU 36 HD13 LEU 36 -7.422 -3.602 -1.519 265 HD21 LEU 36 HD21 LEU 36 -8.700 -4.764 -3.423 266 HD22 LEU 36 HD22 LEU 36 -7.347 -4.349 -4.490 267 HD23 LEU 36 HD23 LEU 36 -8.985 -3.827 -4.896 268 H ASP 37 HN ASP 37 -10.752 -0.376 -1.950 269 HA ASP 37 HA ASP 37 -13.344 0.609 -2.049 270 HB2 ASP 37 HB2 ASP 37 -14.028 -1.829 -1.728 271 HB3 ASP 37 HB1 ASP 37 -13.338 -1.745 -0.116 272 H VAL 38 HN VAL 38 -10.526 1.052 -0.954 273 HA VAL 38 HA VAL 38 -10.903 1.349 1.879 274 HB VAL 38 HB VAL 38 -8.589 2.339 0.186 275 HG11 VAL 38 HG11 VAL 38 -8.737 3.458 2.368 276 HG12 VAL 38 HG12 VAL 38 -7.344 2.380 2.301 277 HG13 VAL 38 HG13 VAL 38 -8.798 1.889 3.174 278 HG21 VAL 38 HG21 VAL 38 -8.903 -0.202 1.768 279 HG22 VAL 38 HG22 VAL 38 -7.428 0.328 0.959 280 HG23 VAL 38 HG23 VAL 38 -8.862 -0.065 0.012 281 H ASP 39 HN ASP 39 -11.349 3.002 2.999 282 HA ASP 39 HA ASP 39 -12.931 5.105 2.417 283 HB2 ASP 39 HB2 ASP 39 -12.777 4.272 4.519 284 HB3 ASP 39 HB1 ASP 39 -11.050 4.473 4.625 285 H SER 40 HN SER 40 -9.703 5.210 1.548 286 HA SER 40 HA SER 40 -8.335 6.793 0.640 287 HB2 SER 40 HB2 SER 40 -10.058 7.705 -0.622 288 HB3 SER 40 HB1 SER 40 -10.742 8.555 0.792 289 H LEU 41 HN LEU 41 -10.053 8.400 3.340 290 HA LEU 41 HA LEU 41 -7.558 9.688 3.860 291 HB2 LEU 41 HB2 LEU 41 -8.541 10.547 6.025 292 HB3 LEU 41 HB1 LEU 41 -9.368 11.046 4.575 293 HG LEU 41 HG LEU 41 -10.482 8.700 6.045 294 HD11 LEU 41 HD11 LEU 41 -11.653 10.211 7.567 295 HD12 LEU 41 HD12 LEU 41 -10.732 11.580 6.929 296 HD13 LEU 41 HD13 LEU 41 -9.908 10.289 7.811 297 HD21 LEU 41 HD21 LEU 41 -12.579 9.727 5.346 298 HD22 LEU 41 HD22 LEU 41 -11.525 9.568 3.946 299 HD23 LEU 41 HD23 LEU 41 -11.715 11.130 4.735 300 H SER 42 HN SER 42 -9.177 6.891 4.970 301 HA SER 42 HA SER 42 -7.371 6.109 6.984 302 HB2 SER 42 HB2 SER 42 -9.146 4.576 5.131 303 HB3 SER 42 HB1 SER 42 -8.352 3.824 6.489 304 HG SER 42 HG SER 42 -10.335 5.855 6.456 305 H MET 43 HN MET 43 -6.989 6.331 3.606 306 HA MET 43 HA MET 43 -5.381 4.109 3.017 307 HB2 MET 43 HB2 MET 43 -5.804 6.746 1.699 308 HB3 MET 43 HB1 MET 43 -4.532 5.673 1.145 309 HG2 MET 43 HG2 MET 43 -7.285 4.597 1.427 310 HG3 MET 43 HG1 MET 43 -6.888 5.687 0.091 311 HE1 MET 43 HE1 MET 43 -4.138 3.271 1.553 312 HE2 MET 43 HE2 MET 43 -4.441 1.800 0.629 313 HE3 MET 43 HE3 MET 43 -5.591 2.318 1.864 314 H VAL 44 HN VAL 44 -4.665 7.346 4.065 315 HA VAL 44 HA VAL 44 -1.948 7.308 3.662 316 HB VAL 44 HB VAL 44 -3.373 8.716 5.944 317 HG11 VAL 44 HG11 VAL 44 -0.772 9.355 4.550 318 HG12 VAL 44 HG12 VAL 44 -0.949 8.742 6.192 319 HG13 VAL 44 HG13 VAL 44 -1.548 10.352 5.781 320 HG21 VAL 44 HG21 VAL 44 -4.437 9.182 3.813 321 HG22 VAL 44 HG22 VAL 44 -2.880 9.628 3.108 322 HG23 VAL 44 HG23 VAL 44 -3.582 10.614 4.394 323 H GLU 45 HN GLU 45 -3.854 6.299 6.492 324 HA GLU 45 HA GLU 45 -1.885 5.433 8.285 325 HB2 GLU 45 HB2 GLU 45 -4.551 4.138 7.716 326 HB3 GLU 45 HB1 GLU 45 -3.547 3.825 9.117 327 HG2 GLU 45 HG2 GLU 45 -4.913 6.412 8.437 328 HG3 GLU 45 HG1 GLU 45 -5.362 5.175 9.633 329 H VAL 46 HN VAL 46 -3.520 3.730 5.685 330 HA VAL 46 HA VAL 46 -2.388 1.201 6.029 331 HB VAL 46 HB VAL 46 -3.360 2.405 3.418 332 HG11 VAL 46 HG11 VAL 46 -2.184 0.315 3.088 333 HG12 VAL 46 HG12 VAL 46 -3.910 0.132 2.765 334 HG13 VAL 46 HG13 VAL 46 -3.231 -0.472 4.272 335 HG21 VAL 46 HG21 VAL 46 -4.948 1.002 5.562 336 HG22 VAL 46 HG22 VAL 46 -5.541 1.392 3.948 337 HG23 VAL 46 HG23 VAL 46 -5.097 2.688 5.047 338 H VAL 47 HN VAL 47 -1.136 4.041 4.677 339 HA VAL 47 HA VAL 47 0.876 2.807 2.933 340 HB VAL 47 HB VAL 47 0.815 5.675 3.879 341 HG11 VAL 47 HG11 VAL 47 2.089 6.100 1.839 342 HG12 VAL 47 HG12 VAL 47 2.050 4.371 1.474 343 HG13 VAL 47 HG13 VAL 47 2.890 4.950 2.912 344 HG21 VAL 47 HG21 VAL 47 -0.484 4.552 1.405 345 HG22 VAL 47 HG22 VAL 47 -0.359 6.260 1.825 346 HG23 VAL 47 HG23 VAL 47 -1.328 5.172 2.818 347 H VAL 48 HN VAL 48 0.798 4.794 5.825 348 HA VAL 48 HA VAL 48 3.527 4.494 6.384 349 HB VAL 48 HB VAL 48 1.250 5.281 8.240 350 HG11 VAL 48 HG11 VAL 48 4.221 5.722 8.528 351 HG12 VAL 48 HG12 VAL 48 3.241 4.618 9.487 352 HG13 VAL 48 HG13 VAL 48 2.973 6.358 9.600 353 HG21 VAL 48 HG21 VAL 48 1.941 7.583 7.756 354 HG22 VAL 48 HG22 VAL 48 1.407 6.739 6.301 355 HG23 VAL 48 HG23 VAL 48 3.128 6.976 6.601 356 H ALA 49 HN ALA 49 0.687 2.526 7.109 357 HA ALA 49 HA ALA 49 2.001 1.092 9.087 358 HB1 ALA 49 HB1 ALA 49 -0.416 1.247 9.095 359 HB2 ALA 49 HB2 ALA 49 0.072 -0.443 8.983 360 HB3 ALA 49 HB3 ALA 49 -0.496 0.409 7.545 361 H ALA 50 HN ALA 50 1.614 0.966 5.676 362 HA ALA 50 HA ALA 50 2.500 -1.643 5.164 363 HB1 ALA 50 HB1 ALA 50 1.347 -0.328 3.427 364 HB2 ALA 50 HB2 ALA 50 2.930 -0.791 2.837 365 HB3 ALA 50 HB3 ALA 50 2.645 0.843 3.413 366 H GLU 51 HN GLU 51 4.214 1.458 5.179 367 HA GLU 51 HA GLU 51 6.650 0.182 4.684 368 HB2 GLU 51 HB2 GLU 51 7.745 2.346 5.206 369 HB3 GLU 51 HB1 GLU 51 6.567 2.371 3.943 370 HG2 GLU 51 HG2 GLU 51 5.930 4.158 4.866 371 HG3 GLU 51 HG1 GLU 51 4.981 3.133 5.941 372 H GLU 52 HN GLU 52 5.143 0.997 7.663 373 HA GLU 52 HA GLU 52 7.278 0.431 9.406 374 HB2 GLU 52 HB2 GLU 52 4.303 0.256 9.699 375 HB3 GLU 52 HB1 GLU 52 5.383 -0.206 11.010 376 HG2 GLU 52 HG2 GLU 52 6.275 2.006 11.088 377 HG3 GLU 52 HG1 GLU 52 5.343 2.461 9.665 378 H ARG 53 HN ARG 53 5.003 -1.588 7.773 379 HA ARG 53 HA ARG 53 5.627 -3.901 9.379 380 HB2 ARG 53 HB2 ARG 53 3.316 -3.448 8.677 381 HB3 ARG 53 HB1 ARG 53 3.798 -3.619 6.998 382 HG2 ARG 53 HG2 ARG 53 4.407 -5.960 7.437 383 HG3 ARG 53 HG1 ARG 53 3.844 -5.773 9.098 384 HD2 ARG 53 HD2 ARG 53 2.166 -5.396 6.627 385 HD3 ARG 53 HD1 ARG 53 2.174 -6.843 7.620 386 HE ARG 53 HE ARG 53 1.361 -4.214 8.703 387 HH11 ARG 53 HH11 ARG 53 0.739 -7.671 8.271 388 HH12 ARG 53 HH12 ARG 53 -0.756 -7.640 9.098 389 HH21 ARG 53 HH21 ARG 53 -0.738 -4.156 9.729 390 HH22 ARG 53 HH22 ARG 53 -1.663 -5.589 9.857 391 H PHE 54 HN PHE 54 6.298 -2.715 6.140 392 HA PHE 54 HA PHE 54 7.373 -5.317 5.448 393 HB2 PHE 54 HB2 PHE 54 7.364 -2.891 3.679 394 HB3 PHE 54 HB1 PHE 54 7.626 -4.574 3.211 395 HD1 PHE 54 HD2 PHE 54 5.574 -5.935 4.772 396 HD2 PHE 54 HD1 PHE 54 5.458 -2.306 2.595 397 HE1 PHE 54 HE2 PHE 54 3.165 -6.169 4.530 398 HE2 PHE 54 HE1 PHE 54 3.064 -2.526 2.344 399 HZ PHE 54 HZ PHE 54 1.895 -4.457 3.313 400 H ASP 55 HN ASP 55 8.656 -2.004 5.861 401 HA ASP 55 HA ASP 55 10.966 -2.401 6.979 402 HB2 ASP 55 HB2 ASP 55 11.682 -4.089 5.273 403 HB3 ASP 55 HB1 ASP 55 11.561 -2.860 4.031 404 H VAL 56 HN VAL 56 9.412 -0.813 4.309 405 HA VAL 56 HA VAL 56 11.558 0.992 3.741 406 HB VAL 56 HB VAL 56 10.052 -0.099 2.063 407 HG11 VAL 56 HG11 VAL 56 7.985 0.024 3.128 408 HG12 VAL 56 HG12 VAL 56 7.898 0.831 1.562 409 HG13 VAL 56 HG13 VAL 56 7.987 1.784 3.044 410 HG21 VAL 56 HG21 VAL 56 9.978 2.897 1.821 411 HG22 VAL 56 HG22 VAL 56 9.859 1.698 0.534 412 HG23 VAL 56 HG23 VAL 56 11.363 1.867 1.442 413 H LYS 57 HN LYS 57 10.735 3.435 3.358 414 HA LYS 57 HA LYS 57 8.843 4.269 5.385 415 HB2 LYS 57 HB2 LYS 57 11.194 4.790 6.153 416 HB3 LYS 57 HB1 LYS 57 11.378 5.718 4.666 417 HG2 LYS 57 HG2 LYS 57 10.271 7.487 5.440 418 HG3 LYS 57 HG1 LYS 57 9.018 6.495 6.187 419 HD2 LYS 57 HD2 LYS 57 11.768 6.978 7.329 420 HD3 LYS 57 HD1 LYS 57 10.297 7.825 7.825 421 HE2 LYS 57 HE2 LYS 57 10.710 4.833 7.986 422 HE3 LYS 57 HE1 LYS 57 10.888 5.947 9.342 423 HZ1 LYS 57 HZ1 LYS 57 8.538 6.479 9.150 424 HZ2 LYS 57 HZ2 LYS 57 8.758 4.812 9.310 425 HZ3 LYS 57 HZ3 LYS 57 8.359 5.446 7.822 426 H ILE 58 HN ILE 58 7.399 5.639 4.582 427 HA ILE 58 HA ILE 58 7.820 6.437 1.782 428 HB ILE 58 HB ILE 58 5.150 5.606 2.971 429 HG12 ILE 58 HG12 ILE 58 6.977 4.044 1.109 430 HG13 ILE 58 HG11 ILE 58 6.740 3.703 2.814 431 HG21 ILE 58 HG21 ILE 58 6.007 6.152 0.122 432 HG22 ILE 58 HG22 ILE 58 4.989 7.196 1.115 433 HG23 ILE 58 HG23 ILE 58 4.409 5.604 0.630 434 HD11 ILE 58 HD11 ILE 58 5.489 2.183 1.409 435 HD12 ILE 58 HD12 ILE 58 4.627 3.539 0.677 436 HD13 ILE 58 HD13 ILE 58 4.405 3.169 2.389 437 HA PRO 59 HA PRO 59 6.968 10.502 3.716 438 HB2 PRO 59 HB2 PRO 59 7.536 11.891 1.505 439 HB3 PRO 59 HB1 PRO 59 8.840 11.287 2.568 440 HG2 PRO 59 HG2 PRO 59 7.699 10.147 0.042 441 HG3 PRO 59 HG1 PRO 59 9.424 10.347 0.472 442 HD2 PRO 59 HD2 PRO 59 8.202 7.975 0.705 443 HD3 PRO 59 HD1 PRO 59 9.357 8.519 1.946 444 H ASP 60 HN ASP 60 5.408 12.139 3.228 445 HA ASP 60 HA ASP 60 2.931 11.387 2.272 446 HB2 ASP 60 HB2 ASP 60 3.069 13.340 3.608 447 HB3 ASP 60 HB1 ASP 60 4.198 14.112 2.506 448 H ASP 61 HN ASP 61 5.504 13.035 0.528 449 HA ASP 61 HA ASP 61 4.030 13.419 -1.818 450 HB2 ASP 61 HB2 ASP 61 6.006 14.751 -1.412 451 HB3 ASP 61 HB1 ASP 61 7.025 13.315 -1.478 452 H ASP 62 HN ASP 62 5.887 10.665 -0.780 453 HA ASP 62 HA ASP 62 5.470 9.450 -3.376 454 HB2 ASP 62 HB2 ASP 62 6.938 8.416 -0.944 455 HB3 ASP 62 HB1 ASP 62 6.566 7.379 -2.312 456 H VAL 63 HN VAL 63 4.101 9.374 -0.229 457 HA VAL 63 HA VAL 63 2.407 7.149 -0.334 458 HB VAL 63 HB VAL 63 1.844 9.936 0.799 459 HG11 VAL 63 HG11 VAL 63 0.086 8.941 2.140 460 HG12 VAL 63 HG12 VAL 63 0.407 7.372 1.404 461 HG13 VAL 63 HG13 VAL 63 -0.222 8.688 0.417 462 HG21 VAL 63 HG21 VAL 63 3.733 8.852 1.869 463 HG22 VAL 63 HG22 VAL 63 2.748 7.420 2.183 464 HG23 VAL 63 HG23 VAL 63 2.361 8.948 2.974 465 H LYS 64 HN LYS 64 1.799 10.449 -1.344 466 HA LYS 64 HA LYS 64 -0.710 9.904 -2.564 467 HB2 LYS 64 HB2 LYS 64 -0.717 12.234 -3.248 468 HB3 LYS 64 HB1 LYS 64 -0.168 12.086 -1.590 469 HG2 LYS 64 HG2 LYS 64 2.183 12.292 -2.464 470 HG3 LYS 64 HG1 LYS 64 1.476 12.694 -4.034 471 HD2 LYS 64 HD2 LYS 64 0.158 14.514 -2.748 472 HD3 LYS 64 HD1 LYS 64 1.302 14.149 -1.445 473 HE2 LYS 64 HE2 LYS 64 1.927 16.100 -2.840 474 HE3 LYS 64 HE1 LYS 64 3.177 14.883 -2.738 475 HZ1 LYS 64 HZ1 LYS 64 2.443 14.070 -4.936 476 HZ2 LYS 64 HZ2 LYS 64 2.969 15.654 -4.950 477 HZ3 LYS 64 HZ3 LYS 64 1.325 15.338 -5.032 478 H ASN 65 HN ASN 65 2.168 8.928 -3.662 479 HA ASN 65 HA ASN 65 1.733 9.515 -6.498 480 HB2 ASN 65 HB2 ASN 65 4.033 9.811 -5.358 481 HB3 ASN 65 HB1 ASN 65 4.030 8.056 -5.204 482 HD21 ASN 65 HD21 ASN 65 5.861 9.880 -6.671 483 HD22 ASN 65 HD22 ASN 65 5.857 9.315 -8.285 484 H LEU 66 HN LEU 66 1.405 7.082 -4.027 485 HA LEU 66 HA LEU 66 1.350 4.918 -5.924 486 HB2 LEU 66 HB2 LEU 66 0.766 4.859 -2.975 487 HB3 LEU 66 HB1 LEU 66 1.252 3.533 -3.999 488 HG LEU 66 HG LEU 66 2.990 5.794 -3.015 489 HD11 LEU 66 HD11 LEU 66 2.471 4.256 -1.283 490 HD12 LEU 66 HD12 LEU 66 4.154 3.978 -1.776 491 HD13 LEU 66 HD13 LEU 66 2.889 2.879 -2.278 492 HD21 LEU 66 HD21 LEU 66 3.717 3.421 -4.739 493 HD22 LEU 66 HD22 LEU 66 4.856 4.584 -4.057 494 HD23 LEU 66 HD23 LEU 66 3.677 5.105 -5.263 495 H LYS 67 HN LYS 67 -0.545 4.432 -6.761 496 HA LYS 67 HA LYS 67 -2.984 5.294 -5.319 497 HB2 LYS 67 HB2 LYS 67 -2.936 4.509 -8.250 498 HB3 LYS 67 HB1 LYS 67 -4.221 5.323 -7.382 499 HG2 LYS 67 HG2 LYS 67 -3.368 7.049 -8.609 500 HG3 LYS 67 HG1 LYS 67 -2.400 7.213 -7.140 501 HD2 LYS 67 HD2 LYS 67 -0.573 5.990 -8.173 502 HD3 LYS 67 HD1 LYS 67 -1.544 5.714 -9.620 503 HE2 LYS 67 HE2 LYS 67 -1.661 8.186 -9.916 504 HE3 LYS 67 HE1 LYS 67 -0.536 8.350 -8.570 505 HZ1 LYS 67 HZ1 LYS 67 1.081 7.002 -9.888 506 HZ2 LYS 67 HZ2 LYS 67 0.658 8.433 -10.640 507 HZ3 LYS 67 HZ3 LYS 67 -0.028 6.996 -11.162 508 H THR 68 HN THR 68 -1.424 2.676 -7.140 509 HA THR 68 HA THR 68 -3.445 0.817 -6.180 510 HB THR 68 HB THR 68 -2.580 -0.689 -7.833 511 HG1 THR 68 HG1 THR 68 -0.878 1.378 -8.752 512 HG21 THR 68 HG21 THR 68 -3.118 0.512 -9.919 513 HG22 THR 68 HG22 THR 68 -2.984 2.045 -9.055 514 HG23 THR 68 HG23 THR 68 -4.262 0.905 -8.633 515 H VAL 69 HN VAL 69 -2.366 -1.371 -5.883 516 HA VAL 69 HA VAL 69 -0.270 -1.014 -3.984 517 HB VAL 69 HB VAL 69 -1.816 -2.467 -3.055 518 HG11 VAL 69 HG11 VAL 69 -2.997 -4.209 -4.253 519 HG12 VAL 69 HG12 VAL 69 -2.092 -3.761 -5.707 520 HG13 VAL 69 HG13 VAL 69 -3.199 -2.605 -4.973 521 HG21 VAL 69 HG21 VAL 69 -0.055 -4.432 -4.496 522 HG22 VAL 69 HG22 VAL 69 -0.972 -4.756 -3.018 523 HG23 VAL 69 HG23 VAL 69 0.381 -3.614 -2.994 524 H GLY 70 HN GLY 70 -0.698 -1.609 -7.196 525 HA2 GLY 70 HA2 GLY 70 1.706 -3.103 -7.677 526 HA3 GLY 70 HA1 GLY 70 0.858 -2.102 -8.861 527 H ASP 71 HN ASP 71 0.742 0.253 -7.762 528 HA ASP 71 HA ASP 71 3.093 1.599 -8.121 529 HB2 ASP 71 HB2 ASP 71 0.575 2.062 -6.666 530 HB3 ASP 71 HB1 ASP 71 1.793 3.272 -6.553 531 H ALA 72 HN ALA 72 1.432 0.796 -5.126 532 HA ALA 72 HA ALA 72 3.191 1.858 -3.240 533 HB1 ALA 72 HB1 ALA 72 1.536 -0.629 -2.930 534 HB2 ALA 72 HB2 ALA 72 0.902 1.012 -2.753 535 HB3 ALA 72 HB3 ALA 72 2.143 0.400 -1.649 536 H THR 73 HN THR 73 2.894 -1.464 -4.083 537 HA THR 73 HA THR 73 4.957 -2.360 -2.591 538 HB THR 73 HB THR 73 4.012 -3.540 -5.200 539 HG1 THR 73 HG1 THR 73 2.251 -3.512 -4.032 540 HG21 THR 73 HG21 THR 73 5.235 -4.712 -2.755 541 HG22 THR 73 HG22 THR 73 6.060 -4.469 -4.295 542 HG23 THR 73 HG23 THR 73 4.706 -5.631 -4.180 543 H LYS 74 HN LYS 74 5.123 -1.576 -6.043 544 HA LYS 74 HA LYS 74 7.687 -2.038 -6.795 545 HB2 LYS 74 HB2 LYS 74 5.444 -0.414 -7.526 546 HB3 LYS 74 HB1 LYS 74 6.956 0.355 -7.968 547 HG2 LYS 74 HG2 LYS 74 6.028 -0.951 -9.813 548 HG3 LYS 74 HG1 LYS 74 7.589 -1.575 -9.293 549 HD2 LYS 74 HD2 LYS 74 6.449 -3.345 -8.050 550 HD3 LYS 74 HD1 LYS 74 4.888 -2.707 -8.578 551 HE2 LYS 74 HE2 LYS 74 5.658 -4.625 -9.949 552 HE3 LYS 74 HE1 LYS 74 5.446 -3.152 -10.893 553 HZ1 LYS 74 HZ1 LYS 74 8.043 -4.018 -9.792 554 HZ2 LYS 74 HZ2 LYS 74 7.816 -2.839 -10.975 555 HZ3 LYS 74 HZ3 LYS 74 7.543 -4.481 -11.315 556 H TYR 75 HN TYR 75 6.381 0.464 -4.855 557 HA TYR 75 HA TYR 75 8.740 2.167 -4.959 558 HB2 TYR 75 HB2 TYR 75 6.453 3.140 -4.832 559 HB3 TYR 75 HB1 TYR 75 6.233 2.292 -3.338 560 HD1 TYR 75 HD1 TYR 75 8.801 4.559 -4.754 561 HD2 TYR 75 HD2 TYR 75 6.553 3.371 -1.364 562 HE1 TYR 75 HE1 TYR 75 9.743 6.392 -3.526 563 HE2 TYR 75 HE2 TYR 75 7.496 5.228 -0.082 564 HH TYR 75 HH TYR 75 9.553 6.625 -0.174 565 H ILE 76 HN ILE 76 6.959 0.207 -2.731 566 HA ILE 76 HA ILE 76 8.424 0.683 -0.448 567 HB ILE 76 HB ILE 76 6.769 -1.692 -1.321 568 HG12 ILE 76 HG12 ILE 76 6.164 0.368 0.749 569 HG13 ILE 76 HG11 ILE 76 5.820 0.660 -0.948 570 HG21 ILE 76 HG21 ILE 76 7.866 -1.091 1.432 571 HG22 ILE 76 HG22 ILE 76 8.357 -2.437 0.399 572 HG23 ILE 76 HG23 ILE 76 6.714 -2.368 1.036 573 HD11 ILE 76 HD11 ILE 76 3.857 -0.167 0.241 574 HD12 ILE 76 HD12 ILE 76 4.776 -1.623 0.711 575 HD13 ILE 76 HD13 ILE 76 4.430 -1.293 -0.994 576 H LEU 77 HN LEU 77 8.538 -2.188 -2.580 577 HA LEU 77 HA LEU 77 10.636 -3.378 -1.346 578 HB2 LEU 77 HB2 LEU 77 10.800 -4.731 -3.410 579 HB3 LEU 77 HB1 LEU 77 9.170 -4.614 -2.727 580 HG LEU 77 HG LEU 77 9.047 -2.775 -4.422 581 HD11 LEU 77 HD11 LEU 77 11.346 -2.905 -5.297 582 HD12 LEU 77 HD12 LEU 77 10.248 -3.406 -6.585 583 HD13 LEU 77 HD13 LEU 77 11.143 -4.618 -5.662 584 HD21 LEU 77 HD21 LEU 77 7.630 -4.605 -4.326 585 HD22 LEU 77 HD22 LEU 77 8.851 -5.685 -5.017 586 HD23 LEU 77 HD23 LEU 77 8.104 -4.423 -6.023 587 H ASP 78 HN ASP 78 10.545 -1.082 -3.855 588 HA ASP 78 HA ASP 78 13.257 -1.332 -4.740 589 HB2 ASP 78 HB2 ASP 78 11.759 -0.720 -6.341 590 HB3 ASP 78 HB1 ASP 78 10.945 0.501 -5.408 591 H HIS 79 HN HIS 79 11.576 0.537 -2.404 592 HA HIS 79 HA HIS 79 13.853 2.305 -2.099 593 HB2 HIS 79 HB2 HIS 79 11.343 2.986 -2.047 594 HB3 HIS 79 HB1 HIS 79 11.387 2.388 -0.398 595 HD1 HIS 79 HD1 HIS 79 12.886 3.830 1.336 596 HD2 HIS 79 HD2 HIS 79 12.455 5.341 -2.503 597 HE1 HIS 79 HE1 HIS 79 13.645 6.183 1.486 598 HE2 HIS 79 HE2 HIS 79 13.113 7.173 -0.752 599 H GLN 80 HN GLN 80 12.559 -0.633 -0.729 600 HA GLN 80 HA GLN 80 13.867 -0.356 1.841 601 HB2 GLN 80 HB2 GLN 80 13.481 -2.978 0.584 602 HB3 GLN 80 HB1 GLN 80 13.410 -2.538 2.269 603 HG2 GLN 80 HG2 GLN 80 11.226 -1.556 1.935 604 HG3 GLN 80 HG1 GLN 80 11.291 -1.990 0.226 605 HE21 GLN 80 HE21 GLN 80 9.306 -2.909 1.901 606 HE22 GLN 80 HE22 GLN 80 9.475 -4.629 2.090 607 H ALA 81 HN ALA 81 14.358 -2.070 -0.947 608 HA ALA 81 HA ALA 81 17.117 -2.568 -0.177 609 HB1 ALA 81 HB1 ALA 81 15.420 -4.190 -2.060 610 HB2 ALA 81 HB2 ALA 81 15.806 -4.599 -0.389 611 HB3 ALA 81 HB3 ALA 81 17.083 -4.562 -1.608 612 H1 SYO 101 H1A SYO 101 -1.544 6.969 -0.662 613 H1A SYO 101 H1B SYO 101 -2.724 7.307 -1.950 614 H2 SYO 101 H2A SYO 101 -4.076 5.478 -1.128 615 H2A SYO 101 H2B SYO 101 -2.977 5.224 0.221 616 H4 SYO 101 H4A SYO 101 -0.561 5.054 -0.474 617 H4A SYO 101 H4B SYO 101 -0.244 4.884 -2.193 618 H5 SYO 101 H5A SYO 101 0.754 3.015 -1.320 619 H5A SYO 101 H5B SYO 101 -0.827 2.412 -1.832 620 H6 SYO 101 H6A SYO 101 -1.663 2.461 0.368 621 H6A SYO 101 H6B SYO 101 -0.270 3.425 0.883 622 H7 SYO 101 H7A SYO 101 -0.028 0.610 -0.149 623 H7A SYO 101 H7B SYO 101 -0.170 0.998 1.579 624 H8 SYO 101 H8C SYO 101 1.843 2.402 1.388 625 H8A SYO 101 H8A SYO 101 1.965 1.982 -0.321 626 H8B SYO 101 H8B SYO 101 2.172 0.735 0.912 627 H28 SYO 101 H28A SYO 101 -7.799 11.772 -1.796 628 H28A SYO 101 H28B SYO 101 -7.865 10.043 -2.037 629 H30 SYO 101 H30A SYO 101 -9.857 12.193 -5.061 630 H30A SYO 101 H30B SYO 101 -9.431 13.033 -3.556 631 H30B SYO 101 H30C SYO 101 -10.555 11.671 -3.520 632 H31 SYO 101 H31A SYO 101 -7.397 11.753 -5.473 633 H31A SYO 101 H31B SYO 101 -6.448 10.988 -4.193 634 H31B SYO 101 H31C SYO 101 -7.045 12.633 -3.979 635 H32 SYO 101 H32A SYO 101 -9.523 9.162 -3.703 636 HO33 SYO 101 H33A SYO 101 -9.081 9.194 -6.218 637 HN36 SYO 101 H36A SYO 101 -7.212 9.142 -2.817 638 H37 SYO 101 H37A SYO 101 -5.459 7.534 -2.576 639 H37A SYO 101 H37B SYO 101 -5.966 6.851 -4.104 640 H38 SYO 101 H38A SYO 101 -3.744 7.643 -4.318 641 H38A SYO 101 H38B SYO 101 -4.785 8.664 -5.345 642 HN41 SYO 101 H41A SYO 101 -4.009 8.549 -1.935 643 H42 SYO 101 H42A SYO 101 -2.447 10.956 -1.925 644 H42A SYO 101 H42B SYO 101 -4.023 10.996 -1.172 645 H43 SYO 101 H43A SYO 101 -2.731 10.372 0.653 646 H43A SYO 101 H43B SYO 101 -1.690 9.499 -0.424 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 12.695 -5.440 6.666 2 H2 ALA 1 HT2 ALA 1 12.533 -7.113 6.457 3 H3 ALA 1 HT3 ALA 1 11.221 -6.146 6.203 4 HA ALA 1 HA ALA 1 12.371 -5.157 4.276 5 HB1 ALA 1 HB1 ALA 1 14.238 -7.475 4.834 6 HB2 ALA 1 HB2 ALA 1 14.659 -5.767 4.937 7 HB3 ALA 1 HB3 ALA 1 14.246 -6.479 3.379 8 H ALA 2 HN ALA 2 11.361 -5.898 2.462 9 HA ALA 2 HA ALA 2 10.123 -8.521 2.616 10 HB1 ALA 2 HB1 ALA 2 8.786 -5.874 2.626 11 HB2 ALA 2 HB2 ALA 2 8.635 -7.163 3.837 12 HB3 ALA 2 HB3 ALA 2 7.971 -7.363 2.205 13 H THR 3 HN THR 3 10.046 -9.309 0.618 14 HA THR 3 HA THR 3 10.286 -7.471 -1.628 15 HB THR 3 HB THR 3 11.597 -9.678 -1.588 16 HG1 THR 3 HG1 THR 3 11.431 -8.778 -3.499 17 HG21 THR 3 HG21 THR 3 9.857 -11.122 -0.646 18 HG22 THR 3 HG22 THR 3 10.372 -11.732 -2.219 19 HG23 THR 3 HG23 THR 3 8.849 -10.853 -2.067 20 H GLN 4 HN GLN 4 8.669 -8.212 -3.464 21 HA GLN 4 HA GLN 4 6.259 -7.150 -2.718 22 HB2 GLN 4 HB2 GLN 4 6.672 -7.109 -5.025 23 HB3 GLN 4 HB1 GLN 4 6.855 -8.857 -5.119 24 HG2 GLN 4 HG2 GLN 4 4.243 -7.764 -4.239 25 HG3 GLN 4 HG1 GLN 4 4.648 -7.627 -5.941 26 HE21 GLN 4 HE21 GLN 4 2.638 -9.369 -4.283 27 HE22 GLN 4 HE22 GLN 4 2.996 -10.941 -4.845 28 H GLU 5 HN GLU 5 6.822 -10.630 -2.888 29 HA GLU 5 HA GLU 5 4.208 -11.351 -2.238 30 HB2 GLU 5 HB2 GLU 5 6.804 -12.791 -2.030 31 HB3 GLU 5 HB1 GLU 5 5.337 -13.519 -1.385 32 HG2 GLU 5 HG2 GLU 5 5.670 -12.559 -4.216 33 HG3 GLU 5 HG1 GLU 5 5.867 -14.228 -3.683 34 H GLU 6 HN GLU 6 6.645 -10.171 -0.146 35 HA GLU 6 HA GLU 6 5.188 -10.971 2.244 36 HB2 GLU 6 HB2 GLU 6 7.740 -10.794 2.239 37 HB3 GLU 6 HB1 GLU 6 7.537 -9.122 1.878 38 HG2 GLU 6 HG2 GLU 6 8.037 -9.255 4.176 39 HG3 GLU 6 HG1 GLU 6 6.338 -8.825 4.047 40 H ILE 7 HN ILE 7 5.606 -8.225 0.057 41 HA ILE 7 HA ILE 7 4.654 -6.201 1.824 42 HB ILE 7 HB ILE 7 4.967 -6.239 -1.185 43 HG12 ILE 7 HG12 ILE 7 6.725 -4.997 0.926 44 HG13 ILE 7 HG11 ILE 7 7.032 -6.568 0.192 45 HG21 ILE 7 HG21 ILE 7 4.520 -3.920 0.700 46 HG22 ILE 7 HG22 ILE 7 3.366 -4.538 -0.481 47 HG23 ILE 7 HG23 ILE 7 4.863 -3.786 -1.025 48 HD11 ILE 7 HD11 ILE 7 8.379 -4.835 -0.836 49 HD12 ILE 7 HD12 ILE 7 6.920 -3.928 -1.246 50 HD13 ILE 7 HD13 ILE 7 7.218 -5.498 -1.987 51 H VAL 8 HN VAL 8 3.305 -7.405 -1.227 52 HA VAL 8 HA VAL 8 0.737 -6.330 -0.805 53 HB VAL 8 HB VAL 8 1.413 -8.716 -2.534 54 HG11 VAL 8 HG11 VAL 8 -0.432 -7.970 -3.958 55 HG12 VAL 8 HG12 VAL 8 -0.765 -6.655 -2.831 56 HG13 VAL 8 HG13 VAL 8 -0.979 -8.330 -2.321 57 HG21 VAL 8 HG21 VAL 8 2.951 -6.971 -3.042 58 HG22 VAL 8 HG22 VAL 8 1.646 -5.806 -3.201 59 HG23 VAL 8 HG23 VAL 8 1.790 -7.132 -4.358 60 H ALA 9 HN ALA 9 2.057 -9.271 0.318 61 HA ALA 9 HA ALA 9 -0.431 -10.326 0.918 62 HB1 ALA 9 HB1 ALA 9 2.233 -10.944 2.173 63 HB2 ALA 9 HB2 ALA 9 1.512 -11.751 0.778 64 HB3 ALA 9 HB3 ALA 9 0.773 -11.911 2.375 65 H GLY 10 HN GLY 10 1.853 -8.184 2.634 66 HA2 GLY 10 HA2 GLY 10 0.404 -8.383 5.030 67 HA3 GLY 10 HA1 GLY 10 1.889 -7.467 4.843 68 H LEU 11 HN LEU 11 0.881 -6.155 2.488 69 HA LEU 11 HA LEU 11 -0.284 -3.929 3.692 70 HB2 LEU 11 HB2 LEU 11 1.008 -4.579 1.365 71 HB3 LEU 11 HB1 LEU 11 -0.615 -4.237 0.816 72 HG LEU 11 HG LEU 11 1.162 -2.365 2.387 73 HD11 LEU 11 HD11 LEU 11 0.320 -2.355 -0.509 74 HD12 LEU 11 HD12 LEU 11 1.935 -2.706 0.110 75 HD13 LEU 11 HD13 LEU 11 1.250 -1.091 0.296 76 HD21 LEU 11 HD21 LEU 11 -1.183 -1.994 2.884 77 HD22 LEU 11 HD22 LEU 11 -1.552 -1.920 1.164 78 HD23 LEU 11 HD23 LEU 11 -0.536 -0.680 1.902 79 H ALA 12 HN ALA 12 -1.507 -6.687 1.875 80 HA ALA 12 HA ALA 12 -4.188 -5.971 1.521 81 HB1 ALA 12 HB1 ALA 12 -3.217 -7.989 0.558 82 HB2 ALA 12 HB2 ALA 12 -4.647 -8.349 1.545 83 HB3 ALA 12 HB3 ALA 12 -3.040 -8.669 2.182 84 H GLU 13 HN GLU 13 -2.517 -7.461 4.223 85 HA GLU 13 HA GLU 13 -4.737 -7.890 5.857 86 HB2 GLU 13 HB2 GLU 13 -1.851 -7.519 6.569 87 HB3 GLU 13 HB1 GLU 13 -3.091 -8.126 7.660 88 HG2 GLU 13 HG2 GLU 13 -3.491 -9.992 6.230 89 HG3 GLU 13 HG1 GLU 13 -2.317 -9.383 5.062 90 H ILE 14 HN ILE 14 -2.490 -5.263 5.668 91 HA ILE 14 HA ILE 14 -3.519 -3.706 7.801 92 HB ILE 14 HB ILE 14 -2.299 -2.701 5.201 93 HG12 ILE 14 HG12 ILE 14 -0.882 -3.131 7.814 94 HG13 ILE 14 HG11 ILE 14 -1.029 -4.431 6.643 95 HG21 ILE 14 HG21 ILE 14 -2.527 -1.422 7.923 96 HG22 ILE 14 HG22 ILE 14 -3.433 -0.957 6.484 97 HG23 ILE 14 HG23 ILE 14 -1.682 -0.746 6.531 98 HD11 ILE 14 HD11 ILE 14 0.092 -3.092 5.006 99 HD12 ILE 14 HD12 ILE 14 1.077 -3.315 6.452 100 HD13 ILE 14 HD13 ILE 14 0.256 -1.768 6.164 101 H VAL 15 HN VAL 15 -4.507 -4.057 4.481 102 HA VAL 15 HA VAL 15 -6.411 -1.928 4.515 103 HB VAL 15 HB VAL 15 -6.050 -4.168 2.489 104 HG11 VAL 15 HG11 VAL 15 -7.276 -2.731 0.963 105 HG12 VAL 15 HG12 VAL 15 -7.549 -1.574 2.272 106 HG13 VAL 15 HG13 VAL 15 -8.258 -3.190 2.352 107 HG21 VAL 15 HG21 VAL 15 -5.076 -1.331 2.473 108 HG22 VAL 15 HG22 VAL 15 -4.899 -2.502 1.157 109 HG23 VAL 15 HG23 VAL 15 -4.099 -2.779 2.709 110 H ASN 16 HN ASN 16 -6.414 -5.241 5.338 111 HA ASN 16 HA ASN 16 -9.243 -5.728 5.311 112 HB2 ASN 16 HB2 ASN 16 -7.264 -7.028 7.223 113 HB3 ASN 16 HB1 ASN 16 -8.828 -7.622 6.728 114 HD21 ASN 16 HD21 ASN 16 -8.537 -7.193 4.016 115 HD22 ASN 16 HD22 ASN 16 -7.254 -8.292 3.505 116 H GLU 17 HN GLU 17 -6.909 -4.694 7.724 117 HA GLU 17 HA GLU 17 -8.831 -4.588 9.806 118 HB2 GLU 17 HB2 GLU 17 -5.986 -3.614 9.741 119 HB3 GLU 17 HB1 GLU 17 -6.987 -3.760 11.184 120 HG2 GLU 17 HG2 GLU 17 -7.218 -6.177 10.728 121 HG3 GLU 17 HG1 GLU 17 -6.104 -5.995 9.377 122 H ILE 18 HN ILE 18 -7.069 -2.021 8.047 123 HA ILE 18 HA ILE 18 -8.428 0.000 9.505 124 HB ILE 18 HB ILE 18 -6.822 0.319 6.949 125 HG12 ILE 18 HG12 ILE 18 -6.104 0.346 9.882 126 HG13 ILE 18 HG11 ILE 18 -5.540 -0.760 8.655 127 HG21 ILE 18 HG21 ILE 18 -7.628 2.302 9.086 128 HG22 ILE 18 HG22 ILE 18 -8.290 2.233 7.453 129 HG23 ILE 18 HG23 ILE 18 -6.588 2.633 7.698 130 HD11 ILE 18 HD11 ILE 18 -4.969 2.148 8.732 131 HD12 ILE 18 HD12 ILE 18 -4.366 0.997 7.529 132 HD13 ILE 18 HD13 ILE 18 -3.853 0.870 9.227 133 H ALA 19 HN ALA 19 -8.762 -1.140 6.141 134 HA ALA 19 HA ALA 19 -11.127 0.544 5.871 135 HB1 ALA 19 HB1 ALA 19 -9.789 -1.195 3.796 136 HB2 ALA 19 HB2 ALA 19 -9.513 0.530 4.029 137 HB3 ALA 19 HB3 ALA 19 -11.096 -0.045 3.501 138 H GLY 20 HN GLY 20 -10.501 -2.666 4.684 139 HA2 GLY 20 HA2 GLY 20 -11.834 -4.395 6.161 140 HA3 GLY 20 HA1 GLY 20 -13.199 -3.526 5.502 141 H ILE 21 HN ILE 21 -10.202 -4.394 3.954 142 HA ILE 21 HA ILE 21 -11.706 -5.633 1.828 143 HB ILE 21 HB ILE 21 -8.951 -4.674 2.192 144 HG12 ILE 21 HG12 ILE 21 -9.190 -4.011 -0.185 145 HG13 ILE 21 HG11 ILE 21 -10.738 -4.841 -0.234 146 HG21 ILE 21 HG21 ILE 21 -7.922 -5.982 0.382 147 HG22 ILE 21 HG22 ILE 21 -9.305 -7.082 0.419 148 HG23 ILE 21 HG23 ILE 21 -8.265 -6.921 1.826 149 HD11 ILE 21 HD11 ILE 21 -11.013 -2.437 0.014 150 HD12 ILE 21 HD12 ILE 21 -10.056 -2.470 1.498 151 HD13 ILE 21 HD13 ILE 21 -11.616 -3.289 1.437 152 HA PRO 22 HA PRO 22 -11.221 -9.764 3.444 153 HB2 PRO 22 HB2 PRO 22 -11.548 -10.625 0.711 154 HB3 PRO 22 HB1 PRO 22 -12.708 -10.824 2.073 155 HG2 PRO 22 HG2 PRO 22 -13.182 -9.213 -0.014 156 HG3 PRO 22 HG1 PRO 22 -13.642 -8.690 1.630 157 HD2 PRO 22 HD2 PRO 22 -11.208 -8.051 0.004 158 HD3 PRO 22 HD1 PRO 22 -12.289 -6.923 0.850 159 H VAL 23 HN VAL 23 -8.764 -8.536 2.385 160 HA VAL 23 HA VAL 23 -6.625 -8.921 1.866 161 HB VAL 23 HB VAL 23 -6.831 -10.283 3.925 162 HG11 VAL 23 HG11 VAL 23 -8.165 -12.116 3.232 163 HG12 VAL 23 HG12 VAL 23 -6.633 -12.713 3.875 164 HG13 VAL 23 HG13 VAL 23 -6.905 -12.673 2.132 165 HG21 VAL 23 HG21 VAL 23 -4.652 -11.434 3.783 166 HG22 VAL 23 HG22 VAL 23 -4.624 -9.806 3.108 167 HG23 VAL 23 HG23 VAL 23 -4.675 -11.203 2.035 168 H GLU 24 HN GLU 24 -8.715 -10.771 0.034 169 HA GLU 24 HA GLU 24 -6.547 -11.642 -1.715 170 HB2 GLU 24 HB2 GLU 24 -9.489 -12.109 -1.761 171 HB3 GLU 24 HB1 GLU 24 -8.393 -12.717 -3.003 172 HG2 GLU 24 HG2 GLU 24 -7.218 -14.001 -1.290 173 HG3 GLU 24 HG1 GLU 24 -8.343 -13.390 -0.075 174 H ASP 25 HN ASP 25 -8.557 -8.997 -1.385 175 HA ASP 25 HA ASP 25 -8.899 -8.476 -4.204 176 HB2 ASP 25 HB2 ASP 25 -9.467 -6.795 -1.767 177 HB3 ASP 25 HB1 ASP 25 -9.674 -6.189 -3.406 178 H VAL 26 HN VAL 26 -6.775 -7.641 -1.722 179 HA VAL 26 HA VAL 26 -5.510 -5.442 -3.105 180 HB VAL 26 HB VAL 26 -4.376 -7.046 -0.797 181 HG11 VAL 26 HG11 VAL 26 -3.729 -4.279 -1.808 182 HG12 VAL 26 HG12 VAL 26 -2.684 -5.695 -1.900 183 HG13 VAL 26 HG13 VAL 26 -3.099 -4.998 -0.326 184 HG21 VAL 26 HG21 VAL 26 -6.549 -6.139 -0.210 185 HG22 VAL 26 HG22 VAL 26 -6.031 -4.537 -0.740 186 HG23 VAL 26 HG23 VAL 26 -5.259 -5.300 0.651 187 H LYS 27 HN LYS 27 -4.903 -6.148 -5.123 188 HA LYS 27 HA LYS 27 -2.593 -7.946 -5.164 189 HB2 LYS 27 HB2 LYS 27 -4.767 -7.536 -7.238 190 HB3 LYS 27 HB1 LYS 27 -3.311 -8.472 -7.508 191 HG2 LYS 27 HG2 LYS 27 -5.415 -9.064 -5.447 192 HG3 LYS 27 HG1 LYS 27 -5.290 -9.852 -7.028 193 HD2 LYS 27 HD2 LYS 27 -3.142 -10.789 -6.426 194 HD3 LYS 27 HD1 LYS 27 -3.137 -9.890 -4.909 195 HE2 LYS 27 HE2 LYS 27 -3.738 -12.229 -4.554 196 HE3 LYS 27 HE1 LYS 27 -5.068 -11.152 -4.139 197 HZ1 LYS 27 HZ1 LYS 27 -4.832 -12.729 -6.657 198 HZ2 LYS 27 HZ2 LYS 27 -6.135 -11.714 -6.252 199 HZ3 LYS 27 HZ3 LYS 27 -5.828 -13.082 -5.354 200 H LEU 28 HN LEU 28 -1.260 -7.319 -7.164 201 HA LEU 28 HA LEU 28 -0.803 -4.536 -7.014 202 HB2 LEU 28 HB2 LEU 28 0.317 -6.573 -8.946 203 HB3 LEU 28 HB1 LEU 28 0.817 -4.902 -8.895 204 HG LEU 28 HG LEU 28 1.399 -5.461 -6.409 205 HD11 LEU 28 HD11 LEU 28 0.468 -7.665 -6.360 206 HD12 LEU 28 HD12 LEU 28 2.220 -7.737 -6.124 207 HD13 LEU 28 HD13 LEU 28 1.514 -8.162 -7.690 208 HD21 LEU 28 HD21 LEU 28 3.064 -6.354 -8.747 209 HD22 LEU 28 HD22 LEU 28 3.664 -6.018 -7.113 210 HD23 LEU 28 HD23 LEU 28 2.940 -4.725 -8.080 211 H ASP 29 HN ASP 29 -1.052 -3.065 -8.700 212 HA ASP 29 HA ASP 29 -2.092 -2.011 -10.430 213 HB2 ASP 29 HB2 ASP 29 -1.594 -4.067 -11.808 214 HB3 ASP 29 HB1 ASP 29 -3.096 -4.756 -11.255 215 H LYS 30 HN LYS 30 -3.313 -3.064 -7.797 216 HA LYS 30 HA LYS 30 -6.046 -2.316 -8.503 217 HB2 LYS 30 HB2 LYS 30 -5.205 -3.715 -5.977 218 HB3 LYS 30 HB1 LYS 30 -6.784 -3.117 -6.555 219 HG2 LYS 30 HG2 LYS 30 -5.194 -5.212 -7.979 220 HG3 LYS 30 HG1 LYS 30 -6.426 -5.590 -6.762 221 HD2 LYS 30 HD2 LYS 30 -8.116 -4.496 -8.086 222 HD3 LYS 30 HD1 LYS 30 -6.919 -3.879 -9.218 223 HE2 LYS 30 HE2 LYS 30 -6.376 -6.284 -9.722 224 HE3 LYS 30 HE1 LYS 30 -7.804 -6.716 -8.779 225 HZ1 LYS 30 HZ1 LYS 30 -8.405 -6.583 -11.128 226 HZ2 LYS 30 HZ2 LYS 30 -7.719 -5.074 -11.250 227 HZ3 LYS 30 HZ3 LYS 30 -9.124 -5.260 -10.346 228 H SER 31 HN SER 31 -6.680 -0.652 -7.894 229 HA SER 31 HA SER 31 -5.120 1.211 -6.324 230 HB2 SER 31 HB2 SER 31 -7.905 1.538 -7.396 231 HB3 SER 31 HB1 SER 31 -6.803 2.846 -6.925 232 HG SER 31 HG SER 31 -6.794 1.124 -9.133 233 H PHE 32 HN PHE 32 -5.195 0.912 -4.252 234 HA PHE 32 HA PHE 32 -6.922 -0.393 -2.619 235 HB2 PHE 32 HB2 PHE 32 -5.514 2.176 -1.936 236 HB3 PHE 32 HB1 PHE 32 -6.178 1.037 -0.793 237 HD1 PHE 32 HD2 PHE 32 -5.030 -1.108 -0.399 238 HD2 PHE 32 HD1 PHE 32 -3.361 1.852 -2.965 239 HE1 PHE 32 HE2 PHE 32 -2.872 -2.245 -0.325 240 HE2 PHE 32 HE1 PHE 32 -1.227 0.720 -2.888 241 HZ PHE 32 HZ PHE 32 -0.884 -1.155 -1.361 242 H THR 33 HN THR 33 -6.996 3.068 -3.283 243 HA THR 33 HA THR 33 -9.508 3.407 -1.925 244 HB THR 33 HB THR 33 -7.692 5.044 -1.694 245 HG1 THR 33 HG1 THR 33 -10.085 5.945 -2.892 246 HG21 THR 33 HG21 THR 33 -8.159 5.598 -4.620 247 HG22 THR 33 HG22 THR 33 -6.721 4.866 -3.909 248 HG23 THR 33 HG23 THR 33 -7.124 6.547 -3.554 249 H ASP 34 HN ASP 34 -9.442 1.831 -4.514 250 HA ASP 34 HA ASP 34 -11.792 3.092 -5.648 251 HB2 ASP 34 HB2 ASP 34 -10.030 4.231 -6.901 252 HB3 ASP 34 HB1 ASP 34 -9.345 2.692 -7.389 253 H ASP 35 HN ASP 35 -9.390 0.697 -6.568 254 HA ASP 35 HA ASP 35 -11.204 -1.188 -7.696 255 HB2 ASP 35 HB2 ASP 35 -8.334 -1.170 -6.927 256 HB3 ASP 35 HB1 ASP 35 -9.000 -2.689 -7.408 257 H LEU 36 HN LEU 36 -9.511 -0.849 -4.682 258 HA LEU 36 HA LEU 36 -10.541 -3.340 -3.595 259 HB2 LEU 36 HB2 LEU 36 -9.092 -1.128 -2.217 260 HB3 LEU 36 HB1 LEU 36 -9.303 -2.728 -1.600 261 HG LEU 36 HG LEU 36 -7.485 -1.741 -3.715 262 HD11 LEU 36 HD11 LEU 36 -7.247 -3.396 -1.259 263 HD12 LEU 36 HD12 LEU 36 -6.884 -1.689 -1.410 264 HD13 LEU 36 HD13 LEU 36 -5.881 -2.886 -2.270 265 HD21 LEU 36 HD21 LEU 36 -8.582 -3.693 -4.652 266 HD22 LEU 36 HD22 LEU 36 -8.193 -4.621 -3.192 267 HD23 LEU 36 HD23 LEU 36 -6.900 -4.019 -4.243 268 H ASP 37 HN ASP 37 -10.687 0.089 -2.840 269 HA ASP 37 HA ASP 37 -12.291 1.422 -2.242 270 HB2 ASP 37 HB2 ASP 37 -14.176 -0.083 -2.831 271 HB3 ASP 37 HB1 ASP 37 -13.909 -0.892 -1.275 272 H VAL 38 HN VAL 38 -10.402 1.610 -1.142 273 HA VAL 38 HA VAL 38 -10.812 1.374 1.745 274 HB VAL 38 HB VAL 38 -8.430 2.482 0.241 275 HG11 VAL 38 HG11 VAL 38 -8.645 3.366 2.515 276 HG12 VAL 38 HG12 VAL 38 -7.292 2.237 2.454 277 HG13 VAL 38 HG13 VAL 38 -8.826 1.738 3.160 278 HG21 VAL 38 HG21 VAL 38 -7.306 0.388 0.804 279 HG22 VAL 38 HG22 VAL 38 -8.735 0.133 -0.207 280 HG23 VAL 38 HG23 VAL 38 -8.803 -0.220 1.520 281 H ASP 39 HN ASP 39 -11.326 3.075 2.882 282 HA ASP 39 HA ASP 39 -12.806 5.138 1.725 283 HB2 ASP 39 HB2 ASP 39 -11.758 4.860 4.485 284 HB3 ASP 39 HB1 ASP 39 -13.084 5.932 3.994 285 H SER 40 HN SER 40 -9.853 5.345 1.139 286 HA SER 40 HA SER 40 -8.210 6.838 0.780 287 HB2 SER 40 HB2 SER 40 -9.675 8.015 -0.506 288 HB3 SER 40 HB1 SER 40 -10.504 8.740 0.901 289 H LEU 41 HN LEU 41 -10.043 8.323 3.454 290 HA LEU 41 HA LEU 41 -7.789 9.709 4.354 291 HB2 LEU 41 HB2 LEU 41 -9.074 10.103 6.464 292 HB3 LEU 41 HB1 LEU 41 -9.957 10.493 5.010 293 HG LEU 41 HG LEU 41 -11.005 8.107 5.357 294 HD11 LEU 41 HD11 LEU 41 -11.296 7.503 7.705 295 HD12 LEU 41 HD12 LEU 41 -10.151 8.762 8.165 296 HD13 LEU 41 HD13 LEU 41 -9.612 7.392 7.191 297 HD21 LEU 41 HD21 LEU 41 -12.803 9.114 6.680 298 HD22 LEU 41 HD22 LEU 41 -12.255 10.178 5.382 299 HD23 LEU 41 HD23 LEU 41 -11.753 10.483 7.044 300 H SER 42 HN SER 42 -8.985 6.550 4.894 301 HA SER 42 HA SER 42 -7.481 5.688 7.108 302 HB2 SER 42 HB2 SER 42 -8.497 4.068 4.852 303 HB3 SER 42 HB1 SER 42 -8.483 3.662 6.578 304 HG SER 42 HG SER 42 -10.177 4.941 6.926 305 H MET 43 HN MET 43 -6.831 6.149 3.758 306 HA MET 43 HA MET 43 -5.125 4.019 3.154 307 HB2 MET 43 HB2 MET 43 -5.467 6.723 1.951 308 HB3 MET 43 HB1 MET 43 -4.321 5.551 1.335 309 HG2 MET 43 HG2 MET 43 -7.178 4.781 1.651 310 HG3 MET 43 HG1 MET 43 -6.659 5.807 0.307 311 HE1 MET 43 HE1 MET 43 -4.228 3.049 1.784 312 HE2 MET 43 HE2 MET 43 -4.775 1.614 0.903 313 HE3 MET 43 HE3 MET 43 -5.815 2.365 2.115 314 H VAL 44 HN VAL 44 -4.496 7.272 4.262 315 HA VAL 44 HA VAL 44 -1.773 7.174 3.948 316 HB VAL 44 HB VAL 44 -3.311 8.744 6.046 317 HG11 VAL 44 HG11 VAL 44 -1.383 10.267 6.078 318 HG12 VAL 44 HG12 VAL 44 -0.514 9.190 4.983 319 HG13 VAL 44 HG13 VAL 44 -0.926 8.647 6.609 320 HG21 VAL 44 HG21 VAL 44 -4.034 9.139 3.760 321 HG22 VAL 44 HG22 VAL 44 -2.367 9.493 3.284 322 HG23 VAL 44 HG23 VAL 44 -3.210 10.560 4.410 323 H GLU 45 HN GLU 45 -3.812 6.033 6.632 324 HA GLU 45 HA GLU 45 -1.832 5.383 8.554 325 HB2 GLU 45 HB2 GLU 45 -4.449 3.993 7.983 326 HB3 GLU 45 HB1 GLU 45 -3.507 3.848 9.450 327 HG2 GLU 45 HG2 GLU 45 -4.837 6.370 8.496 328 HG3 GLU 45 HG1 GLU 45 -5.485 5.188 9.642 329 H VAL 46 HN VAL 46 -3.390 3.639 5.938 330 HA VAL 46 HA VAL 46 -2.263 1.092 6.262 331 HB VAL 46 HB VAL 46 -3.229 2.392 3.694 332 HG11 VAL 46 HG11 VAL 46 -1.999 0.377 3.240 333 HG12 VAL 46 HG12 VAL 46 -3.718 0.134 2.926 334 HG13 VAL 46 HG13 VAL 46 -2.987 -0.515 4.396 335 HG21 VAL 46 HG21 VAL 46 -4.788 0.827 5.748 336 HG22 VAL 46 HG22 VAL 46 -5.386 1.289 4.154 337 HG23 VAL 46 HG23 VAL 46 -4.982 2.535 5.327 338 H VAL 47 HN VAL 47 -0.999 3.951 5.004 339 HA VAL 47 HA VAL 47 1.039 2.796 3.233 340 HB VAL 47 HB VAL 47 0.912 5.614 4.354 341 HG11 VAL 47 HG11 VAL 47 2.315 6.187 2.434 342 HG12 VAL 47 HG12 VAL 47 2.359 4.484 1.974 343 HG13 VAL 47 HG13 VAL 47 3.080 5.006 3.497 344 HG21 VAL 47 HG21 VAL 47 -1.120 5.184 3.111 345 HG22 VAL 47 HG22 VAL 47 -0.175 4.614 1.736 346 HG23 VAL 47 HG23 VAL 47 -0.077 6.304 2.237 347 H VAL 48 HN VAL 48 0.962 4.663 6.197 348 HA VAL 48 HA VAL 48 3.630 4.340 6.888 349 HB VAL 48 HB VAL 48 1.239 4.668 8.736 350 HG11 VAL 48 HG11 VAL 48 4.161 5.278 9.207 351 HG12 VAL 48 HG12 VAL 48 3.238 3.970 9.949 352 HG13 VAL 48 HG13 VAL 48 2.841 5.649 10.318 353 HG21 VAL 48 HG21 VAL 48 3.012 6.741 7.443 354 HG22 VAL 48 HG22 VAL 48 1.752 7.077 8.631 355 HG23 VAL 48 HG23 VAL 48 1.326 6.424 7.048 356 H ALA 49 HN ALA 49 0.763 2.300 7.503 357 HA ALA 49 HA ALA 49 2.019 0.676 9.293 358 HB1 ALA 49 HB1 ALA 49 -0.356 0.084 7.550 359 HB2 ALA 49 HB2 ALA 49 -0.382 0.806 9.159 360 HB3 ALA 49 HB3 ALA 49 0.139 -0.867 8.950 361 H ALA 50 HN ALA 50 1.718 0.678 5.833 362 HA ALA 50 HA ALA 50 2.754 -1.888 5.327 363 HB1 ALA 50 HB1 ALA 50 3.060 -1.006 2.986 364 HB2 ALA 50 HB2 ALA 50 2.504 0.578 3.549 365 HB3 ALA 50 HB3 ALA 50 1.443 -0.797 3.612 366 H GLU 51 HN GLU 51 4.230 1.348 5.113 367 HA GLU 51 HA GLU 51 6.747 0.249 4.544 368 HB2 GLU 51 HB2 GLU 51 7.644 2.575 4.990 369 HB3 GLU 51 HB1 GLU 51 6.480 2.381 3.703 370 HG2 GLU 51 HG2 GLU 51 5.604 4.120 4.522 371 HG3 GLU 51 HG1 GLU 51 4.864 3.121 5.761 372 H GLU 52 HN GLU 52 5.340 1.101 7.627 373 HA GLU 52 HA GLU 52 7.625 0.727 9.180 374 HB2 GLU 52 HB2 GLU 52 4.733 0.123 9.751 375 HB3 GLU 52 HB1 GLU 52 5.991 -0.093 10.976 376 HG2 GLU 52 HG2 GLU 52 6.498 2.319 10.738 377 HG3 GLU 52 HG1 GLU 52 5.151 2.445 9.603 378 H ARG 53 HN ARG 53 5.219 -1.678 8.169 379 HA ARG 53 HA ARG 53 6.528 -3.869 9.385 380 HB2 ARG 53 HB2 ARG 53 4.172 -4.010 8.872 381 HB3 ARG 53 HB1 ARG 53 4.493 -3.813 7.152 382 HG2 ARG 53 HG2 ARG 53 5.758 -5.939 7.189 383 HG3 ARG 53 HG1 ARG 53 5.299 -6.147 8.875 384 HD2 ARG 53 HD2 ARG 53 2.964 -6.376 8.266 385 HD3 ARG 53 HD1 ARG 53 3.323 -5.843 6.630 386 HE ARG 53 HE ARG 53 4.890 -7.968 6.849 387 HH11 ARG 53 HH11 ARG 53 1.503 -7.717 7.859 388 HH12 ARG 53 HH12 ARG 53 1.016 -9.190 7.146 389 HH21 ARG 53 HH21 ARG 53 4.241 -10.074 5.934 390 HH22 ARG 53 HH22 ARG 53 2.617 -10.560 6.086 391 H PHE 54 HN PHE 54 6.583 -2.681 6.033 392 HA PHE 54 HA PHE 54 8.193 -4.940 5.204 393 HB2 PHE 54 HB2 PHE 54 7.393 -2.553 3.566 394 HB3 PHE 54 HB1 PHE 54 7.958 -4.092 2.940 395 HD1 PHE 54 HD2 PHE 54 6.487 -5.948 4.597 396 HD2 PHE 54 HD1 PHE 54 5.204 -2.341 2.786 397 HE1 PHE 54 HE2 PHE 54 4.251 -6.825 4.473 398 HE2 PHE 54 HE1 PHE 54 2.906 -3.234 2.656 399 HZ PHE 54 HZ PHE 54 2.325 -5.180 3.718 400 H ASP 55 HN ASP 55 8.782 -1.998 6.436 401 HA ASP 55 HA ASP 55 10.717 -1.050 7.195 402 HB2 ASP 55 HB2 ASP 55 12.094 -3.211 5.683 403 HB3 ASP 55 HB1 ASP 55 13.025 -1.814 6.191 404 H VAL 56 HN VAL 56 9.522 -0.530 4.262 405 HA VAL 56 HA VAL 56 11.688 1.179 3.400 406 HB VAL 56 HB VAL 56 10.165 0.032 1.785 407 HG11 VAL 56 HG11 VAL 56 7.925 0.858 1.410 408 HG12 VAL 56 HG12 VAL 56 8.081 1.873 2.850 409 HG13 VAL 56 HG13 VAL 56 8.142 0.113 2.995 410 HG21 VAL 56 HG21 VAL 56 9.734 1.889 0.270 411 HG22 VAL 56 HG22 VAL 56 11.330 2.019 1.022 412 HG23 VAL 56 HG23 VAL 56 10.000 3.030 1.588 413 H LYS 57 HN LYS 57 11.113 3.606 3.062 414 HA LYS 57 HA LYS 57 9.253 4.528 5.151 415 HB2 LYS 57 HB2 LYS 57 11.642 5.220 5.601 416 HB3 LYS 57 HB1 LYS 57 11.644 6.067 4.056 417 HG2 LYS 57 HG2 LYS 57 11.239 7.677 5.786 418 HG3 LYS 57 HG1 LYS 57 9.740 7.451 4.880 419 HD2 LYS 57 HD2 LYS 57 9.203 5.675 6.692 420 HD3 LYS 57 HD1 LYS 57 10.453 6.489 7.627 421 HE2 LYS 57 HE2 LYS 57 7.932 7.726 6.522 422 HE3 LYS 57 HE1 LYS 57 8.250 7.335 8.204 423 HZ1 LYS 57 HZ1 LYS 57 9.641 9.379 6.565 424 HZ2 LYS 57 HZ2 LYS 57 10.013 9.011 8.202 425 HZ3 LYS 57 HZ3 LYS 57 8.503 9.636 7.770 426 H ILE 58 HN ILE 58 7.548 5.679 4.379 427 HA ILE 58 HA ILE 58 7.784 6.428 1.571 428 HB ILE 58 HB ILE 58 5.232 5.524 2.940 429 HG12 ILE 58 HG12 ILE 58 6.936 4.176 0.828 430 HG13 ILE 58 HG11 ILE 58 6.873 3.710 2.521 431 HG21 ILE 58 HG21 ILE 58 5.781 6.266 0.052 432 HG22 ILE 58 HG22 ILE 58 4.824 7.206 1.194 433 HG23 ILE 58 HG23 ILE 58 4.260 5.622 0.673 434 HD11 ILE 58 HD11 ILE 58 4.594 3.590 0.562 435 HD12 ILE 58 HD12 ILE 58 4.524 3.110 2.258 436 HD13 ILE 58 HD13 ILE 58 5.555 2.226 1.133 437 HA PRO 59 HA PRO 59 7.099 10.576 3.311 438 HB2 PRO 59 HB2 PRO 59 7.497 11.826 0.942 439 HB3 PRO 59 HB1 PRO 59 8.851 11.289 1.965 440 HG2 PRO 59 HG2 PRO 59 7.567 9.959 -0.386 441 HG3 PRO 59 HG1 PRO 59 9.309 10.193 -0.067 442 HD2 PRO 59 HD2 PRO 59 8.135 7.849 0.422 443 HD3 PRO 59 HD1 PRO 59 9.336 8.505 1.556 444 H ASP 60 HN ASP 60 5.504 12.165 2.907 445 HA ASP 60 HA ASP 60 2.956 11.313 2.142 446 HB2 ASP 60 HB2 ASP 60 4.045 14.133 2.290 447 HB3 ASP 60 HB1 ASP 60 2.342 13.719 2.181 448 H ASP 61 HN ASP 61 5.480 12.888 0.390 449 HA ASP 61 HA ASP 61 4.078 13.599 -1.947 450 HB2 ASP 61 HB2 ASP 61 6.983 12.851 -1.654 451 HB3 ASP 61 HB1 ASP 61 6.281 13.586 -3.082 452 H ASP 62 HN ASP 62 5.658 10.596 -1.000 453 HA ASP 62 HA ASP 62 4.921 9.490 -3.556 454 HB2 ASP 62 HB2 ASP 62 6.552 8.326 -1.332 455 HB3 ASP 62 HB1 ASP 62 5.955 7.330 -2.656 456 H VAL 63 HN VAL 63 3.733 9.470 -0.336 457 HA VAL 63 HA VAL 63 1.973 7.317 -0.430 458 HB VAL 63 HB VAL 63 1.498 10.091 0.773 459 HG11 VAL 63 HG11 VAL 63 -0.152 9.026 2.223 460 HG12 VAL 63 HG12 VAL 63 0.072 7.506 1.353 461 HG13 VAL 63 HG13 VAL 63 -0.604 8.904 0.521 462 HG21 VAL 63 HG21 VAL 63 2.489 7.557 2.063 463 HG22 VAL 63 HG22 VAL 63 2.156 9.076 2.895 464 HG23 VAL 63 HG23 VAL 63 3.455 8.987 1.705 465 H LYS 64 HN LYS 64 1.697 10.559 -1.727 466 HA LYS 64 HA LYS 64 -0.917 10.106 -2.851 467 HB2 LYS 64 HB2 LYS 64 -0.724 12.351 -3.806 468 HB3 LYS 64 HB1 LYS 64 -0.287 12.346 -2.106 469 HG2 LYS 64 HG2 LYS 64 2.103 12.307 -2.789 470 HG3 LYS 64 HG1 LYS 64 1.577 12.472 -4.462 471 HD2 LYS 64 HD2 LYS 64 1.059 14.418 -2.219 472 HD3 LYS 64 HD1 LYS 64 2.247 14.609 -3.496 473 HE2 LYS 64 HE2 LYS 64 -0.742 14.393 -3.942 474 HE3 LYS 64 HE1 LYS 64 0.165 15.904 -3.910 475 HZ1 LYS 64 HZ1 LYS 64 1.289 15.334 -5.884 476 HZ2 LYS 64 HZ2 LYS 64 -0.342 14.902 -6.170 477 HZ3 LYS 64 HZ3 LYS 64 0.785 13.729 -5.857 478 H ASN 65 HN ASN 65 2.071 9.000 -3.842 479 HA ASN 65 HA ASN 65 1.556 9.251 -6.685 480 HB2 ASN 65 HB2 ASN 65 3.812 8.225 -5.048 481 HB3 ASN 65 HB1 ASN 65 3.701 7.907 -6.756 482 HD21 ASN 65 HD21 ASN 65 5.801 9.465 -5.405 483 HD22 ASN 65 HD22 ASN 65 5.705 11.020 -6.133 484 H LEU 66 HN LEU 66 1.347 7.119 -4.027 485 HA LEU 66 HA LEU 66 1.147 4.797 -5.714 486 HB2 LEU 66 HB2 LEU 66 0.646 4.984 -2.748 487 HB3 LEU 66 HB1 LEU 66 1.008 3.557 -3.687 488 HG LEU 66 HG LEU 66 2.898 5.749 -2.863 489 HD11 LEU 66 HD11 LEU 66 2.408 4.180 -1.149 490 HD12 LEU 66 HD12 LEU 66 4.070 3.883 -1.722 491 HD13 LEU 66 HD13 LEU 66 2.762 2.826 -2.203 492 HD21 LEU 66 HD21 LEU 66 4.675 4.505 -4.008 493 HD22 LEU 66 HD22 LEU 66 3.460 5.083 -5.148 494 HD23 LEU 66 HD23 LEU 66 3.473 3.390 -4.659 495 H LYS 67 HN LYS 67 -0.711 4.378 -6.539 496 HA LYS 67 HA LYS 67 -3.106 5.086 -4.965 497 HB2 LYS 67 HB2 LYS 67 -3.199 4.819 -8.007 498 HB3 LYS 67 HB1 LYS 67 -4.499 5.306 -6.940 499 HG2 LYS 67 HG2 LYS 67 -3.827 7.271 -7.973 500 HG3 LYS 67 HG1 LYS 67 -3.067 7.338 -6.379 501 HD2 LYS 67 HD2 LYS 67 -0.977 6.565 -7.328 502 HD3 LYS 67 HD1 LYS 67 -1.730 6.413 -8.914 503 HE2 LYS 67 HE2 LYS 67 -2.139 8.834 -8.923 504 HE3 LYS 67 HE1 LYS 67 -1.338 8.960 -7.353 505 HZ1 LYS 67 HZ1 LYS 67 -0.064 7.959 -9.840 506 HZ2 LYS 67 HZ2 LYS 67 0.683 8.097 -8.363 507 HZ3 LYS 67 HZ3 LYS 67 0.173 9.501 -9.189 508 H THR 68 HN THR 68 -1.504 2.696 -7.007 509 HA THR 68 HA THR 68 -3.503 0.765 -6.165 510 HB THR 68 HB THR 68 -2.702 -0.673 -7.892 511 HG1 THR 68 HG1 THR 68 -0.820 1.371 -8.550 512 HG21 THR 68 HG21 THR 68 -3.164 0.615 -9.947 513 HG22 THR 68 HG22 THR 68 -2.988 2.115 -9.035 514 HG23 THR 68 HG23 THR 68 -4.308 1.005 -8.663 515 H VAL 69 HN VAL 69 -2.434 -1.471 -5.779 516 HA VAL 69 HA VAL 69 -0.279 -0.931 -4.015 517 HB VAL 69 HB VAL 69 -1.018 -2.659 -2.845 518 HG11 VAL 69 HG11 VAL 69 -2.968 -3.182 -5.042 519 HG12 VAL 69 HG12 VAL 69 -3.155 -2.087 -3.681 520 HG13 VAL 69 HG13 VAL 69 -3.073 -3.837 -3.404 521 HG21 VAL 69 HG21 VAL 69 0.538 -4.125 -3.983 522 HG22 VAL 69 HG22 VAL 69 -0.640 -4.448 -5.258 523 HG23 VAL 69 HG23 VAL 69 -0.941 -5.012 -3.610 524 H GLY 70 HN GLY 70 -0.650 -1.539 -7.195 525 HA2 GLY 70 HA2 GLY 70 1.759 -3.000 -7.714 526 HA3 GLY 70 HA1 GLY 70 0.915 -1.975 -8.881 527 H ASP 71 HN ASP 71 0.871 0.398 -7.578 528 HA ASP 71 HA ASP 71 3.406 1.570 -7.977 529 HB2 ASP 71 HB2 ASP 71 1.155 2.547 -6.199 530 HB3 ASP 71 HB1 ASP 71 2.512 3.510 -6.730 531 H ALA 72 HN ALA 72 1.603 0.900 -5.082 532 HA ALA 72 HA ALA 72 3.310 1.778 -3.069 533 HB1 ALA 72 HB1 ALA 72 1.531 -0.635 -2.905 534 HB2 ALA 72 HB2 ALA 72 0.952 1.026 -2.719 535 HB3 ALA 72 HB3 ALA 72 2.109 0.334 -1.571 536 H THR 73 HN THR 73 2.866 -1.526 -4.015 537 HA THR 73 HA THR 73 4.753 -2.579 -2.420 538 HB THR 73 HB THR 73 3.841 -3.604 -5.083 539 HG1 THR 73 HG1 THR 73 2.070 -3.453 -3.974 540 HG21 THR 73 HG21 THR 73 5.772 -4.712 -4.216 541 HG22 THR 73 HG22 THR 73 4.336 -5.770 -4.062 542 HG23 THR 73 HG23 THR 73 4.973 -4.867 -2.656 543 H LYS 74 HN LYS 74 5.040 -1.592 -5.786 544 HA LYS 74 HA LYS 74 7.621 -2.377 -6.276 545 HB2 LYS 74 HB2 LYS 74 6.201 -1.743 -8.090 546 HB3 LYS 74 HB1 LYS 74 5.806 -0.259 -7.257 547 HG2 LYS 74 HG2 LYS 74 8.638 -0.541 -8.008 548 HG3 LYS 74 HG1 LYS 74 7.502 -0.409 -9.353 549 HD2 LYS 74 HD2 LYS 74 7.371 1.427 -7.023 550 HD3 LYS 74 HD1 LYS 74 8.476 1.805 -8.387 551 HE2 LYS 74 HE2 LYS 74 6.386 1.587 -9.812 552 HE3 LYS 74 HE1 LYS 74 5.476 1.512 -8.307 553 HZ1 LYS 74 HZ1 LYS 74 7.219 3.751 -9.161 554 HZ2 LYS 74 HZ2 LYS 74 6.356 3.715 -7.735 555 HZ3 LYS 74 HZ3 LYS 74 5.535 3.751 -9.219 556 H TYR 75 HN TYR 75 6.285 0.678 -5.135 557 HA TYR 75 HA TYR 75 8.597 2.158 -4.882 558 HB2 TYR 75 HB2 TYR 75 6.224 2.946 -4.638 559 HB3 TYR 75 HB1 TYR 75 6.224 2.192 -3.081 560 HD1 TYR 75 HD1 TYR 75 8.443 4.559 -4.887 561 HD2 TYR 75 HD2 TYR 75 6.655 3.388 -1.238 562 HE1 TYR 75 HE1 TYR 75 9.364 6.518 -3.835 563 HE2 TYR 75 HE2 TYR 75 7.574 5.352 -0.142 564 HH TYR 75 HH TYR 75 9.495 6.858 -0.493 565 H ILE 76 HN ILE 76 6.934 0.249 -2.520 566 HA ILE 76 HA ILE 76 8.498 0.585 -0.284 567 HB ILE 76 HB ILE 76 6.825 -1.743 -1.238 568 HG12 ILE 76 HG12 ILE 76 6.242 0.239 0.920 569 HG13 ILE 76 HG11 ILE 76 5.887 0.566 -0.773 570 HG21 ILE 76 HG21 ILE 76 8.045 -1.303 1.485 571 HG22 ILE 76 HG22 ILE 76 8.345 -2.659 0.379 572 HG23 ILE 76 HG23 ILE 76 6.766 -2.460 1.127 573 HD11 ILE 76 HD11 ILE 76 4.825 -1.732 0.860 574 HD12 ILE 76 HD12 ILE 76 4.501 -1.400 -0.847 575 HD13 ILE 76 HD13 ILE 76 3.930 -0.272 0.384 576 H LEU 77 HN LEU 77 8.558 -2.230 -2.466 577 HA LEU 77 HA LEU 77 10.755 -3.449 -1.396 578 HB2 LEU 77 HB2 LEU 77 9.011 -4.386 -2.896 579 HB3 LEU 77 HB1 LEU 77 9.663 -3.464 -4.207 580 HG LEU 77 HG LEU 77 11.035 -5.815 -2.883 581 HD11 LEU 77 HD11 LEU 77 9.025 -6.407 -4.016 582 HD12 LEU 77 HD12 LEU 77 10.409 -6.916 -5.011 583 HD13 LEU 77 HD13 LEU 77 9.492 -5.444 -5.410 584 HD21 LEU 77 HD21 LEU 77 11.706 -4.336 -5.447 585 HD22 LEU 77 HD22 LEU 77 12.538 -5.764 -4.816 586 HD23 LEU 77 HD23 LEU 77 12.619 -4.231 -3.941 587 H ASP 78 HN ASP 78 10.411 -1.167 -4.065 588 HA ASP 78 HA ASP 78 12.985 -1.355 -5.172 589 HB2 ASP 78 HB2 ASP 78 11.313 -0.558 -6.549 590 HB3 ASP 78 HB1 ASP 78 10.731 0.659 -5.455 591 H HIS 79 HN HIS 79 11.778 0.324 -2.498 592 HA HIS 79 HA HIS 79 14.215 1.876 -2.364 593 HB2 HIS 79 HB2 HIS 79 11.551 2.194 -1.154 594 HB3 HIS 79 HB1 HIS 79 12.926 2.872 -0.290 595 HD1 HIS 79 HD1 HIS 79 12.517 5.352 -0.744 596 HD2 HIS 79 HD2 HIS 79 12.338 3.041 -4.198 597 HE1 HIS 79 HE1 HIS 79 12.421 6.968 -2.626 598 HE2 HIS 79 HE2 HIS 79 11.877 5.540 -4.608 599 H GLN 80 HN GLN 80 12.714 -0.885 -0.761 600 HA GLN 80 HA GLN 80 14.917 -0.635 1.046 601 HB2 GLN 80 HB2 GLN 80 13.724 -2.408 2.493 602 HB3 GLN 80 HB1 GLN 80 13.306 -0.714 2.581 603 HG2 GLN 80 HG2 GLN 80 11.196 -1.639 2.495 604 HG3 GLN 80 HG1 GLN 80 11.526 -1.443 0.799 605 HE21 GLN 80 HE21 GLN 80 9.997 -2.904 0.472 606 HE22 GLN 80 HE22 GLN 80 10.340 -4.612 0.529 607 H ALA 81 HN ALA 81 13.559 -3.624 0.574 608 HA ALA 81 HA ALA 81 16.233 -4.437 -0.154 609 HB1 ALA 81 HB1 ALA 81 15.507 -5.375 1.962 610 HB2 ALA 81 HB2 ALA 81 15.774 -6.656 0.781 611 HB3 ALA 81 HB3 ALA 81 14.132 -6.142 1.169 612 H1 SYO 101 H1A SYO 101 -1.997 6.728 0.263 613 H1A SYO 101 H1B SYO 101 -2.230 7.493 -1.327 614 H2 SYO 101 H2A SYO 101 -4.082 5.835 -1.699 615 H2A SYO 101 H2B SYO 101 -3.771 5.187 -0.110 616 H4 SYO 101 H4A SYO 101 -0.916 5.303 -0.131 617 H4A SYO 101 H4B SYO 101 -0.241 4.578 -1.596 618 H5 SYO 101 H5A SYO 101 -1.397 2.427 -0.745 619 H5A SYO 101 H5B SYO 101 -1.429 3.271 0.810 620 H6 SYO 101 H6A SYO 101 0.967 3.653 0.621 621 H6A SYO 101 H6B SYO 101 0.981 2.757 -0.896 622 H7 SYO 101 H7A SYO 101 0.239 0.759 0.255 623 H7A SYO 101 H7B SYO 101 0.216 1.664 1.787 624 H8 SYO 101 H8C SYO 101 2.585 2.150 1.496 625 H8A SYO 101 H8A SYO 101 2.582 1.259 -0.023 626 H8B SYO 101 H8B SYO 101 2.292 0.410 1.494 627 H28 SYO 101 H28A SYO 101 -7.475 12.173 -1.197 628 H28A SYO 101 H28B SYO 101 -7.579 10.457 -1.489 629 H30 SYO 101 H30A SYO 101 -10.366 12.160 -2.745 630 H30A SYO 101 H30B SYO 101 -9.752 12.694 -4.316 631 H30B SYO 101 H30C SYO 101 -9.225 13.503 -2.827 632 H31 SYO 101 H31A SYO 101 -6.339 11.374 -3.712 633 H31A SYO 101 H31B SYO 101 -6.826 13.047 -3.415 634 H31B SYO 101 H31C SYO 101 -7.329 12.218 -4.900 635 H32 SYO 101 H32A SYO 101 -9.316 9.604 -2.997 636 HO33 SYO 101 H33A SYO 101 -9.920 9.411 -5.094 637 HN36 SYO 101 H36A SYO 101 -6.966 9.534 -2.300 638 H37 SYO 101 H37A SYO 101 -5.237 7.868 -2.324 639 H37A SYO 101 H37B SYO 101 -5.769 7.454 -3.924 640 H38 SYO 101 H38A SYO 101 -3.642 8.263 -4.182 641 H38A SYO 101 H38B SYO 101 -4.690 9.545 -4.869 642 HN41 SYO 101 H41A SYO 101 -3.752 8.702 -1.622 643 H42 SYO 101 H42A SYO 101 -1.622 9.816 -0.967 644 H42A SYO 101 H42B SYO 101 -2.670 11.272 -0.935 645 H43 SYO 101 H43A SYO 101 -3.920 10.350 0.764 646 H43A SYO 101 H43B SYO 101 -2.369 9.567 1.194 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 13.402 -5.732 5.966 2 H2 ALA 1 HT2 ALA 1 12.195 -4.986 5.133 3 H3 ALA 1 HT3 ALA 1 13.720 -4.216 5.246 4 HA ALA 1 HA ALA 1 13.531 -5.202 3.083 5 HB1 ALA 1 HB1 ALA 1 15.276 -6.911 3.169 6 HB2 ALA 1 HB2 ALA 1 15.088 -7.018 4.920 7 HB3 ALA 1 HB3 ALA 1 15.685 -5.530 4.184 8 H ALA 2 HN ALA 2 11.759 -6.125 2.187 9 HA ALA 2 HA ALA 2 11.063 -8.821 2.737 10 HB1 ALA 2 HB1 ALA 2 9.899 -7.619 4.535 11 HB2 ALA 2 HB2 ALA 2 8.763 -8.251 3.356 12 HB3 ALA 2 HB3 ALA 2 9.177 -6.533 3.349 13 H THR 3 HN THR 3 10.157 -9.576 0.838 14 HA THR 3 HA THR 3 10.174 -7.592 -1.313 15 HB THR 3 HB THR 3 11.534 -9.712 -1.578 16 HG1 THR 3 HG1 THR 3 11.243 -8.729 -3.372 17 HG21 THR 3 HG21 THR 3 10.358 -11.757 -2.306 18 HG22 THR 3 HG22 THR 3 8.813 -10.978 -1.967 19 HG23 THR 3 HG23 THR 3 9.933 -11.323 -0.650 20 H GLN 4 HN GLN 4 8.593 -8.378 -3.159 21 HA GLN 4 HA GLN 4 6.129 -7.310 -2.564 22 HB2 GLN 4 HB2 GLN 4 6.898 -7.583 -4.849 23 HB3 GLN 4 HB1 GLN 4 6.679 -9.318 -4.742 24 HG2 GLN 4 HG2 GLN 4 4.323 -7.625 -4.207 25 HG3 GLN 4 HG1 GLN 4 4.901 -7.646 -5.851 26 HE21 GLN 4 HE21 GLN 4 3.278 -9.419 -3.322 27 HE22 GLN 4 HE22 GLN 4 2.783 -10.752 -4.275 28 H GLU 5 HN GLU 5 6.859 -10.769 -2.536 29 HA GLU 5 HA GLU 5 4.342 -11.761 -1.954 30 HB2 GLU 5 HB2 GLU 5 7.021 -12.706 -0.971 31 HB3 GLU 5 HB1 GLU 5 5.527 -13.599 -0.739 32 HG2 GLU 5 HG2 GLU 5 5.256 -13.743 -3.164 33 HG3 GLU 5 HG1 GLU 5 6.780 -12.875 -3.371 34 H GLU 6 HN GLU 6 6.632 -10.224 0.187 35 HA GLU 6 HA GLU 6 5.036 -10.753 2.521 36 HB2 GLU 6 HB2 GLU 6 7.643 -10.660 2.483 37 HB3 GLU 6 HB1 GLU 6 7.457 -8.986 2.210 38 HG2 GLU 6 HG2 GLU 6 7.880 -9.563 4.569 39 HG3 GLU 6 HG1 GLU 6 6.426 -8.603 4.310 40 H ILE 7 HN ILE 7 5.668 -8.142 0.209 41 HA ILE 7 HA ILE 7 4.725 -6.013 1.828 42 HB ILE 7 HB ILE 7 5.021 -6.238 -1.174 43 HG12 ILE 7 HG12 ILE 7 6.813 -4.920 0.864 44 HG13 ILE 7 HG11 ILE 7 7.082 -6.533 0.212 45 HG21 ILE 7 HG21 ILE 7 4.639 -3.796 0.571 46 HG22 ILE 7 HG22 ILE 7 3.461 -4.456 -0.564 47 HG23 ILE 7 HG23 ILE 7 4.975 -3.780 -1.163 48 HD11 ILE 7 HD11 ILE 7 8.467 -4.888 -0.908 49 HD12 ILE 7 HD12 ILE 7 7.028 -3.973 -1.362 50 HD13 ILE 7 HD13 ILE 7 7.293 -5.585 -2.024 51 H VAL 8 HN VAL 8 3.320 -7.331 -1.126 52 HA VAL 8 HA VAL 8 0.791 -6.218 -0.785 53 HB VAL 8 HB VAL 8 1.473 -8.766 -2.274 54 HG11 VAL 8 HG11 VAL 8 -0.474 -8.256 -3.659 55 HG12 VAL 8 HG12 VAL 8 -0.832 -6.857 -2.647 56 HG13 VAL 8 HG13 VAL 8 -0.934 -8.483 -1.971 57 HG21 VAL 8 HG21 VAL 8 2.884 -6.944 -2.969 58 HG22 VAL 8 HG22 VAL 8 1.489 -5.903 -3.180 59 HG23 VAL 8 HG23 VAL 8 1.709 -7.308 -4.236 60 H ALA 9 HN ALA 9 1.896 -9.360 0.362 61 HA ALA 9 HA ALA 9 -0.609 -10.200 1.238 62 HB1 ALA 9 HB1 ALA 9 2.080 -10.856 2.443 63 HB2 ALA 9 HB2 ALA 9 1.301 -11.714 1.112 64 HB3 ALA 9 HB3 ALA 9 0.582 -11.747 2.724 65 H GLY 10 HN GLY 10 1.909 -8.234 2.815 66 HA2 GLY 10 HA2 GLY 10 0.519 -8.182 5.235 67 HA3 GLY 10 HA1 GLY 10 1.975 -7.261 4.853 68 H LEU 11 HN LEU 11 0.910 -6.024 2.554 69 HA LEU 11 HA LEU 11 -0.247 -3.773 3.710 70 HB2 LEU 11 HB2 LEU 11 0.968 -4.516 1.349 71 HB3 LEU 11 HB1 LEU 11 -0.668 -4.174 0.869 72 HG LEU 11 HG LEU 11 1.145 -2.241 2.326 73 HD11 LEU 11 HD11 LEU 11 1.899 -2.695 0.053 74 HD12 LEU 11 HD12 LEU 11 1.230 -1.069 0.185 75 HD13 LEU 11 HD13 LEU 11 0.280 -2.352 -0.560 76 HD21 LEU 11 HD21 LEU 11 -1.210 -1.877 2.813 77 HD22 LEU 11 HD22 LEU 11 -1.575 -1.855 1.090 78 HD23 LEU 11 HD23 LEU 11 -0.571 -0.591 1.795 79 H ALA 12 HN ALA 12 -1.506 -6.536 1.901 80 HA ALA 12 HA ALA 12 -4.169 -5.766 1.669 81 HB1 ALA 12 HB1 ALA 12 -4.677 -8.136 1.548 82 HB2 ALA 12 HB2 ALA 12 -3.058 -8.527 2.126 83 HB3 ALA 12 HB3 ALA 12 -3.272 -7.743 0.551 84 H GLU 13 HN GLU 13 -2.484 -7.533 4.260 85 HA GLU 13 HA GLU 13 -4.733 -7.867 5.874 86 HB2 GLU 13 HB2 GLU 13 -1.851 -7.761 6.727 87 HB3 GLU 13 HB1 GLU 13 -3.185 -8.309 7.732 88 HG2 GLU 13 HG2 GLU 13 -3.660 -10.047 6.055 89 HG3 GLU 13 HG1 GLU 13 -2.207 -9.561 5.190 90 H ILE 14 HN ILE 14 -2.424 -5.316 5.760 91 HA ILE 14 HA ILE 14 -3.389 -3.828 7.945 92 HB ILE 14 HB ILE 14 -2.188 -2.814 5.348 93 HG12 ILE 14 HG12 ILE 14 -0.803 -3.212 7.988 94 HG13 ILE 14 HG11 ILE 14 -0.909 -4.500 6.797 95 HG21 ILE 14 HG21 ILE 14 -2.446 -1.484 8.053 96 HG22 ILE 14 HG22 ILE 14 -3.344 -1.047 6.598 97 HG23 ILE 14 HG23 ILE 14 -1.594 -0.823 6.656 98 HD11 ILE 14 HD11 ILE 14 0.211 -3.135 5.194 99 HD12 ILE 14 HD12 ILE 14 1.185 -3.356 6.650 100 HD13 ILE 14 HD13 ILE 14 0.354 -1.813 6.360 101 H VAL 15 HN VAL 15 -4.452 -3.975 4.572 102 HA VAL 15 HA VAL 15 -6.314 -1.813 4.819 103 HB VAL 15 HB VAL 15 -6.208 -3.948 2.645 104 HG11 VAL 15 HG11 VAL 15 -8.343 -2.782 2.708 105 HG12 VAL 15 HG12 VAL 15 -7.418 -2.330 1.276 106 HG13 VAL 15 HG13 VAL 15 -7.510 -1.230 2.654 107 HG21 VAL 15 HG21 VAL 15 -5.027 -2.311 1.324 108 HG22 VAL 15 HG22 VAL 15 -4.143 -2.715 2.807 109 HG23 VAL 15 HG23 VAL 15 -5.043 -1.191 2.694 110 H ASN 16 HN ASN 16 -6.343 -5.133 5.417 111 HA ASN 16 HA ASN 16 -9.193 -5.573 5.502 112 HB2 ASN 16 HB2 ASN 16 -7.300 -7.047 7.377 113 HB3 ASN 16 HB1 ASN 16 -8.835 -7.549 6.727 114 HD21 ASN 16 HD21 ASN 16 -8.187 -6.922 4.089 115 HD22 ASN 16 HD22 ASN 16 -6.963 -8.090 3.590 116 H GLU 17 HN GLU 17 -6.760 -4.792 7.918 117 HA GLU 17 HA GLU 17 -8.516 -4.597 10.130 118 HB2 GLU 17 HB2 GLU 17 -5.774 -3.401 9.766 119 HB3 GLU 17 HB1 GLU 17 -6.615 -3.625 11.292 120 HG2 GLU 17 HG2 GLU 17 -5.667 -5.789 9.435 121 HG3 GLU 17 HG1 GLU 17 -4.919 -5.324 10.966 122 H ILE 18 HN ILE 18 -7.067 -2.213 7.995 123 HA ILE 18 HA ILE 18 -8.046 0.079 9.388 124 HB ILE 18 HB ILE 18 -6.981 -0.276 6.590 125 HG12 ILE 18 HG12 ILE 18 -5.462 -0.736 8.568 126 HG13 ILE 18 HG11 ILE 18 -4.864 0.427 7.407 127 HG21 ILE 18 HG21 ILE 18 -8.370 1.694 6.643 128 HG22 ILE 18 HG22 ILE 18 -6.672 2.150 6.532 129 HG23 ILE 18 HG23 ILE 18 -7.521 2.284 8.072 130 HD11 ILE 18 HD11 ILE 18 -4.384 1.118 9.655 131 HD12 ILE 18 HD12 ILE 18 -6.083 0.973 10.122 132 HD13 ILE 18 HD13 ILE 18 -5.577 2.222 8.974 133 H ALA 19 HN ALA 19 -9.044 -1.472 6.303 134 HA ALA 19 HA ALA 19 -11.428 0.259 6.338 135 HB1 ALA 19 HB1 ALA 19 -11.522 -0.013 3.917 136 HB2 ALA 19 HB2 ALA 19 -10.120 -1.082 3.975 137 HB3 ALA 19 HB3 ALA 19 -9.952 0.617 4.416 138 H GLY 20 HN GLY 20 -10.493 -2.835 5.007 139 HA2 GLY 20 HA2 GLY 20 -11.829 -4.710 6.261 140 HA3 GLY 20 HA1 GLY 20 -13.201 -3.850 5.585 141 H ILE 21 HN ILE 21 -10.128 -4.435 4.084 142 HA ILE 21 HA ILE 21 -11.452 -5.638 1.848 143 HB ILE 21 HB ILE 21 -8.836 -4.529 2.420 144 HG12 ILE 21 HG12 ILE 21 -8.876 -3.979 0.012 145 HG13 ILE 21 HG11 ILE 21 -10.318 -4.981 -0.157 146 HG21 ILE 21 HG21 ILE 21 -7.499 -5.804 0.817 147 HG22 ILE 21 HG22 ILE 21 -8.798 -6.993 0.711 148 HG23 ILE 21 HG23 ILE 21 -7.955 -6.741 2.235 149 HD11 ILE 21 HD11 ILE 21 -11.527 -3.481 1.328 150 HD12 ILE 21 HD12 ILE 21 -10.871 -2.619 -0.065 151 HD13 ILE 21 HD13 ILE 21 -10.081 -2.487 1.507 152 HA PRO 22 HA PRO 22 -11.030 -9.781 3.309 153 HB2 PRO 22 HB2 PRO 22 -11.197 -10.789 0.645 154 HB3 PRO 22 HB1 PRO 22 -12.515 -10.668 1.861 155 HG2 PRO 22 HG2 PRO 22 -12.400 -9.261 -0.506 156 HG3 PRO 22 HG1 PRO 22 -13.239 -8.678 0.937 157 HD2 PRO 22 HD2 PRO 22 -10.550 -7.967 -0.094 158 HD3 PRO 22 HD1 PRO 22 -11.803 -6.933 0.623 159 H VAL 23 HN VAL 23 -8.454 -8.559 2.276 160 HA VAL 23 HA VAL 23 -6.297 -9.058 1.701 161 HB VAL 23 HB VAL 23 -6.621 -10.228 3.952 162 HG11 VAL 23 HG11 VAL 23 -6.526 -12.752 2.350 163 HG12 VAL 23 HG12 VAL 23 -7.854 -12.160 3.347 164 HG13 VAL 23 HG13 VAL 23 -6.334 -12.640 4.100 165 HG21 VAL 23 HG21 VAL 23 -4.344 -11.180 2.227 166 HG22 VAL 23 HG22 VAL 23 -4.387 -11.261 3.987 167 HG23 VAL 23 HG23 VAL 23 -4.403 -9.695 3.175 168 H GLU 24 HN GLU 24 -8.428 -10.146 -0.158 169 HA GLU 24 HA GLU 24 -6.645 -11.850 -1.794 170 HB2 GLU 24 HB2 GLU 24 -8.667 -12.807 -2.774 171 HB3 GLU 24 HB1 GLU 24 -8.674 -13.014 -1.026 172 HG2 GLU 24 HG2 GLU 24 -10.257 -11.235 -0.750 173 HG3 GLU 24 HG1 GLU 24 -10.146 -10.807 -2.455 174 H ASP 25 HN ASP 25 -8.226 -8.889 -1.522 175 HA ASP 25 HA ASP 25 -8.793 -8.583 -4.381 176 HB2 ASP 25 HB2 ASP 25 -10.367 -7.922 -2.513 177 HB3 ASP 25 HB1 ASP 25 -9.276 -6.592 -2.180 178 H VAL 26 HN VAL 26 -6.635 -7.678 -1.970 179 HA VAL 26 HA VAL 26 -5.506 -5.365 -3.285 180 HB VAL 26 HB VAL 26 -4.357 -7.001 -0.984 181 HG11 VAL 26 HG11 VAL 26 -3.776 -4.195 -1.891 182 HG12 VAL 26 HG12 VAL 26 -2.658 -5.567 -1.980 183 HG13 VAL 26 HG13 VAL 26 -3.186 -4.930 -0.404 184 HG21 VAL 26 HG21 VAL 26 -6.061 -4.538 -0.921 185 HG22 VAL 26 HG22 VAL 26 -5.302 -5.310 0.470 186 HG23 VAL 26 HG23 VAL 26 -6.550 -6.161 -0.444 187 H LYS 27 HN LYS 27 -4.872 -6.017 -5.291 188 HA LYS 27 HA LYS 27 -2.634 -7.906 -5.483 189 HB2 LYS 27 HB2 LYS 27 -4.883 -7.363 -7.427 190 HB3 LYS 27 HB1 LYS 27 -3.492 -8.367 -7.779 191 HG2 LYS 27 HG2 LYS 27 -5.517 -8.893 -5.621 192 HG3 LYS 27 HG1 LYS 27 -5.541 -9.628 -7.230 193 HD2 LYS 27 HD2 LYS 27 -3.378 -10.672 -6.786 194 HD3 LYS 27 HD1 LYS 27 -3.323 -9.902 -5.198 195 HE2 LYS 27 HE2 LYS 27 -4.028 -12.256 -5.066 196 HE3 LYS 27 HE1 LYS 27 -5.271 -11.152 -4.489 197 HZ1 LYS 27 HZ1 LYS 27 -5.229 -12.336 -7.218 198 HZ2 LYS 27 HZ2 LYS 27 -6.496 -11.455 -6.546 199 HZ3 LYS 27 HZ3 LYS 27 -6.110 -12.976 -5.942 200 H LEU 28 HN LEU 28 -1.318 -7.318 -7.450 201 HA LEU 28 HA LEU 28 -0.774 -4.592 -7.423 202 HB2 LEU 28 HB2 LEU 28 0.153 -6.796 -9.260 203 HB3 LEU 28 HB1 LEU 28 0.573 -5.133 -9.593 204 HG LEU 28 HG LEU 28 1.742 -5.036 -7.381 205 HD11 LEU 28 HD11 LEU 28 0.548 -6.718 -6.209 206 HD12 LEU 28 HD12 LEU 28 2.279 -7.059 -6.210 207 HD13 LEU 28 HD13 LEU 28 1.191 -7.974 -7.271 208 HD21 LEU 28 HD21 LEU 28 2.983 -5.465 -9.421 209 HD22 LEU 28 HD22 LEU 28 2.676 -7.194 -9.259 210 HD23 LEU 28 HD23 LEU 28 3.674 -6.360 -8.069 211 H ASP 29 HN ASP 29 -1.069 -3.067 -8.980 212 HA ASP 29 HA ASP 29 -2.153 -1.782 -10.458 213 HB2 ASP 29 HB2 ASP 29 -1.838 -3.862 -12.008 214 HB3 ASP 29 HB1 ASP 29 -3.524 -4.173 -11.655 215 H LYS 30 HN LYS 30 -3.383 -3.105 -7.944 216 HA LYS 30 HA LYS 30 -6.127 -2.258 -8.504 217 HB2 LYS 30 HB2 LYS 30 -5.115 -3.685 -6.046 218 HB3 LYS 30 HB1 LYS 30 -6.692 -2.956 -6.414 219 HG2 LYS 30 HG2 LYS 30 -5.556 -5.240 -8.016 220 HG3 LYS 30 HG1 LYS 30 -6.585 -5.460 -6.585 221 HD2 LYS 30 HD2 LYS 30 -8.305 -4.060 -7.664 222 HD3 LYS 30 HD1 LYS 30 -7.301 -4.006 -9.117 223 HE2 LYS 30 HE2 LYS 30 -7.397 -6.431 -9.276 224 HE3 LYS 30 HE1 LYS 30 -8.385 -6.489 -7.817 225 HZ1 LYS 30 HZ1 LYS 30 -9.148 -5.225 -10.404 226 HZ2 LYS 30 HZ2 LYS 30 -10.046 -5.127 -9.000 227 HZ3 LYS 30 HZ3 LYS 30 -9.818 -6.632 -9.720 228 H SER 31 HN SER 31 -6.692 -0.561 -7.875 229 HA SER 31 HA SER 31 -5.056 1.270 -6.338 230 HB2 SER 31 HB2 SER 31 -7.824 1.662 -7.402 231 HB3 SER 31 HB1 SER 31 -6.665 2.951 -7.002 232 HG SER 31 HG SER 31 -6.811 1.147 -9.111 233 H PHE 32 HN PHE 32 -5.158 0.960 -4.294 234 HA PHE 32 HA PHE 32 -6.748 -0.304 -2.567 235 HB2 PHE 32 HB2 PHE 32 -5.353 2.306 -2.044 236 HB3 PHE 32 HB1 PHE 32 -6.015 1.246 -0.810 237 HD1 PHE 32 HD2 PHE 32 -4.947 -0.883 -0.293 238 HD2 PHE 32 HD1 PHE 32 -3.326 1.768 -3.194 239 HE1 PHE 32 HE2 PHE 32 -2.847 -2.091 -0.213 240 HE2 PHE 32 HE1 PHE 32 -1.205 0.560 -3.104 241 HZ PHE 32 HZ PHE 32 -0.956 -1.374 -1.608 242 H THR 33 HN THR 33 -7.049 3.197 -2.904 243 HA THR 33 HA THR 33 -9.756 2.727 -2.022 244 HB THR 33 HB THR 33 -8.484 4.133 -0.495 245 HG1 THR 33 HG1 THR 33 -10.481 5.753 -1.713 246 HG21 THR 33 HG21 THR 33 -6.963 5.225 -2.037 247 HG22 THR 33 HG22 THR 33 -7.829 6.436 -1.097 248 HG23 THR 33 HG23 THR 33 -8.300 6.110 -2.762 249 H ASP 34 HN ASP 34 -9.440 2.081 -4.461 250 HA ASP 34 HA ASP 34 -11.400 3.815 -5.718 251 HB2 ASP 34 HB2 ASP 34 -9.260 4.757 -6.577 252 HB3 ASP 34 HB1 ASP 34 -8.834 3.183 -7.191 253 H ASP 35 HN ASP 35 -9.262 1.117 -6.310 254 HA ASP 35 HA ASP 35 -11.248 -0.386 -7.796 255 HB2 ASP 35 HB2 ASP 35 -8.379 -0.759 -7.116 256 HB3 ASP 35 HB1 ASP 35 -9.240 -2.163 -7.616 257 H LEU 36 HN LEU 36 -9.499 -0.550 -4.746 258 HA LEU 36 HA LEU 36 -10.549 -3.104 -4.071 259 HB2 LEU 36 HB2 LEU 36 -9.211 -1.069 -2.293 260 HB3 LEU 36 HB1 LEU 36 -9.436 -2.721 -1.838 261 HG LEU 36 HG LEU 36 -7.571 -1.565 -3.840 262 HD11 LEU 36 HD11 LEU 36 -5.924 -2.769 -2.494 263 HD12 LEU 36 HD12 LEU 36 -7.217 -3.316 -1.426 264 HD13 LEU 36 HD13 LEU 36 -6.840 -1.599 -1.545 265 HD21 LEU 36 HD21 LEU 36 -6.909 -3.826 -4.413 266 HD22 LEU 36 HD22 LEU 36 -8.560 -3.446 -4.903 267 HD23 LEU 36 HD23 LEU 36 -8.279 -4.465 -3.486 268 H ASP 37 HN ASP 37 -10.791 -0.500 -1.777 269 HA ASP 37 HA ASP 37 -13.201 0.513 -1.697 270 HB2 ASP 37 HB2 ASP 37 -14.222 -1.840 -1.797 271 HB3 ASP 37 HB1 ASP 37 -13.570 -2.102 -0.181 272 H VAL 38 HN VAL 38 -11.192 1.497 -0.830 273 HA VAL 38 HA VAL 38 -11.030 1.038 2.056 274 HB VAL 38 HB VAL 38 -9.066 2.621 0.344 275 HG11 VAL 38 HG11 VAL 38 -8.773 1.614 3.183 276 HG12 VAL 38 HG12 VAL 38 -9.004 3.296 2.709 277 HG13 VAL 38 HG13 VAL 38 -7.528 2.445 2.248 278 HG21 VAL 38 HG21 VAL 38 -7.603 0.691 0.527 279 HG22 VAL 38 HG22 VAL 38 -9.142 0.312 -0.266 280 HG23 VAL 38 HG23 VAL 38 -8.871 -0.179 1.406 281 H ASP 39 HN ASP 39 -10.742 3.006 3.419 282 HA ASP 39 HA ASP 39 -12.919 4.804 2.953 283 HB2 ASP 39 HB2 ASP 39 -10.915 4.714 5.189 284 HB3 ASP 39 HB1 ASP 39 -12.424 5.620 5.169 285 H SER 40 HN SER 40 -9.969 4.959 1.655 286 HA SER 40 HA SER 40 -8.644 6.531 0.718 287 HB2 SER 40 HB2 SER 40 -10.777 7.359 -0.025 288 HB3 SER 40 HB1 SER 40 -10.877 8.427 1.396 289 H LEU 41 HN LEU 41 -10.061 8.357 3.433 290 HA LEU 41 HA LEU 41 -7.564 9.602 3.976 291 HB2 LEU 41 HB2 LEU 41 -8.698 10.555 5.982 292 HB3 LEU 41 HB1 LEU 41 -9.549 10.835 4.486 293 HG LEU 41 HG LEU 41 -11.003 8.803 5.208 294 HD11 LEU 41 HD11 LEU 41 -9.662 8.042 7.064 295 HD12 LEU 41 HD12 LEU 41 -11.260 8.537 7.618 296 HD13 LEU 41 HD13 LEU 41 -9.869 9.590 7.881 297 HD21 LEU 41 HD21 LEU 41 -12.487 10.277 6.462 298 HD22 LEU 41 HD22 LEU 41 -11.833 11.065 5.025 299 HD23 LEU 41 HD23 LEU 41 -11.184 11.455 6.621 300 H SER 42 HN SER 42 -9.082 6.736 5.083 301 HA SER 42 HA SER 42 -7.271 6.247 7.259 302 HB2 SER 42 HB2 SER 42 -9.032 4.311 5.789 303 HB3 SER 42 HB1 SER 42 -8.386 4.154 7.418 304 HG SER 42 HG SER 42 -9.612 5.758 8.145 305 H MET 43 HN MET 43 -7.044 6.049 3.925 306 HA MET 43 HA MET 43 -5.411 3.743 3.779 307 HB2 MET 43 HB2 MET 43 -6.708 4.253 1.894 308 HB3 MET 43 HB1 MET 43 -6.150 5.902 1.846 309 HG2 MET 43 HG2 MET 43 -5.263 4.385 0.060 310 HG3 MET 43 HG1 MET 43 -4.082 5.320 0.958 311 HE1 MET 43 HE1 MET 43 -5.754 1.821 0.657 312 HE2 MET 43 HE2 MET 43 -5.775 2.148 2.412 313 HE3 MET 43 HE3 MET 43 -4.703 0.882 1.745 314 H VAL 44 HN VAL 44 -4.907 7.131 4.164 315 HA VAL 44 HA VAL 44 -2.210 7.301 3.591 316 HB VAL 44 HB VAL 44 -3.526 8.714 5.945 317 HG11 VAL 44 HG11 VAL 44 -1.111 8.946 5.921 318 HG12 VAL 44 HG12 VAL 44 -1.883 10.483 5.530 319 HG13 VAL 44 HG13 VAL 44 -1.164 9.503 4.249 320 HG21 VAL 44 HG21 VAL 44 -4.063 10.531 4.380 321 HG22 VAL 44 HG22 VAL 44 -4.861 9.026 3.917 322 HG23 VAL 44 HG23 VAL 44 -3.420 9.563 3.054 323 H GLU 45 HN GLU 45 -3.837 6.326 6.607 324 HA GLU 45 HA GLU 45 -1.782 5.644 8.353 325 HB2 GLU 45 HB2 GLU 45 -4.387 4.228 7.818 326 HB3 GLU 45 HB1 GLU 45 -3.326 3.862 9.161 327 HG2 GLU 45 HG2 GLU 45 -4.614 6.532 8.700 328 HG3 GLU 45 HG1 GLU 45 -5.254 5.192 9.675 329 H VAL 46 HN VAL 46 -3.436 3.634 5.979 330 HA VAL 46 HA VAL 46 -2.184 1.218 6.340 331 HB VAL 46 HB VAL 46 -3.165 2.343 3.721 332 HG11 VAL 46 HG11 VAL 46 -3.617 0.031 3.106 333 HG12 VAL 46 HG12 VAL 46 -2.832 -0.508 4.602 334 HG13 VAL 46 HG13 VAL 46 -1.908 0.357 3.370 335 HG21 VAL 46 HG21 VAL 46 -4.879 2.563 5.386 336 HG22 VAL 46 HG22 VAL 46 -4.679 0.874 5.864 337 HG23 VAL 46 HG23 VAL 46 -5.299 1.277 4.262 338 H VAL 47 HN VAL 47 -1.106 3.977 4.632 339 HA VAL 47 HA VAL 47 0.885 2.679 2.956 340 HB VAL 47 HB VAL 47 0.799 5.599 3.714 341 HG11 VAL 47 HG11 VAL 47 2.850 4.822 2.701 342 HG12 VAL 47 HG12 VAL 47 1.987 5.915 1.613 343 HG13 VAL 47 HG13 VAL 47 1.951 4.172 1.327 344 HG21 VAL 47 HG21 VAL 47 -0.482 5.985 1.664 345 HG22 VAL 47 HG22 VAL 47 -1.372 4.977 2.809 346 HG23 VAL 47 HG23 VAL 47 -0.590 4.245 1.412 347 H VAL 48 HN VAL 48 0.869 4.679 5.824 348 HA VAL 48 HA VAL 48 3.670 4.443 6.213 349 HB VAL 48 HB VAL 48 1.556 5.155 8.283 350 HG11 VAL 48 HG11 VAL 48 3.389 6.293 9.451 351 HG12 VAL 48 HG12 VAL 48 4.522 5.727 8.224 352 HG13 VAL 48 HG13 VAL 48 3.712 4.566 9.275 353 HG21 VAL 48 HG21 VAL 48 1.413 6.643 6.359 354 HG22 VAL 48 HG22 VAL 48 3.144 6.967 6.464 355 HG23 VAL 48 HG23 VAL 48 2.067 7.497 7.755 356 H ALA 49 HN ALA 49 0.833 2.570 7.094 357 HA ALA 49 HA ALA 49 2.109 1.086 9.030 358 HB1 ALA 49 HB1 ALA 49 0.194 -0.459 8.855 359 HB2 ALA 49 HB2 ALA 49 -0.328 0.396 7.402 360 HB3 ALA 49 HB3 ALA 49 -0.306 1.229 8.955 361 H ALA 50 HN ALA 50 1.683 0.843 5.600 362 HA ALA 50 HA ALA 50 2.707 -1.701 5.126 363 HB1 ALA 50 HB1 ALA 50 3.167 -0.851 2.803 364 HB2 ALA 50 HB2 ALA 50 2.761 0.779 3.339 365 HB3 ALA 50 HB3 ALA 50 1.546 -0.474 3.343 366 H GLU 51 HN GLU 51 4.338 1.471 5.116 367 HA GLU 51 HA GLU 51 6.805 0.194 4.719 368 HB2 GLU 51 HB2 GLU 51 7.865 2.412 5.103 369 HB3 GLU 51 HB1 GLU 51 6.710 2.353 3.824 370 HG2 GLU 51 HG2 GLU 51 6.004 4.157 4.623 371 HG3 GLU 51 HG1 GLU 51 5.081 3.200 5.770 372 H GLU 52 HN GLU 52 5.180 1.065 7.622 373 HA GLU 52 HA GLU 52 7.297 0.641 9.420 374 HB2 GLU 52 HB2 GLU 52 4.334 0.172 9.706 375 HB3 GLU 52 HB1 GLU 52 5.464 -0.072 11.036 376 HG2 GLU 52 HG2 GLU 52 6.079 2.272 10.932 377 HG3 GLU 52 HG1 GLU 52 4.997 2.497 9.555 378 H ARG 53 HN ARG 53 5.142 -1.606 7.805 379 HA ARG 53 HA ARG 53 6.263 -3.829 9.273 380 HB2 ARG 53 HB2 ARG 53 3.868 -3.873 8.811 381 HB3 ARG 53 HB1 ARG 53 4.177 -3.799 7.083 382 HG2 ARG 53 HG2 ARG 53 5.319 -5.969 7.206 383 HG3 ARG 53 HG1 ARG 53 4.951 -6.053 8.923 384 HD2 ARG 53 HD2 ARG 53 2.567 -6.189 8.448 385 HD3 ARG 53 HD1 ARG 53 2.872 -5.854 6.753 386 HE ARG 53 HE ARG 53 4.388 -8.004 7.166 387 HH11 ARG 53 HH11 ARG 53 0.956 -7.558 8.084 388 HH12 ARG 53 HH12 ARG 53 0.509 -9.108 7.534 389 HH21 ARG 53 HH21 ARG 53 3.723 -10.076 6.399 390 HH22 ARG 53 HH22 ARG 53 2.132 -10.608 6.610 391 H PHE 54 HN PHE 54 6.565 -2.468 6.031 392 HA PHE 54 HA PHE 54 8.123 -4.826 5.256 393 HB2 PHE 54 HB2 PHE 54 7.377 -2.578 3.394 394 HB3 PHE 54 HB1 PHE 54 7.878 -4.220 2.977 395 HD1 PHE 54 HD2 PHE 54 6.347 -5.849 4.705 396 HD2 PHE 54 HD1 PHE 54 5.230 -2.324 2.653 397 HE1 PHE 54 HE2 PHE 54 4.075 -6.651 4.593 398 HE2 PHE 54 HE1 PHE 54 2.942 -3.107 2.527 399 HZ PHE 54 HZ PHE 54 2.247 -5.003 3.829 400 H ASP 55 HN ASP 55 8.702 -1.966 6.581 401 HA ASP 55 HA ASP 55 10.676 -1.118 7.344 402 HB2 ASP 55 HB2 ASP 55 11.706 -3.251 7.426 403 HB3 ASP 55 HB1 ASP 55 11.828 -3.338 5.682 404 H VAL 56 HN VAL 56 9.610 -0.715 4.257 405 HA VAL 56 HA VAL 56 11.755 0.946 3.294 406 HB VAL 56 HB VAL 56 10.107 -0.227 1.802 407 HG11 VAL 56 HG11 VAL 56 8.152 1.778 2.839 408 HG12 VAL 56 HG12 VAL 56 8.132 0.029 3.083 409 HG13 VAL 56 HG13 VAL 56 7.894 0.699 1.470 410 HG21 VAL 56 HG21 VAL 56 10.049 2.762 1.420 411 HG22 VAL 56 HG22 VAL 56 9.765 1.527 0.188 412 HG23 VAL 56 HG23 VAL 56 11.360 1.686 0.925 413 H LYS 57 HN LYS 57 11.088 3.426 2.776 414 HA LYS 57 HA LYS 57 9.471 4.419 4.983 415 HB2 LYS 57 HB2 LYS 57 11.897 4.986 5.322 416 HB3 LYS 57 HB1 LYS 57 11.882 5.819 3.770 417 HG2 LYS 57 HG2 LYS 57 11.669 7.391 5.622 418 HG3 LYS 57 HG1 LYS 57 10.220 7.391 4.610 419 HD2 LYS 57 HD2 LYS 57 9.314 5.649 6.273 420 HD3 LYS 57 HD1 LYS 57 10.621 6.187 7.322 421 HE2 LYS 57 HE2 LYS 57 9.739 8.415 7.367 422 HE3 LYS 57 HE1 LYS 57 8.585 7.990 6.087 423 HZ1 LYS 57 HZ1 LYS 57 7.480 7.956 8.250 424 HZ2 LYS 57 HZ2 LYS 57 8.591 6.820 8.816 425 HZ3 LYS 57 HZ3 LYS 57 7.563 6.430 7.523 426 H ILE 58 HN ILE 58 7.785 5.688 4.351 427 HA ILE 58 HA ILE 58 7.813 6.478 1.522 428 HB ILE 58 HB ILE 58 5.315 5.627 3.030 429 HG12 ILE 58 HG12 ILE 58 6.968 3.978 1.059 430 HG13 ILE 58 HG11 ILE 58 6.848 3.697 2.784 431 HG21 ILE 58 HG21 ILE 58 4.334 5.544 0.773 432 HG22 ILE 58 HG22 ILE 58 5.872 6.087 0.097 433 HG23 ILE 58 HG23 ILE 58 4.951 7.151 1.160 434 HD11 ILE 58 HD11 ILE 58 4.603 3.486 0.796 435 HD12 ILE 58 HD12 ILE 58 4.488 3.174 2.532 436 HD13 ILE 58 HD13 ILE 58 5.502 2.150 1.516 437 HA PRO 59 HA PRO 59 7.003 10.513 3.524 438 HB2 PRO 59 HB2 PRO 59 7.351 11.946 1.279 439 HB3 PRO 59 HB1 PRO 59 8.755 11.375 2.224 440 HG2 PRO 59 HG2 PRO 59 7.430 10.196 -0.186 441 HG3 PRO 59 HG1 PRO 59 9.181 10.470 0.071 442 HD2 PRO 59 HD2 PRO 59 8.097 8.053 0.413 443 HD3 PRO 59 HD1 PRO 59 9.329 8.649 1.547 444 H ASP 60 HN ASP 60 5.259 12.026 3.157 445 HA ASP 60 HA ASP 60 2.821 11.009 2.297 446 HB2 ASP 60 HB2 ASP 60 3.647 13.916 2.465 447 HB3 ASP 60 HB1 ASP 60 1.992 13.340 2.352 448 H ASP 61 HN ASP 61 5.180 12.918 0.574 449 HA ASP 61 HA ASP 61 3.808 13.467 -1.783 450 HB2 ASP 61 HB2 ASP 61 5.974 14.469 -1.235 451 HB3 ASP 61 HB1 ASP 61 6.759 12.909 -1.435 452 H ASP 62 HN ASP 62 5.682 10.577 -0.929 453 HA ASP 62 HA ASP 62 5.001 9.389 -3.481 454 HB2 ASP 62 HB2 ASP 62 6.721 8.368 -1.234 455 HB3 ASP 62 HB1 ASP 62 6.240 7.340 -2.580 456 H VAL 63 HN VAL 63 3.928 9.278 -0.230 457 HA VAL 63 HA VAL 63 2.335 7.000 -0.159 458 HB VAL 63 HB VAL 63 1.781 9.805 0.939 459 HG11 VAL 63 HG11 VAL 63 0.112 8.814 2.404 460 HG12 VAL 63 HG12 VAL 63 0.329 7.258 1.598 461 HG13 VAL 63 HG13 VAL 63 -0.334 8.628 0.708 462 HG21 VAL 63 HG21 VAL 63 2.713 7.296 2.314 463 HG22 VAL 63 HG22 VAL 63 2.394 8.845 3.095 464 HG23 VAL 63 HG23 VAL 63 3.707 8.700 1.927 465 H LYS 64 HN LYS 64 1.434 10.212 -1.228 466 HA LYS 64 HA LYS 64 -1.105 9.442 -2.342 467 HB2 LYS 64 HB2 LYS 64 -1.313 11.742 -2.957 468 HB3 LYS 64 HB1 LYS 64 -0.556 11.673 -1.370 469 HG2 LYS 64 HG2 LYS 64 1.660 11.851 -2.634 470 HG3 LYS 64 HG1 LYS 64 0.681 12.342 -4.007 471 HD2 LYS 64 HD2 LYS 64 -0.346 14.079 -2.411 472 HD3 LYS 64 HD1 LYS 64 1.026 13.659 -1.365 473 HE2 LYS 64 HE2 LYS 64 2.577 14.226 -3.149 474 HE3 LYS 64 HE1 LYS 64 1.220 14.692 -4.172 475 HZ1 LYS 64 HZ1 LYS 64 0.631 16.386 -2.524 476 HZ2 LYS 64 HZ2 LYS 64 2.230 16.591 -3.096 477 HZ3 LYS 64 HZ3 LYS 64 1.959 15.909 -1.592 478 H ASN 65 HN ASN 65 1.837 8.788 -3.450 479 HA ASN 65 HA ASN 65 1.499 9.501 -6.267 480 HB2 ASN 65 HB2 ASN 65 3.758 9.737 -5.217 481 HB3 ASN 65 HB1 ASN 65 3.691 8.028 -4.836 482 HD21 ASN 65 HD21 ASN 65 5.532 7.664 -5.939 483 HD22 ASN 65 HD22 ASN 65 5.567 7.490 -7.655 484 H LEU 66 HN LEU 66 1.481 6.847 -4.020 485 HA LEU 66 HA LEU 66 1.237 4.809 -5.970 486 HB2 LEU 66 HB2 LEU 66 0.460 4.628 -3.073 487 HB3 LEU 66 HB1 LEU 66 1.078 3.371 -4.115 488 HG LEU 66 HG LEU 66 2.662 5.614 -2.852 489 HD11 LEU 66 HD11 LEU 66 2.698 2.649 -2.321 490 HD12 LEU 66 HD12 LEU 66 1.966 3.858 -1.307 491 HD13 LEU 66 HD13 LEU 66 3.725 3.859 -1.551 492 HD21 LEU 66 HD21 LEU 66 4.651 4.511 -3.763 493 HD22 LEU 66 HD22 LEU 66 3.585 5.065 -5.053 494 HD23 LEU 66 HD23 LEU 66 3.625 3.358 -4.616 495 H LYS 67 HN LYS 67 -0.651 4.342 -6.805 496 HA LYS 67 HA LYS 67 -3.083 5.067 -5.306 497 HB2 LYS 67 HB2 LYS 67 -2.788 4.760 -8.310 498 HB3 LYS 67 HB1 LYS 67 -4.346 4.778 -7.514 499 HG2 LYS 67 HG2 LYS 67 -3.974 6.936 -8.439 500 HG3 LYS 67 HG1 LYS 67 -3.805 7.081 -6.693 501 HD2 LYS 67 HD2 LYS 67 -1.381 7.033 -6.926 502 HD3 LYS 67 HD1 LYS 67 -1.547 6.857 -8.673 503 HE2 LYS 67 HE2 LYS 67 -2.691 9.021 -8.772 504 HE3 LYS 67 HE1 LYS 67 -2.501 9.196 -7.028 505 HZ1 LYS 67 HZ1 LYS 67 -0.817 10.410 -8.277 506 HZ2 LYS 67 HZ2 LYS 67 -0.285 8.981 -8.992 507 HZ3 LYS 67 HZ3 LYS 67 -0.118 9.205 -7.314 508 H THR 68 HN THR 68 -1.509 2.680 -7.301 509 HA THR 68 HA THR 68 -3.415 0.696 -6.425 510 HB THR 68 HB THR 68 -2.406 -0.730 -8.110 511 HG1 THR 68 HG1 THR 68 -0.919 1.526 -9.009 512 HG21 THR 68 HG21 THR 68 -4.262 0.718 -8.797 513 HG22 THR 68 HG22 THR 68 -3.126 0.498 -10.128 514 HG23 THR 68 HG23 THR 68 -3.123 2.001 -9.202 515 H VAL 69 HN VAL 69 -2.377 -1.511 -5.912 516 HA VAL 69 HA VAL 69 -0.169 -1.035 -4.178 517 HB VAL 69 HB VAL 69 -0.957 -2.774 -3.043 518 HG11 VAL 69 HG11 VAL 69 -3.013 -3.933 -3.665 519 HG12 VAL 69 HG12 VAL 69 -2.872 -3.213 -5.277 520 HG13 VAL 69 HG13 VAL 69 -3.081 -2.174 -3.875 521 HG21 VAL 69 HG21 VAL 69 -0.886 -5.115 -3.851 522 HG22 VAL 69 HG22 VAL 69 0.602 -4.227 -4.182 523 HG23 VAL 69 HG23 VAL 69 -0.554 -4.521 -5.484 524 H GLY 70 HN GLY 70 -0.631 -1.633 -7.351 525 HA2 GLY 70 HA2 GLY 70 1.772 -3.135 -7.865 526 HA3 GLY 70 HA1 GLY 70 0.862 -2.231 -9.077 527 H ASP 71 HN ASP 71 0.942 0.175 -7.497 528 HA ASP 71 HA ASP 71 3.564 1.142 -8.287 529 HB2 ASP 71 HB2 ASP 71 1.271 2.523 -8.267 530 HB3 ASP 71 HB1 ASP 71 1.685 2.733 -6.582 531 H ALA 72 HN ALA 72 1.683 0.891 -5.362 532 HA ALA 72 HA ALA 72 3.347 1.781 -3.334 533 HB1 ALA 72 HB1 ALA 72 2.097 0.395 -1.824 534 HB2 ALA 72 HB2 ALA 72 1.625 -0.670 -3.106 535 HB3 ALA 72 HB3 ALA 72 0.963 0.979 -3.055 536 H THR 73 HN THR 73 2.921 -1.543 -4.217 537 HA THR 73 HA THR 73 4.797 -2.539 -2.597 538 HB THR 73 HB THR 73 3.866 -3.670 -5.218 539 HG1 THR 73 HG1 THR 73 2.107 -3.511 -4.115 540 HG21 THR 73 HG21 THR 73 4.370 -5.806 -4.169 541 HG22 THR 73 HG22 THR 73 4.992 -4.900 -2.761 542 HG23 THR 73 HG23 THR 73 5.809 -4.770 -4.326 543 H LYS 74 HN LYS 74 5.126 -1.522 -5.939 544 HA LYS 74 HA LYS 74 7.715 -2.333 -6.487 545 HB2 LYS 74 HB2 LYS 74 6.282 -1.598 -8.258 546 HB3 LYS 74 HB1 LYS 74 5.929 -0.126 -7.372 547 HG2 LYS 74 HG2 LYS 74 8.703 -0.617 -8.441 548 HG3 LYS 74 HG1 LYS 74 7.436 -0.053 -9.526 549 HD2 LYS 74 HD2 LYS 74 7.504 1.454 -7.068 550 HD3 LYS 74 HD1 LYS 74 9.076 1.546 -7.894 551 HE2 LYS 74 HE2 LYS 74 7.751 3.412 -8.609 552 HE3 LYS 74 HE1 LYS 74 7.762 2.266 -9.942 553 HZ1 LYS 74 HZ1 LYS 74 5.508 2.727 -8.024 554 HZ2 LYS 74 HZ2 LYS 74 5.525 1.545 -9.253 555 HZ3 LYS 74 HZ3 LYS 74 5.599 3.155 -9.640 556 H TYR 75 HN TYR 75 6.390 0.689 -5.247 557 HA TYR 75 HA TYR 75 8.721 2.138 -4.929 558 HB2 TYR 75 HB2 TYR 75 6.372 3.016 -4.749 559 HB3 TYR 75 HB1 TYR 75 6.261 2.183 -3.249 560 HD1 TYR 75 HD1 TYR 75 8.669 4.577 -4.739 561 HD2 TYR 75 HD2 TYR 75 6.605 3.282 -1.270 562 HE1 TYR 75 HE1 TYR 75 9.549 6.470 -3.522 563 HE2 TYR 75 HE2 TYR 75 7.501 5.198 -0.025 564 HH TYR 75 HH TYR 75 9.040 7.821 -1.656 565 H ILE 76 HN ILE 76 6.946 0.218 -2.654 566 HA ILE 76 HA ILE 76 8.483 0.544 -0.385 567 HB ILE 76 HB ILE 76 6.762 -1.746 -1.342 568 HG12 ILE 76 HG12 ILE 76 6.208 0.249 0.811 569 HG13 ILE 76 HG11 ILE 76 5.883 0.611 -0.879 570 HG21 ILE 76 HG21 ILE 76 7.911 -1.307 1.418 571 HG22 ILE 76 HG22 ILE 76 8.330 -2.616 0.306 572 HG23 ILE 76 HG23 ILE 76 6.703 -2.519 0.980 573 HD11 ILE 76 HD11 ILE 76 3.886 -0.199 0.272 574 HD12 ILE 76 HD12 ILE 76 4.755 -1.703 0.679 575 HD13 ILE 76 HD13 ILE 76 4.433 -1.290 -1.007 576 H LEU 77 HN LEU 77 8.502 -2.327 -2.523 577 HA LEU 77 HA LEU 77 10.640 -3.621 -1.466 578 HB2 LEU 77 HB2 LEU 77 8.979 -4.468 -3.039 579 HB3 LEU 77 HB1 LEU 77 9.615 -3.448 -4.291 580 HG LEU 77 HG LEU 77 11.091 -5.814 -3.106 581 HD11 LEU 77 HD11 LEU 77 10.356 -6.912 -5.188 582 HD12 LEU 77 HD12 LEU 77 9.402 -5.446 -5.538 583 HD13 LEU 77 HD13 LEU 77 9.011 -6.433 -4.131 584 HD21 LEU 77 HD21 LEU 77 12.546 -4.148 -4.263 585 HD22 LEU 77 HD22 LEU 77 11.515 -4.277 -5.687 586 HD23 LEU 77 HD23 LEU 77 12.445 -5.674 -5.142 587 H ASP 78 HN ASP 78 10.504 -1.214 -4.023 588 HA ASP 78 HA ASP 78 13.172 -1.520 -4.912 589 HB2 ASP 78 HB2 ASP 78 11.693 -0.844 -6.529 590 HB3 ASP 78 HB1 ASP 78 10.924 0.386 -5.566 591 H HIS 79 HN HIS 79 11.764 0.305 -2.426 592 HA HIS 79 HA HIS 79 14.224 1.843 -2.156 593 HB2 HIS 79 HB2 HIS 79 11.451 2.329 -1.208 594 HB3 HIS 79 HB1 HIS 79 12.786 3.060 -0.341 595 HD1 HIS 79 HD1 HIS 79 12.926 5.463 -1.080 596 HD2 HIS 79 HD2 HIS 79 12.008 2.905 -4.238 597 HE1 HIS 79 HE1 HIS 79 12.793 6.900 -3.100 598 HE2 HIS 79 HE2 HIS 79 11.906 5.405 -4.884 599 H GLN 80 HN GLN 80 13.242 -1.066 -1.073 600 HA GLN 80 HA GLN 80 14.908 -0.660 1.264 601 HB2 GLN 80 HB2 GLN 80 13.591 -2.601 2.384 602 HB3 GLN 80 HB1 GLN 80 13.055 -0.934 2.503 603 HG2 GLN 80 HG2 GLN 80 11.122 -1.611 1.792 604 HG3 GLN 80 HG1 GLN 80 11.851 -1.862 0.219 605 HE21 GLN 80 HE21 GLN 80 9.649 -3.178 1.260 606 HE22 GLN 80 HE22 GLN 80 10.040 -4.869 1.314 607 H ALA 81 HN ALA 81 13.669 -3.538 0.130 608 HA ALA 81 HA ALA 81 16.321 -4.079 -0.603 609 HB1 ALA 81 HB1 ALA 81 16.449 -6.274 0.509 610 HB2 ALA 81 HB2 ALA 81 14.845 -5.982 1.186 611 HB3 ALA 81 HB3 ALA 81 16.194 -4.939 1.634 612 H1 SYO 101 H1A SYO 101 -3.980 7.000 0.270 613 H1A SYO 101 H1B SYO 101 -2.417 6.711 1.072 614 H2 SYO 101 H2A SYO 101 -1.280 7.049 -0.881 615 H2A SYO 101 H2B SYO 101 -2.657 7.765 -1.716 616 H4 SYO 101 H4A SYO 101 -0.672 5.238 -1.547 617 H4A SYO 101 H4B SYO 101 -1.652 4.506 -2.816 618 H5 SYO 101 H5A SYO 101 -2.166 2.699 -1.525 619 H5A SYO 101 H5B SYO 101 -2.224 3.651 -0.043 620 H6 SYO 101 H6A SYO 101 0.249 3.793 -0.109 621 H6A SYO 101 H6B SYO 101 0.236 2.724 -1.510 622 H7 SYO 101 H7A SYO 101 -0.756 0.949 -0.199 623 H7A SYO 101 H7B SYO 101 -0.856 2.026 1.210 624 H8 SYO 101 H8C SYO 101 1.576 2.256 1.174 625 H8A SYO 101 H8A SYO 101 1.663 1.191 -0.228 626 H8B SYO 101 H8B SYO 101 1.104 0.565 1.326 627 H28 SYO 101 H28A SYO 101 -8.039 11.006 -1.740 628 H28A SYO 101 H28B SYO 101 -7.667 9.376 -2.294 629 H30 SYO 101 H30A SYO 101 -8.891 12.625 -3.478 630 H30A SYO 101 H30B SYO 101 -10.062 11.390 -3.922 631 H30B SYO 101 H30C SYO 101 -9.068 12.150 -5.185 632 H31 SYO 101 H31A SYO 101 -6.550 11.637 -5.145 633 H31A SYO 101 H31B SYO 101 -5.937 10.555 -3.894 634 H31B SYO 101 H31C SYO 101 -6.539 12.153 -3.457 635 H32 SYO 101 H32A SYO 101 -9.158 8.950 -4.632 636 HO33 SYO 101 H33A SYO 101 -8.020 9.456 -6.833 637 HN36 SYO 101 H36A SYO 101 -7.232 8.435 -3.216 638 H37 SYO 101 H37A SYO 101 -5.591 6.857 -2.804 639 H37A SYO 101 H37B SYO 101 -5.895 6.224 -4.427 640 H38 SYO 101 H38A SYO 101 -3.558 6.953 -4.000 641 H38A SYO 101 H38B SYO 101 -4.288 7.805 -5.365 642 HN41 SYO 101 H41A SYO 101 -4.561 8.218 -1.949 643 H42 SYO 101 H42A SYO 101 -2.898 10.525 -1.653 644 H42A SYO 101 H42B SYO 101 -4.589 10.920 -1.791 645 H43 SYO 101 H43A SYO 101 -5.077 9.244 -0.022 646 H43A SYO 101 H43B SYO 101 -4.384 10.788 0.431 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 10.364 -7.623 5.720 2 H2 ALA 1 HT2 ALA 1 10.941 -6.233 6.498 3 H3 ALA 1 HT3 ALA 1 11.895 -7.631 6.404 4 HA ALA 1 HA ALA 1 11.097 -6.056 4.042 5 HB1 ALA 1 HB1 ALA 1 13.474 -5.490 3.943 6 HB2 ALA 1 HB2 ALA 1 13.740 -6.338 5.466 7 HB3 ALA 1 HB3 ALA 1 12.731 -4.892 5.427 8 H ALA 2 HN ALA 2 11.338 -7.212 2.178 9 HA ALA 2 HA ALA 2 13.102 -9.421 1.940 10 HB1 ALA 2 HB1 ALA 2 11.408 -10.533 3.340 11 HB2 ALA 2 HB2 ALA 2 11.506 -11.257 1.735 12 HB3 ALA 2 HB3 ALA 2 10.175 -10.165 2.131 13 H THR 3 HN THR 3 9.836 -8.874 0.592 14 HA THR 3 HA THR 3 10.669 -7.851 -1.894 15 HB THR 3 HB THR 3 11.671 -10.063 -2.266 16 HG1 THR 3 HG1 THR 3 10.957 -9.622 -4.165 17 HG21 THR 3 HG21 THR 3 10.337 -12.142 -2.220 18 HG22 THR 3 HG22 THR 3 8.955 -11.232 -1.610 19 HG23 THR 3 HG23 THR 3 10.415 -11.375 -0.632 20 H GLN 4 HN GLN 4 8.758 -8.576 -3.468 21 HA GLN 4 HA GLN 4 6.465 -7.240 -2.766 22 HB2 GLN 4 HB2 GLN 4 6.904 -7.749 -5.064 23 HB3 GLN 4 HB1 GLN 4 6.805 -9.471 -4.763 24 HG2 GLN 4 HG2 GLN 4 4.376 -7.943 -4.146 25 HG3 GLN 4 HG1 GLN 4 4.836 -7.964 -5.840 26 HE21 GLN 4 HE21 GLN 4 3.609 -9.848 -3.156 27 HE22 GLN 4 HE22 GLN 4 3.267 -11.250 -4.071 28 H GLU 5 HN GLU 5 6.965 -10.727 -2.408 29 HA GLU 5 HA GLU 5 4.460 -11.337 -1.351 30 HB2 GLU 5 HB2 GLU 5 7.108 -12.686 -0.875 31 HB3 GLU 5 HB1 GLU 5 5.570 -13.334 -0.316 32 HG2 GLU 5 HG2 GLU 5 4.770 -13.433 -2.625 33 HG3 GLU 5 HG1 GLU 5 6.316 -12.797 -3.182 34 H GLU 6 HN GLU 6 7.034 -9.724 0.166 35 HA GLU 6 HA GLU 6 6.051 -9.997 2.902 36 HB2 GLU 6 HB2 GLU 6 8.444 -9.593 2.604 37 HB3 GLU 6 HB1 GLU 6 8.127 -8.273 1.509 38 HG2 GLU 6 HG2 GLU 6 8.870 -7.244 3.438 39 HG3 GLU 6 HG1 GLU 6 7.123 -7.072 3.524 40 H ILE 7 HN ILE 7 5.752 -7.842 0.157 41 HA ILE 7 HA ILE 7 4.840 -5.591 1.660 42 HB ILE 7 HB ILE 7 4.918 -6.208 -1.285 43 HG12 ILE 7 HG12 ILE 7 6.811 -4.587 0.393 44 HG13 ILE 7 HG11 ILE 7 7.058 -6.287 0.015 45 HG21 ILE 7 HG21 ILE 7 3.343 -4.414 -0.767 46 HG22 ILE 7 HG22 ILE 7 4.780 -3.777 -1.569 47 HG23 ILE 7 HG23 ILE 7 4.586 -3.589 0.177 48 HD11 ILE 7 HD11 ILE 7 7.109 -5.742 -2.353 49 HD12 ILE 7 HD12 ILE 7 8.330 -4.842 -1.451 50 HD13 ILE 7 HD13 ILE 7 6.846 -4.041 -1.967 51 H VAL 8 HN VAL 8 3.412 -7.319 -1.083 52 HA VAL 8 HA VAL 8 0.839 -6.330 -0.674 53 HB VAL 8 HB VAL 8 1.578 -8.862 -2.156 54 HG11 VAL 8 HG11 VAL 8 -0.730 -6.968 -2.513 55 HG12 VAL 8 HG12 VAL 8 -0.813 -8.599 -1.840 56 HG13 VAL 8 HG13 VAL 8 -0.371 -8.364 -3.530 57 HG21 VAL 8 HG21 VAL 8 1.800 -7.434 -4.129 58 HG22 VAL 8 HG22 VAL 8 2.971 -7.024 -2.873 59 HG23 VAL 8 HG23 VAL 8 1.555 -6.013 -3.114 60 H ALA 9 HN ALA 9 2.157 -9.394 0.399 61 HA ALA 9 HA ALA 9 -0.195 -10.458 1.457 62 HB1 ALA 9 HB1 ALA 9 1.850 -11.744 1.189 63 HB2 ALA 9 HB2 ALA 9 1.283 -11.833 2.859 64 HB3 ALA 9 HB3 ALA 9 2.641 -10.785 2.434 65 H GLY 10 HN GLY 10 2.103 -8.121 2.862 66 HA2 GLY 10 HA2 GLY 10 0.739 -8.270 5.324 67 HA3 GLY 10 HA1 GLY 10 2.147 -7.262 4.981 68 H LEU 11 HN LEU 11 1.095 -6.106 2.656 69 HA LEU 11 HA LEU 11 -0.129 -3.822 3.665 70 HB2 LEU 11 HB2 LEU 11 1.113 -4.521 1.361 71 HB3 LEU 11 HB1 LEU 11 -0.545 -4.550 0.820 72 HG LEU 11 HG LEU 11 0.925 -2.157 1.961 73 HD11 LEU 11 HD11 LEU 11 0.718 -1.262 -0.284 74 HD12 LEU 11 HD12 LEU 11 -0.019 -2.771 -0.823 75 HD13 LEU 11 HD13 LEU 11 1.652 -2.757 -0.256 76 HD21 LEU 11 HD21 LEU 11 -1.881 -2.366 0.880 77 HD22 LEU 11 HD22 LEU 11 -1.060 -0.876 1.344 78 HD23 LEU 11 HD23 LEU 11 -1.442 -2.090 2.564 79 H ALA 12 HN ALA 12 -1.391 -6.666 1.975 80 HA ALA 12 HA ALA 12 -4.066 -5.967 1.725 81 HB1 ALA 12 HB1 ALA 12 -3.150 -7.985 0.730 82 HB2 ALA 12 HB2 ALA 12 -4.534 -8.357 1.783 83 HB3 ALA 12 HB3 ALA 12 -2.894 -8.668 2.339 84 H GLU 13 HN GLU 13 -2.417 -7.522 4.437 85 HA GLU 13 HA GLU 13 -4.766 -7.758 5.989 86 HB2 GLU 13 HB2 GLU 13 -1.890 -7.864 6.877 87 HB3 GLU 13 HB1 GLU 13 -3.269 -8.284 7.891 88 HG2 GLU 13 HG2 GLU 13 -3.906 -9.987 6.247 89 HG3 GLU 13 HG1 GLU 13 -2.456 -9.630 5.328 90 H ILE 14 HN ILE 14 -2.338 -5.355 5.801 91 HA ILE 14 HA ILE 14 -3.199 -3.677 7.894 92 HB ILE 14 HB ILE 14 -1.966 -2.987 5.212 93 HG12 ILE 14 HG12 ILE 14 -0.626 -3.061 7.897 94 HG13 ILE 14 HG11 ILE 14 -0.797 -4.514 6.927 95 HG21 ILE 14 HG21 ILE 14 -1.325 -0.865 6.236 96 HG22 ILE 14 HG22 ILE 14 -2.229 -1.289 7.689 97 HG23 ILE 14 HG23 ILE 14 -3.080 -1.035 6.164 98 HD11 ILE 14 HD11 ILE 14 0.418 -3.474 5.144 99 HD12 ILE 14 HD12 ILE 14 1.356 -3.508 6.639 100 HD13 ILE 14 HD13 ILE 14 0.596 -2.001 6.098 101 H VAL 15 HN VAL 15 -4.285 -4.004 4.553 102 HA VAL 15 HA VAL 15 -6.008 -1.768 4.569 103 HB VAL 15 HB VAL 15 -6.161 -4.213 2.761 104 HG11 VAL 15 HG11 VAL 15 -8.153 -2.862 2.709 105 HG12 VAL 15 HG12 VAL 15 -7.248 -2.715 1.202 106 HG13 VAL 15 HG13 VAL 15 -7.186 -1.419 2.401 107 HG21 VAL 15 HG21 VAL 15 -3.987 -3.185 2.645 108 HG22 VAL 15 HG22 VAL 15 -4.745 -1.613 2.328 109 HG23 VAL 15 HG23 VAL 15 -4.909 -2.937 1.160 110 H ASN 16 HN ASN 16 -6.215 -4.968 5.668 111 HA ASN 16 HA ASN 16 -9.102 -5.276 5.650 112 HB2 ASN 16 HB2 ASN 16 -7.268 -6.907 7.467 113 HB3 ASN 16 HB1 ASN 16 -8.831 -7.298 6.808 114 HD21 ASN 16 HD21 ASN 16 -8.347 -6.734 4.143 115 HD22 ASN 16 HD22 ASN 16 -7.105 -7.860 3.642 116 H GLU 17 HN GLU 17 -6.625 -4.785 8.078 117 HA GLU 17 HA GLU 17 -8.325 -4.466 10.290 118 HB2 GLU 17 HB2 GLU 17 -5.486 -3.577 9.852 119 HB3 GLU 17 HB1 GLU 17 -6.303 -3.641 11.407 120 HG2 GLU 17 HG2 GLU 17 -5.905 -6.011 9.616 121 HG3 GLU 17 HG1 GLU 17 -4.809 -5.574 10.932 122 H ILE 18 HN ILE 18 -6.668 -2.064 8.257 123 HA ILE 18 HA ILE 18 -7.564 0.193 9.765 124 HB ILE 18 HB ILE 18 -6.642 0.068 6.879 125 HG12 ILE 18 HG12 ILE 18 -5.027 -0.758 8.649 126 HG13 ILE 18 HG11 ILE 18 -4.415 0.515 7.614 127 HG21 ILE 18 HG21 ILE 18 -6.857 2.418 8.754 128 HG22 ILE 18 HG22 ILE 18 -7.861 2.108 7.337 129 HG23 ILE 18 HG23 ILE 18 -6.143 2.457 7.139 130 HD11 ILE 18 HD11 ILE 18 -3.740 0.821 9.899 131 HD12 ILE 18 HD12 ILE 18 -5.418 0.735 10.459 132 HD13 ILE 18 HD13 ILE 18 -4.874 2.095 9.462 133 H ALA 19 HN ALA 19 -8.605 -1.183 6.637 134 HA ALA 19 HA ALA 19 -10.951 0.565 6.783 135 HB1 ALA 19 HB1 ALA 19 -9.773 -0.798 4.368 136 HB2 ALA 19 HB2 ALA 19 -9.536 0.893 4.809 137 HB3 ALA 19 HB3 ALA 19 -11.141 0.312 4.369 138 H GLY 20 HN GLY 20 -10.339 -2.517 5.172 139 HA2 GLY 20 HA2 GLY 20 -11.695 -4.339 6.498 140 HA3 GLY 20 HA1 GLY 20 -13.037 -3.355 5.942 141 H ILE 21 HN ILE 21 -10.065 -4.479 4.501 142 HA ILE 21 HA ILE 21 -11.595 -5.415 2.233 143 HB ILE 21 HB ILE 21 -8.896 -4.399 2.646 144 HG12 ILE 21 HG12 ILE 21 -9.135 -3.700 0.310 145 HG13 ILE 21 HG11 ILE 21 -10.624 -4.641 0.200 146 HG21 ILE 21 HG21 ILE 21 -9.108 -6.766 0.803 147 HG22 ILE 21 HG22 ILE 21 -8.110 -6.622 2.248 148 HG23 ILE 21 HG23 ILE 21 -7.771 -5.618 0.846 149 HD11 ILE 21 HD11 ILE 21 -10.153 -2.255 1.979 150 HD12 ILE 21 HD12 ILE 21 -11.644 -3.188 1.884 151 HD13 ILE 21 HD13 ILE 21 -11.087 -2.271 0.483 152 HA PRO 22 HA PRO 22 -11.105 -9.615 3.528 153 HB2 PRO 22 HB2 PRO 22 -11.375 -10.428 0.799 154 HB3 PRO 22 HB1 PRO 22 -12.616 -10.505 2.097 155 HG2 PRO 22 HG2 PRO 22 -12.700 -8.878 -0.098 156 HG3 PRO 22 HG1 PRO 22 -13.466 -8.415 1.450 157 HD2 PRO 22 HD2 PRO 22 -10.840 -7.637 0.232 158 HD3 PRO 22 HD1 PRO 22 -12.039 -6.636 1.080 159 H VAL 23 HN VAL 23 -8.599 -8.339 2.475 160 HA VAL 23 HA VAL 23 -6.401 -8.809 2.181 161 HB VAL 23 HB VAL 23 -6.915 -10.054 4.290 162 HG11 VAL 23 HG11 VAL 23 -6.687 -12.482 4.376 163 HG12 VAL 23 HG12 VAL 23 -6.731 -12.527 2.613 164 HG13 VAL 23 HG13 VAL 23 -8.129 -11.940 3.515 165 HG21 VAL 23 HG21 VAL 23 -4.719 -11.160 4.489 166 HG22 VAL 23 HG22 VAL 23 -4.622 -9.566 3.739 167 HG23 VAL 23 HG23 VAL 23 -4.517 -11.018 2.741 168 H GLU 24 HN GLU 24 -8.315 -10.309 -0.007 169 HA GLU 24 HA GLU 24 -5.936 -11.602 -1.209 170 HB2 GLU 24 HB2 GLU 24 -8.848 -12.251 -1.527 171 HB3 GLU 24 HB1 GLU 24 -7.557 -13.065 -2.417 172 HG2 GLU 24 HG2 GLU 24 -6.633 -13.872 -0.299 173 HG3 GLU 24 HG1 GLU 24 -7.908 -13.030 0.578 174 H ASP 25 HN ASP 25 -8.080 -9.166 -1.445 175 HA ASP 25 HA ASP 25 -8.340 -8.925 -4.306 176 HB2 ASP 25 HB2 ASP 25 -9.114 -6.932 -2.194 177 HB3 ASP 25 HB1 ASP 25 -9.847 -7.201 -3.778 178 H VAL 26 HN VAL 26 -6.553 -7.632 -1.721 179 HA VAL 26 HA VAL 26 -5.485 -5.289 -3.020 180 HB VAL 26 HB VAL 26 -4.211 -6.839 -0.737 181 HG11 VAL 26 HG11 VAL 26 -2.692 -5.227 -1.752 182 HG12 VAL 26 HG12 VAL 26 -3.200 -4.692 -0.142 183 HG13 VAL 26 HG13 VAL 26 -3.909 -3.961 -1.586 184 HG21 VAL 26 HG21 VAL 26 -5.340 -5.282 0.752 185 HG22 VAL 26 HG22 VAL 26 -6.487 -6.245 -0.177 186 HG23 VAL 26 HG23 VAL 26 -6.173 -4.570 -0.627 187 H LYS 27 HN LYS 27 -4.601 -5.767 -4.982 188 HA LYS 27 HA LYS 27 -2.160 -7.352 -4.989 189 HB2 LYS 27 HB2 LYS 27 -4.438 -7.545 -6.937 190 HB3 LYS 27 HB1 LYS 27 -2.833 -8.163 -7.276 191 HG2 LYS 27 HG2 LYS 27 -3.050 -9.669 -5.342 192 HG3 LYS 27 HG1 LYS 27 -4.676 -9.043 -5.062 193 HD2 LYS 27 HD2 LYS 27 -5.357 -9.824 -7.253 194 HD3 LYS 27 HD1 LYS 27 -3.693 -10.380 -7.534 195 HE2 LYS 27 HE2 LYS 27 -3.884 -11.971 -5.709 196 HE3 LYS 27 HE1 LYS 27 -5.484 -11.360 -5.306 197 HZ1 LYS 27 HZ1 LYS 27 -5.571 -13.424 -6.526 198 HZ2 LYS 27 HZ2 LYS 27 -4.756 -12.711 -7.840 199 HZ3 LYS 27 HZ3 LYS 27 -6.307 -12.163 -7.384 200 H LEU 28 HN LEU 28 -1.049 -6.919 -7.101 201 HA LEU 28 HA LEU 28 -0.587 -4.128 -7.333 202 HB2 LEU 28 HB2 LEU 28 0.269 -6.454 -9.073 203 HB3 LEU 28 HB1 LEU 28 0.687 -4.809 -9.471 204 HG LEU 28 HG LEU 28 2.046 -4.662 -7.372 205 HD11 LEU 28 HD11 LEU 28 1.343 -7.551 -7.016 206 HD12 LEU 28 HD12 LEU 28 0.813 -6.199 -6.009 207 HD13 LEU 28 HD13 LEU 28 2.523 -6.622 -6.083 208 HD21 LEU 28 HD21 LEU 28 2.693 -7.024 -9.115 209 HD22 LEU 28 HD22 LEU 28 3.823 -6.148 -8.082 210 HD23 LEU 28 HD23 LEU 28 3.084 -5.342 -9.463 211 H ASP 29 HN ASP 29 -1.128 -2.682 -8.859 212 HA ASP 29 HA ASP 29 -2.268 -1.631 -10.501 213 HB2 ASP 29 HB2 ASP 29 -1.998 -3.767 -11.889 214 HB3 ASP 29 HB1 ASP 29 -3.530 -4.255 -11.200 215 H LYS 30 HN LYS 30 -3.427 -2.953 -7.822 216 HA LYS 30 HA LYS 30 -6.188 -2.186 -8.350 217 HB2 LYS 30 HB2 LYS 30 -5.056 -3.334 -5.802 218 HB3 LYS 30 HB1 LYS 30 -6.672 -2.708 -6.194 219 HG2 LYS 30 HG2 LYS 30 -5.520 -5.039 -7.701 220 HG3 LYS 30 HG1 LYS 30 -6.374 -5.220 -6.157 221 HD2 LYS 30 HD2 LYS 30 -8.283 -3.952 -7.168 222 HD3 LYS 30 HD1 LYS 30 -7.461 -4.093 -8.724 223 HE2 LYS 30 HE2 LYS 30 -8.189 -6.435 -6.984 224 HE3 LYS 30 HE1 LYS 30 -9.218 -5.814 -8.272 225 HZ1 LYS 30 HZ1 LYS 30 -7.643 -6.405 -9.871 226 HZ2 LYS 30 HZ2 LYS 30 -7.722 -7.768 -8.886 227 HZ3 LYS 30 HZ3 LYS 30 -6.432 -6.709 -8.785 228 H SER 31 HN SER 31 -6.797 -0.505 -7.942 229 HA SER 31 HA SER 31 -5.170 1.702 -7.051 230 HB2 SER 31 HB2 SER 31 -8.020 1.609 -7.946 231 HB3 SER 31 HB1 SER 31 -6.999 3.051 -7.901 232 HG SER 31 HG SER 31 -6.966 0.809 -9.572 233 H PHE 32 HN PHE 32 -6.161 -0.198 -4.956 234 HA PHE 32 HA PHE 32 -7.130 -0.345 -2.902 235 HB2 PHE 32 HB2 PHE 32 -5.931 2.413 -2.801 236 HB3 PHE 32 HB1 PHE 32 -6.556 1.572 -1.402 237 HD1 PHE 32 HD1 PHE 32 -3.837 1.765 -3.834 238 HD2 PHE 32 HD2 PHE 32 -5.298 -0.297 -0.389 239 HE1 PHE 32 HE1 PHE 32 -1.622 0.808 -3.433 240 HE2 PHE 32 HE2 PHE 32 -3.114 -1.236 -0.023 241 HZ PHE 32 HZ PHE 32 -1.254 -0.688 -1.527 242 H THR 33 HN THR 33 -7.790 3.059 -2.944 243 HA THR 33 HA THR 33 -10.415 2.771 -1.993 244 HB THR 33 HB THR 33 -9.159 4.823 -1.571 245 HG1 THR 33 HG1 THR 33 -11.512 4.957 -1.744 246 HG21 THR 33 HG21 THR 33 -8.736 6.474 -3.336 247 HG22 THR 33 HG22 THR 33 -9.376 5.348 -4.536 248 HG23 THR 33 HG23 THR 33 -7.897 4.957 -3.659 249 H ASP 34 HN ASP 34 -9.129 2.980 -5.212 250 HA ASP 34 HA ASP 34 -11.754 3.483 -6.365 251 HB2 ASP 34 HB2 ASP 34 -9.862 4.653 -7.336 252 HB3 ASP 34 HB1 ASP 34 -9.062 3.138 -7.677 253 H ASP 35 HN ASP 35 -9.412 0.907 -6.216 254 HA ASP 35 HA ASP 35 -11.195 -0.772 -7.806 255 HB2 ASP 35 HB2 ASP 35 -8.363 -1.071 -6.993 256 HB3 ASP 35 HB1 ASP 35 -9.279 -2.523 -7.342 257 H LEU 36 HN LEU 36 -9.955 -0.656 -4.523 258 HA LEU 36 HA LEU 36 -11.161 -3.246 -3.997 259 HB2 LEU 36 HB2 LEU 36 -9.744 -1.453 -2.038 260 HB3 LEU 36 HB1 LEU 36 -10.054 -3.170 -1.853 261 HG LEU 36 HG LEU 36 -8.120 -1.802 -3.678 262 HD11 LEU 36 HD11 LEU 36 -7.704 -3.669 -1.369 263 HD12 LEU 36 HD12 LEU 36 -7.381 -1.936 -1.402 264 HD13 LEU 36 HD13 LEU 36 -6.432 -3.031 -2.409 265 HD21 LEU 36 HD21 LEU 36 -8.738 -4.741 -3.497 266 HD22 LEU 36 HD22 LEU 36 -7.400 -3.993 -4.394 267 HD23 LEU 36 HD23 LEU 36 -9.069 -3.648 -4.854 268 H ASP 37 HN ASP 37 -11.177 -0.166 -2.237 269 HA ASP 37 HA ASP 37 -13.825 0.509 -1.974 270 HB2 ASP 37 HB2 ASP 37 -14.303 -1.807 -1.176 271 HB3 ASP 37 HB1 ASP 37 -13.163 -1.585 0.141 272 H VAL 38 HN VAL 38 -10.730 0.105 -0.621 273 HA VAL 38 HA VAL 38 -10.701 0.966 1.947 274 HB VAL 38 HB VAL 38 -8.623 1.895 0.058 275 HG11 VAL 38 HG11 VAL 38 -8.388 2.468 2.388 276 HG12 VAL 38 HG12 VAL 38 -7.134 1.309 1.938 277 HG13 VAL 38 HG13 VAL 38 -8.548 0.779 2.858 278 HG21 VAL 38 HG21 VAL 38 -9.004 -0.945 0.977 279 HG22 VAL 38 HG22 VAL 38 -7.578 -0.326 0.143 280 HG23 VAL 38 HG23 VAL 38 -9.141 -0.346 -0.675 281 H ASP 39 HN ASP 39 -11.739 2.666 2.641 282 HA ASP 39 HA ASP 39 -12.255 5.076 1.391 283 HB2 ASP 39 HB2 ASP 39 -13.376 4.395 3.434 284 HB3 ASP 39 HB1 ASP 39 -11.858 4.585 4.318 285 H SER 40 HN SER 40 -11.084 6.632 0.746 286 HA SER 40 HA SER 40 -8.516 7.176 0.668 287 HB2 SER 40 HB2 SER 40 -10.017 8.392 -0.522 288 HB3 SER 40 HB1 SER 40 -10.764 9.097 0.929 289 H LEU 41 HN LEU 41 -10.396 8.259 3.601 290 HA LEU 41 HA LEU 41 -8.012 9.608 4.325 291 HB2 LEU 41 HB2 LEU 41 -9.100 10.289 6.454 292 HB3 LEU 41 HB1 LEU 41 -9.928 10.769 5.002 293 HG LEU 41 HG LEU 41 -11.519 8.823 5.454 294 HD11 LEU 41 HD11 LEU 41 -11.698 8.096 7.775 295 HD12 LEU 41 HD12 LEU 41 -10.224 8.981 8.174 296 HD13 LEU 41 HD13 LEU 41 -10.156 7.606 7.072 297 HD21 LEU 41 HD21 LEU 41 -11.335 11.110 7.368 298 HD22 LEU 41 HD22 LEU 41 -12.804 10.182 6.999 299 HD23 LEU 41 HD23 LEU 41 -12.002 11.150 5.743 300 H SER 42 HN SER 42 -9.270 6.529 4.905 301 HA SER 42 HA SER 42 -7.540 5.916 7.120 302 HB2 SER 42 HB2 SER 42 -9.180 4.128 5.327 303 HB3 SER 42 HB1 SER 42 -8.434 3.657 6.854 304 HG SER 42 HG SER 42 -9.752 5.040 7.954 305 H MET 43 HN MET 43 -7.380 6.051 3.735 306 HA MET 43 HA MET 43 -5.673 4.011 3.011 307 HB2 MET 43 HB2 MET 43 -6.222 6.700 1.851 308 HB3 MET 43 HB1 MET 43 -5.009 5.650 1.152 309 HG2 MET 43 HG2 MET 43 -7.691 4.480 1.610 310 HG3 MET 43 HG1 MET 43 -7.513 5.668 0.323 311 HE1 MET 43 HE1 MET 43 -4.505 3.416 1.317 312 HE2 MET 43 HE2 MET 43 -4.812 1.945 0.377 313 HE3 MET 43 HE3 MET 43 -5.867 2.379 1.733 314 H VAL 44 HN VAL 44 -4.926 7.248 4.119 315 HA VAL 44 HA VAL 44 -2.193 7.213 3.633 316 HB VAL 44 HB VAL 44 -3.643 8.616 5.902 317 HG11 VAL 44 HG11 VAL 44 -0.960 9.219 4.648 318 HG12 VAL 44 HG12 VAL 44 -1.228 8.574 6.266 319 HG13 VAL 44 HG13 VAL 44 -1.770 10.202 5.867 320 HG21 VAL 44 HG21 VAL 44 -3.720 10.546 4.390 321 HG22 VAL 44 HG22 VAL 44 -4.582 9.157 3.722 322 HG23 VAL 44 HG23 VAL 44 -2.978 9.574 3.116 323 H GLU 45 HN GLU 45 -4.046 6.026 6.394 324 HA GLU 45 HA GLU 45 -1.902 5.336 8.096 325 HB2 GLU 45 HB2 GLU 45 -4.542 3.898 7.879 326 HB3 GLU 45 HB1 GLU 45 -3.439 3.881 9.239 327 HG2 GLU 45 HG2 GLU 45 -5.141 6.135 8.265 328 HG3 GLU 45 HG1 GLU 45 -5.229 5.214 9.776 329 H VAL 46 HN VAL 46 -3.692 3.574 5.638 330 HA VAL 46 HA VAL 46 -2.593 1.056 5.981 331 HB VAL 46 HB VAL 46 -3.577 2.264 3.374 332 HG11 VAL 46 HG11 VAL 46 -4.106 0.031 2.682 333 HG12 VAL 46 HG12 VAL 46 -3.573 -0.614 4.216 334 HG13 VAL 46 HG13 VAL 46 -2.392 0.119 3.109 335 HG21 VAL 46 HG21 VAL 46 -5.128 0.835 5.519 336 HG22 VAL 46 HG22 VAL 46 -5.754 1.294 3.933 337 HG23 VAL 46 HG23 VAL 46 -5.259 2.540 5.077 338 H VAL 47 HN VAL 47 -1.312 3.867 4.565 339 HA VAL 47 HA VAL 47 0.639 2.555 2.810 340 HB VAL 47 HB VAL 47 0.640 5.460 3.623 341 HG11 VAL 47 HG11 VAL 47 1.768 4.028 1.222 342 HG12 VAL 47 HG12 VAL 47 2.682 4.678 2.584 343 HG13 VAL 47 HG13 VAL 47 1.829 5.770 1.496 344 HG21 VAL 47 HG21 VAL 47 -0.593 5.923 1.585 345 HG22 VAL 47 HG22 VAL 47 -1.533 4.938 2.711 346 HG23 VAL 47 HG23 VAL 47 -0.777 4.191 1.300 347 H VAL 48 HN VAL 48 0.689 4.685 5.601 348 HA VAL 48 HA VAL 48 3.410 4.425 6.158 349 HB VAL 48 HB VAL 48 1.141 5.041 8.084 350 HG11 VAL 48 HG11 VAL 48 2.845 6.191 9.413 351 HG12 VAL 48 HG12 VAL 48 4.089 5.654 8.284 352 HG13 VAL 48 HG13 VAL 48 3.202 4.472 9.251 353 HG21 VAL 48 HG21 VAL 48 2.852 6.902 6.434 354 HG22 VAL 48 HG22 VAL 48 1.664 7.400 7.639 355 HG23 VAL 48 HG23 VAL 48 1.142 6.559 6.179 356 H ALA 49 HN ALA 49 0.579 2.478 7.080 357 HA ALA 49 HA ALA 49 1.999 1.052 8.960 358 HB1 ALA 49 HB1 ALA 49 0.082 -0.488 9.012 359 HB2 ALA 49 HB2 ALA 49 -0.573 0.311 7.584 360 HB3 ALA 49 HB3 ALA 49 -0.411 1.203 9.099 361 H ALA 50 HN ALA 50 1.393 0.795 5.571 362 HA ALA 50 HA ALA 50 2.315 -1.806 5.085 363 HB1 ALA 50 HB1 ALA 50 2.416 0.626 3.241 364 HB2 ALA 50 HB2 ALA 50 1.082 -0.502 3.333 365 HB3 ALA 50 HB3 ALA 50 2.622 -1.031 2.719 366 H GLU 51 HN GLU 51 4.048 1.298 4.859 367 HA GLU 51 HA GLU 51 6.442 -0.064 4.386 368 HB2 GLU 51 HB2 GLU 51 7.573 2.119 4.634 369 HB3 GLU 51 HB1 GLU 51 6.319 2.058 3.457 370 HG2 GLU 51 HG2 GLU 51 5.770 3.939 4.275 371 HG3 GLU 51 HG1 GLU 51 4.812 2.990 5.418 372 H GLU 52 HN GLU 52 5.093 1.109 7.387 373 HA GLU 52 HA GLU 52 7.323 0.642 9.006 374 HB2 GLU 52 HB2 GLU 52 4.385 0.451 9.599 375 HB3 GLU 52 HB1 GLU 52 5.599 0.173 10.839 376 HG2 GLU 52 HG2 GLU 52 6.457 2.462 10.384 377 HG3 GLU 52 HG1 GLU 52 5.090 2.691 9.291 378 H ARG 53 HN ARG 53 5.072 -1.578 7.605 379 HA ARG 53 HA ARG 53 6.015 -3.784 9.214 380 HB2 ARG 53 HB2 ARG 53 3.653 -3.643 8.641 381 HB3 ARG 53 HB1 ARG 53 4.050 -3.671 6.932 382 HG2 ARG 53 HG2 ARG 53 4.903 -5.940 7.161 383 HG3 ARG 53 HG1 ARG 53 4.531 -5.910 8.888 384 HD2 ARG 53 HD2 ARG 53 2.156 -5.598 8.368 385 HD3 ARG 53 HD1 ARG 53 2.552 -5.542 6.663 386 HE ARG 53 HE ARG 53 3.366 -7.861 6.953 387 HH11 ARG 53 HH11 ARG 53 1.082 -6.674 9.375 388 HH12 ARG 53 HH12 ARG 53 0.136 -8.105 9.390 389 HH21 ARG 53 HH21 ARG 53 2.095 -9.816 6.978 390 HH22 ARG 53 HH22 ARG 53 0.671 -9.901 7.901 391 H PHE 54 HN PHE 54 6.505 -2.486 6.005 392 HA PHE 54 HA PHE 54 7.822 -4.958 5.152 393 HB2 PHE 54 HB2 PHE 54 7.509 -2.477 3.473 394 HB3 PHE 54 HB1 PHE 54 7.842 -4.120 2.933 395 HD1 PHE 54 HD2 PHE 54 5.807 -5.397 4.874 396 HD2 PHE 54 HD1 PHE 54 5.634 -2.194 2.112 397 HE1 PHE 54 HE2 PHE 54 3.415 -5.705 4.691 398 HE2 PHE 54 HE1 PHE 54 3.235 -2.504 1.908 399 HZ PHE 54 HZ PHE 54 2.113 -4.252 3.194 400 H ASP 55 HN ASP 55 8.631 -2.078 6.493 401 HA ASP 55 HA ASP 55 10.545 -1.295 7.353 402 HB2 ASP 55 HB2 ASP 55 11.458 -3.636 7.417 403 HB3 ASP 55 HB1 ASP 55 12.094 -3.403 5.800 404 H VAL 56 HN VAL 56 9.471 -0.920 4.369 405 HA VAL 56 HA VAL 56 11.703 0.635 3.401 406 HB VAL 56 HB VAL 56 10.151 -0.599 1.840 407 HG11 VAL 56 HG11 VAL 56 8.118 1.382 2.756 408 HG12 VAL 56 HG12 VAL 56 8.118 -0.358 3.042 409 HG13 VAL 56 HG13 VAL 56 7.938 0.268 1.402 410 HG21 VAL 56 HG21 VAL 56 9.800 1.123 0.218 411 HG22 VAL 56 HG22 VAL 56 11.392 1.276 0.964 412 HG23 VAL 56 HG23 VAL 56 10.080 2.376 1.434 413 H LYS 57 HN LYS 57 11.106 3.078 2.858 414 HA LYS 57 HA LYS 57 9.378 4.106 4.978 415 HB2 LYS 57 HB2 LYS 57 11.708 4.612 5.596 416 HB3 LYS 57 HB1 LYS 57 11.997 5.325 4.013 417 HG2 LYS 57 HG2 LYS 57 11.670 7.044 5.716 418 HG3 LYS 57 HG1 LYS 57 10.382 7.098 4.506 419 HD2 LYS 57 HD2 LYS 57 9.224 5.443 6.226 420 HD3 LYS 57 HD1 LYS 57 10.279 6.290 7.362 421 HE2 LYS 57 HE2 LYS 57 9.308 8.405 6.782 422 HE3 LYS 57 HE1 LYS 57 8.445 7.660 5.427 423 HZ1 LYS 57 HZ1 LYS 57 7.902 7.206 8.320 424 HZ2 LYS 57 HZ2 LYS 57 7.308 6.275 7.041 425 HZ3 LYS 57 HZ3 LYS 57 6.858 7.880 7.142 426 H ILE 58 HN ILE 58 7.752 5.255 4.243 427 HA ILE 58 HA ILE 58 7.967 6.268 1.494 428 HB ILE 58 HB ILE 58 5.452 5.233 2.857 429 HG12 ILE 58 HG12 ILE 58 7.067 4.010 0.602 430 HG13 ILE 58 HG11 ILE 58 7.074 3.446 2.267 431 HG21 ILE 58 HG21 ILE 58 4.418 5.483 0.635 432 HG22 ILE 58 HG22 ILE 58 5.922 6.168 0.018 433 HG23 ILE 58 HG23 ILE 58 5.003 7.032 1.250 434 HD11 ILE 58 HD11 ILE 58 4.704 2.888 2.074 435 HD12 ILE 58 HD12 ILE 58 5.694 2.047 0.885 436 HD13 ILE 58 HD13 ILE 58 4.717 3.438 0.395 437 HA PRO 59 HA PRO 59 7.268 10.161 3.709 438 HB2 PRO 59 HB2 PRO 59 7.455 11.669 1.448 439 HB3 PRO 59 HB1 PRO 59 8.884 11.125 2.355 440 HG2 PRO 59 HG2 PRO 59 7.587 9.968 -0.069 441 HG3 PRO 59 HG1 PRO 59 9.324 10.235 0.236 442 HD2 PRO 59 HD2 PRO 59 8.223 7.805 0.503 443 HD3 PRO 59 HD1 PRO 59 9.457 8.378 1.643 444 H ASP 60 HN ASP 60 5.591 11.719 3.571 445 HA ASP 60 HA ASP 60 3.083 10.665 2.908 446 HB2 ASP 60 HB2 ASP 60 2.108 12.797 3.491 447 HB3 ASP 60 HB1 ASP 60 3.404 12.433 4.622 448 H ASP 61 HN ASP 61 5.248 12.666 1.014 449 HA ASP 61 HA ASP 61 3.273 13.208 -0.917 450 HB2 ASP 61 HB2 ASP 61 6.252 13.552 -1.013 451 HB3 ASP 61 HB1 ASP 61 5.265 13.810 -2.446 452 H ASP 62 HN ASP 62 5.518 10.562 -0.561 453 HA ASP 62 HA ASP 62 4.810 9.630 -3.192 454 HB2 ASP 62 HB2 ASP 62 6.480 8.337 -1.053 455 HB3 ASP 62 HB1 ASP 62 5.987 7.462 -2.501 456 H VAL 63 HN VAL 63 3.709 9.184 -0.013 457 HA VAL 63 HA VAL 63 1.926 7.058 -0.263 458 HB VAL 63 HB VAL 63 1.487 9.763 1.096 459 HG11 VAL 63 HG11 VAL 63 -0.651 8.680 0.787 460 HG12 VAL 63 HG12 VAL 63 -0.191 8.683 2.489 461 HG13 VAL 63 HG13 VAL 63 -0.032 7.209 1.535 462 HG21 VAL 63 HG21 VAL 63 2.438 7.144 2.237 463 HG22 VAL 63 HG22 VAL 63 2.109 8.608 3.163 464 HG23 VAL 63 HG23 VAL 63 3.412 8.591 1.973 465 H LYS 64 HN LYS 64 1.694 10.374 -1.363 466 HA LYS 64 HA LYS 64 -0.934 10.301 -2.482 467 HB2 LYS 64 HB2 LYS 64 1.326 12.090 -3.128 468 HB3 LYS 64 HB1 LYS 64 -0.368 12.443 -3.426 469 HG2 LYS 64 HG2 LYS 64 -0.796 12.675 -1.069 470 HG3 LYS 64 HG1 LYS 64 0.815 12.068 -0.671 471 HD2 LYS 64 HD2 LYS 64 1.780 14.036 -1.867 472 HD3 LYS 64 HD1 LYS 64 0.143 14.659 -2.064 473 HE2 LYS 64 HE2 LYS 64 -0.130 14.831 0.328 474 HE3 LYS 64 HE1 LYS 64 1.427 14.047 0.595 475 HZ1 LYS 64 HZ1 LYS 64 1.612 16.499 0.809 476 HZ2 LYS 64 HZ2 LYS 64 1.069 16.671 -0.776 477 HZ3 LYS 64 HZ3 LYS 64 2.519 15.914 -0.476 478 H ASN 65 HN ASN 65 2.040 9.033 -3.614 479 HA ASN 65 HA ASN 65 1.421 9.433 -6.435 480 HB2 ASN 65 HB2 ASN 65 3.837 8.659 -4.909 481 HB3 ASN 65 HB1 ASN 65 3.702 8.221 -6.582 482 HD21 ASN 65 HD21 ASN 65 3.922 11.031 -4.405 483 HD22 ASN 65 HD22 ASN 65 4.354 12.143 -5.643 484 H LEU 66 HN LEU 66 1.899 6.931 -4.010 485 HA LEU 66 HA LEU 66 1.629 4.763 -5.776 486 HB2 LEU 66 HB2 LEU 66 0.856 4.810 -2.843 487 HB3 LEU 66 HB1 LEU 66 1.346 3.425 -3.787 488 HG LEU 66 HG LEU 66 3.079 5.632 -2.685 489 HD11 LEU 66 HD11 LEU 66 2.544 3.925 -1.098 490 HD12 LEU 66 HD12 LEU 66 4.247 3.791 -1.562 491 HD13 LEU 66 HD13 LEU 66 3.079 2.661 -2.213 492 HD21 LEU 66 HD21 LEU 66 3.880 5.144 -4.929 493 HD22 LEU 66 HD22 LEU 66 3.911 3.420 -4.554 494 HD23 LEU 66 HD23 LEU 66 5.004 4.524 -3.720 495 H LYS 67 HN LYS 67 -0.161 4.483 -6.865 496 HA LYS 67 HA LYS 67 -2.669 5.466 -5.668 497 HB2 LYS 67 HB2 LYS 67 -2.187 5.021 -8.646 498 HB3 LYS 67 HB1 LYS 67 -3.629 5.686 -7.874 499 HG2 LYS 67 HG2 LYS 67 -0.927 6.984 -7.733 500 HG3 LYS 67 HG1 LYS 67 -2.177 7.397 -8.907 501 HD2 LYS 67 HD2 LYS 67 -2.823 7.389 -5.997 502 HD3 LYS 67 HD1 LYS 67 -1.924 8.754 -6.659 503 HE2 LYS 67 HE2 LYS 67 -4.338 9.229 -6.582 504 HE3 LYS 67 HE1 LYS 67 -3.759 9.191 -8.239 505 HZ1 LYS 67 HZ1 LYS 67 -5.907 8.056 -7.938 506 HZ2 LYS 67 HZ2 LYS 67 -5.198 6.912 -6.926 507 HZ3 LYS 67 HZ3 LYS 67 -4.723 7.060 -8.542 508 H THR 68 HN THR 68 -1.114 2.707 -7.147 509 HA THR 68 HA THR 68 -3.421 1.141 -6.369 510 HB THR 68 HB THR 68 -2.756 -0.469 -8.003 511 HG1 THR 68 HG1 THR 68 -0.948 1.325 -9.187 512 HG21 THR 68 HG21 THR 68 -3.241 0.764 -10.099 513 HG22 THR 68 HG22 THR 68 -2.940 2.284 -9.256 514 HG23 THR 68 HG23 THR 68 -4.302 1.267 -8.784 515 H VAL 69 HN VAL 69 -2.575 -1.174 -6.031 516 HA VAL 69 HA VAL 69 -0.454 -1.110 -4.124 517 HB VAL 69 HB VAL 69 -1.590 -3.598 -5.372 518 HG11 VAL 69 HG11 VAL 69 -0.537 -3.062 -2.606 519 HG12 VAL 69 HG12 VAL 69 0.279 -3.942 -3.893 520 HG13 VAL 69 HG13 VAL 69 -1.195 -4.601 -3.179 521 HG21 VAL 69 HG21 VAL 69 -3.381 -3.547 -3.674 522 HG22 VAL 69 HG22 VAL 69 -3.424 -2.234 -4.873 523 HG23 VAL 69 HG23 VAL 69 -2.832 -1.900 -3.253 524 H GLY 70 HN GLY 70 -0.719 -1.294 -7.439 525 HA2 GLY 70 HA2 GLY 70 1.583 -2.907 -8.022 526 HA3 GLY 70 HA1 GLY 70 0.796 -1.773 -9.120 527 H ASP 71 HN ASP 71 0.926 0.482 -7.852 528 HA ASP 71 HA ASP 71 3.600 1.332 -8.352 529 HB2 ASP 71 HB2 ASP 71 1.306 2.755 -8.367 530 HB3 ASP 71 HB1 ASP 71 1.747 2.993 -6.702 531 H ALA 72 HN ALA 72 1.687 0.881 -5.443 532 HA ALA 72 HA ALA 72 3.405 1.823 -3.440 533 HB1 ALA 72 HB1 ALA 72 1.045 1.076 -3.066 534 HB2 ALA 72 HB2 ALA 72 2.213 0.343 -1.952 535 HB3 ALA 72 HB3 ALA 72 1.608 -0.591 -3.282 536 H THR 73 HN THR 73 2.871 -1.493 -4.331 537 HA THR 73 HA THR 73 4.773 -2.596 -2.819 538 HB THR 73 HB THR 73 3.724 -3.617 -5.452 539 HG1 THR 73 HG1 THR 73 2.010 -3.488 -4.273 540 HG21 THR 73 HG21 THR 73 5.677 -4.821 -4.703 541 HG22 THR 73 HG22 THR 73 4.214 -5.820 -4.464 542 HG23 THR 73 HG23 THR 73 4.963 -4.950 -3.100 543 H LYS 74 HN LYS 74 5.185 -1.491 -6.174 544 HA LYS 74 HA LYS 74 7.739 -2.521 -6.619 545 HB2 LYS 74 HB2 LYS 74 5.951 -0.523 -7.738 546 HB3 LYS 74 HB1 LYS 74 7.653 -0.248 -8.093 547 HG2 LYS 74 HG2 LYS 74 6.647 -1.489 -9.923 548 HG3 LYS 74 HG1 LYS 74 7.789 -2.511 -9.052 549 HD2 LYS 74 HD2 LYS 74 5.918 -3.569 -7.870 550 HD3 LYS 74 HD1 LYS 74 4.789 -2.542 -8.755 551 HE2 LYS 74 HE2 LYS 74 4.871 -4.722 -9.796 552 HE3 LYS 74 HE1 LYS 74 5.596 -3.530 -10.872 553 HZ1 LYS 74 HZ1 LYS 74 7.792 -4.305 -10.235 554 HZ2 LYS 74 HZ2 LYS 74 6.855 -5.647 -10.685 555 HZ3 LYS 74 HZ3 LYS 74 7.110 -5.302 -9.061 556 H TYR 75 HN TYR 75 6.544 0.592 -5.563 557 HA TYR 75 HA TYR 75 8.879 1.998 -5.205 558 HB2 TYR 75 HB2 TYR 75 6.511 2.842 -5.027 559 HB3 TYR 75 HB1 TYR 75 6.430 2.047 -3.498 560 HD1 TYR 75 HD1 TYR 75 8.265 4.731 -5.214 561 HD2 TYR 75 HD2 TYR 75 7.217 2.969 -1.504 562 HE1 TYR 75 HE1 TYR 75 9.144 6.662 -4.086 563 HE2 TYR 75 HE2 TYR 75 8.108 4.922 -0.321 564 HH TYR 75 HH TYR 75 9.751 6.740 -0.751 565 H ILE 76 HN ILE 76 7.031 0.142 -2.934 566 HA ILE 76 HA ILE 76 8.549 0.385 -0.666 567 HB ILE 76 HB ILE 76 6.721 -1.788 -1.651 568 HG12 ILE 76 HG12 ILE 76 6.311 0.235 0.514 569 HG13 ILE 76 HG11 ILE 76 5.971 0.581 -1.180 570 HG21 ILE 76 HG21 ILE 76 6.619 -2.562 0.680 571 HG22 ILE 76 HG22 ILE 76 7.965 -1.482 1.081 572 HG23 ILE 76 HG23 ILE 76 8.187 -2.802 -0.082 573 HD11 ILE 76 HD11 ILE 76 3.968 -0.100 0.022 574 HD12 ILE 76 HD12 ILE 76 4.773 -1.638 0.439 575 HD13 ILE 76 HD13 ILE 76 4.442 -1.230 -1.254 576 H LEU 77 HN LEU 77 8.500 -2.509 -2.831 577 HA LEU 77 HA LEU 77 10.543 -3.922 -1.725 578 HB2 LEU 77 HB2 LEU 77 8.913 -4.662 -3.408 579 HB3 LEU 77 HB1 LEU 77 9.678 -3.663 -4.602 580 HG LEU 77 HG LEU 77 10.959 -6.117 -3.362 581 HD11 LEU 77 HD11 LEU 77 10.324 -7.160 -5.491 582 HD12 LEU 77 HD12 LEU 77 9.477 -5.649 -5.908 583 HD13 LEU 77 HD13 LEU 77 8.927 -6.618 -4.539 584 HD21 LEU 77 HD21 LEU 77 12.455 -6.027 -5.307 585 HD22 LEU 77 HD22 LEU 77 12.582 -4.524 -4.392 586 HD23 LEU 77 HD23 LEU 77 11.644 -4.570 -5.886 587 H ASP 78 HN ASP 78 10.593 -1.406 -4.139 588 HA ASP 78 HA ASP 78 13.257 -1.824 -5.016 589 HB2 ASP 78 HB2 ASP 78 11.876 -1.007 -6.596 590 HB3 ASP 78 HB1 ASP 78 11.115 0.221 -5.633 591 H HIS 79 HN HIS 79 11.835 -0.004 -2.523 592 HA HIS 79 HA HIS 79 14.353 1.394 -2.131 593 HB2 HIS 79 HB2 HIS 79 11.589 1.966 -1.119 594 HB3 HIS 79 HB1 HIS 79 13.004 2.720 -0.402 595 HD1 HIS 79 HD1 HIS 79 13.870 4.784 -1.559 596 HD2 HIS 79 HD2 HIS 79 11.194 2.671 -3.930 597 HE1 HIS 79 HE1 HIS 79 13.379 6.268 -3.518 598 HE2 HIS 79 HE2 HIS 79 11.627 5.061 -4.830 599 H GLN 80 HN GLN 80 12.885 -1.408 -1.051 600 HA GLN 80 HA GLN 80 14.456 -1.224 1.408 601 HB2 GLN 80 HB2 GLN 80 13.109 -3.331 2.216 602 HB3 GLN 80 HB1 GLN 80 12.423 -1.728 2.378 603 HG2 GLN 80 HG2 GLN 80 10.752 -2.201 1.106 604 HG3 GLN 80 HG1 GLN 80 11.721 -3.028 -0.128 605 HE21 GLN 80 HE21 GLN 80 9.180 -3.599 1.026 606 HE22 GLN 80 HE22 GLN 80 9.229 -5.195 1.712 607 H ALA 81 HN ALA 81 13.492 -4.060 -0.002 608 HA ALA 81 HA ALA 81 16.247 -4.917 0.292 609 HB1 ALA 81 HB1 ALA 81 13.811 -6.630 -0.167 610 HB2 ALA 81 HB2 ALA 81 14.565 -6.299 1.391 611 HB3 ALA 81 HB3 ALA 81 15.437 -7.221 0.167 612 H1 SYO 101 H1A SYO 101 -3.763 5.892 0.430 613 H1A SYO 101 H1B SYO 101 -2.169 6.673 0.418 614 H2 SYO 101 H2A SYO 101 -2.181 6.919 -1.782 615 H2A SYO 101 H2B SYO 101 -3.949 6.758 -2.004 616 H4 SYO 101 H4A SYO 101 -0.826 5.116 -1.333 617 H4A SYO 101 H4B SYO 101 -1.202 4.037 -2.671 618 H5 SYO 101 H5A SYO 101 -2.006 2.353 -1.163 619 H5A SYO 101 H5B SYO 101 -1.787 3.440 0.215 620 H6 SYO 101 H6A SYO 101 0.622 3.534 -0.293 621 H6A SYO 101 H6B SYO 101 0.366 2.379 -1.600 622 H7 SYO 101 H7A SYO 101 -0.365 0.695 -0.033 623 H7A SYO 101 H7B SYO 101 -0.232 1.858 1.305 624 H8 SYO 101 H8C SYO 101 1.729 0.397 1.174 625 H8A SYO 101 H8A SYO 101 2.158 2.075 0.843 626 H8B SYO 101 H8B SYO 101 2.005 0.924 -0.486 627 H28 SYO 101 H28A SYO 101 -7.279 12.145 -1.154 628 H28A SYO 101 H28B SYO 101 -7.559 10.463 -1.569 629 H30 SYO 101 H30A SYO 101 -8.208 13.846 -2.874 630 H30A SYO 101 H30B SYO 101 -9.709 12.920 -2.882 631 H30B SYO 101 H30C SYO 101 -8.893 13.282 -4.416 632 H31 SYO 101 H31A SYO 101 -6.051 10.983 -3.690 633 H31A SYO 101 H31B SYO 101 -6.056 12.711 -3.337 634 H31B SYO 101 H31C SYO 101 -6.677 12.116 -4.880 635 H32 SYO 101 H32A SYO 101 -9.550 10.221 -3.271 636 HO33 SYO 101 H33A SYO 101 -8.870 10.512 -5.857 637 HN36 SYO 101 H36A SYO 101 -7.494 9.337 -2.334 638 H37 SYO 101 H37A SYO 101 -6.126 7.482 -2.182 639 H37A SYO 101 H37B SYO 101 -6.900 6.886 -3.647 640 H38 SYO 101 H38A SYO 101 -4.487 7.143 -3.877 641 H38A SYO 101 H38B SYO 101 -5.345 8.174 -5.039 642 HN41 SYO 101 H41A SYO 101 -4.686 8.561 -1.681 643 H42 SYO 101 H42A SYO 101 -2.796 10.756 -2.060 644 H42A SYO 101 H42B SYO 101 -4.206 10.911 -1.038 645 H43 SYO 101 H43A SYO 101 -2.504 10.267 0.458 646 H43A SYO 101 H43B SYO 101 -1.964 9.032 -0.662 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 13.992 -5.625 6.089 2 H2 ALA 1 HT2 ALA 1 13.724 -7.272 5.833 3 H3 ALA 1 HT3 ALA 1 12.420 -6.269 6.106 4 HA ALA 1 HA ALA 1 12.775 -5.159 4.000 5 HB1 ALA 1 HB1 ALA 1 14.416 -6.047 2.446 6 HB2 ALA 1 HB2 ALA 1 14.973 -7.195 3.661 7 HB3 ALA 1 HB3 ALA 1 15.216 -5.463 3.905 8 H ALA 2 HN ALA 2 11.237 -5.756 2.720 9 HA ALA 2 HA ALA 2 10.485 -8.587 2.703 10 HB1 ALA 2 HB1 ALA 2 8.167 -7.871 2.913 11 HB2 ALA 2 HB2 ALA 2 8.695 -6.193 3.029 12 HB3 ALA 2 HB3 ALA 2 9.126 -7.343 4.294 13 H THR 3 HN THR 3 9.864 -9.300 0.724 14 HA THR 3 HA THR 3 10.007 -7.280 -1.399 15 HB THR 3 HB THR 3 11.584 -9.188 -1.693 16 HG1 THR 3 HG1 THR 3 11.334 -8.912 -3.702 17 HG21 THR 3 HG21 THR 3 10.294 -10.956 -0.634 18 HG22 THR 3 HG22 THR 3 10.727 -11.417 -2.283 19 HG23 THR 3 HG23 THR 3 9.091 -10.867 -1.917 20 H GLN 4 HN GLN 4 8.576 -8.191 -3.332 21 HA GLN 4 HA GLN 4 6.095 -7.181 -2.720 22 HB2 GLN 4 HB2 GLN 4 6.657 -7.261 -5.031 23 HB3 GLN 4 HB1 GLN 4 6.721 -9.019 -5.029 24 HG2 GLN 4 HG2 GLN 4 4.184 -7.693 -4.256 25 HG3 GLN 4 HG1 GLN 4 4.608 -7.693 -5.951 26 HE21 GLN 4 HE21 GLN 4 2.438 -9.098 -4.255 27 HE22 GLN 4 HE22 GLN 4 2.580 -10.739 -4.707 28 H GLU 5 HN GLU 5 6.791 -10.616 -2.868 29 HA GLU 5 HA GLU 5 4.283 -11.475 -2.359 30 HB2 GLU 5 HB2 GLU 5 5.291 -13.589 -1.300 31 HB3 GLU 5 HB1 GLU 5 5.683 -13.200 -2.963 32 HG2 GLU 5 HG2 GLU 5 7.696 -13.911 -2.011 33 HG3 GLU 5 HG1 GLU 5 7.693 -12.143 -2.097 34 H GLU 6 HN GLU 6 6.455 -10.205 -0.051 35 HA GLU 6 HA GLU 6 4.835 -10.827 2.250 36 HB2 GLU 6 HB2 GLU 6 7.403 -10.540 2.088 37 HB3 GLU 6 HB1 GLU 6 7.025 -8.860 1.979 38 HG2 GLU 6 HG2 GLU 6 7.596 -9.418 4.269 39 HG3 GLU 6 HG1 GLU 6 5.950 -8.812 4.112 40 H ILE 7 HN ILE 7 5.564 -8.078 0.102 41 HA ILE 7 HA ILE 7 4.522 -6.051 1.757 42 HB ILE 7 HB ILE 7 4.958 -6.143 -1.234 43 HG12 ILE 7 HG12 ILE 7 6.611 -4.898 0.962 44 HG13 ILE 7 HG11 ILE 7 6.949 -6.465 0.232 45 HG21 ILE 7 HG21 ILE 7 4.862 -3.690 -1.131 46 HG22 ILE 7 HG22 ILE 7 4.443 -3.778 0.580 47 HG23 ILE 7 HG23 ILE 7 3.330 -4.408 -0.634 48 HD11 ILE 7 HD11 ILE 7 8.352 -4.745 -0.707 49 HD12 ILE 7 HD12 ILE 7 6.924 -3.818 -1.180 50 HD13 ILE 7 HD13 ILE 7 7.244 -5.386 -1.924 51 H VAL 8 HN VAL 8 3.272 -7.501 -1.149 52 HA VAL 8 HA VAL 8 0.705 -6.307 -0.867 53 HB VAL 8 HB VAL 8 1.488 -8.696 -2.542 54 HG11 VAL 8 HG11 VAL 8 -0.948 -8.464 -2.353 55 HG12 VAL 8 HG12 VAL 8 -0.401 -8.089 -3.987 56 HG13 VAL 8 HG13 VAL 8 -0.832 -6.785 -2.879 57 HG21 VAL 8 HG21 VAL 8 1.791 -7.086 -4.360 58 HG22 VAL 8 HG22 VAL 8 2.902 -6.829 -3.012 59 HG23 VAL 8 HG23 VAL 8 1.509 -5.776 -3.214 60 H ALA 9 HN ALA 9 2.034 -9.138 0.484 61 HA ALA 9 HA ALA 9 -0.459 -10.253 1.021 62 HB1 ALA 9 HB1 ALA 9 2.184 -10.725 2.394 63 HB2 ALA 9 HB2 ALA 9 1.509 -11.648 1.049 64 HB3 ALA 9 HB3 ALA 9 0.743 -11.711 2.637 65 H GLY 10 HN GLY 10 1.850 -8.196 2.717 66 HA2 GLY 10 HA2 GLY 10 0.503 -8.123 5.178 67 HA3 GLY 10 HA1 GLY 10 1.880 -7.152 4.703 68 H LEU 11 HN LEU 11 0.825 -5.917 2.459 69 HA LEU 11 HA LEU 11 -0.445 -3.743 3.596 70 HB2 LEU 11 HB2 LEU 11 0.775 -4.550 1.223 71 HB3 LEU 11 HB1 LEU 11 -0.823 -4.032 0.779 72 HG LEU 11 HG LEU 11 1.203 -2.386 2.309 73 HD11 LEU 11 HD11 LEU 11 1.366 -1.081 0.239 74 HD12 LEU 11 HD12 LEU 11 0.278 -2.219 -0.557 75 HD13 LEU 11 HD13 LEU 11 1.866 -2.755 -0.009 76 HD21 LEU 11 HD21 LEU 11 -1.085 -1.807 2.879 77 HD22 LEU 11 HD22 LEU 11 -1.471 -1.626 1.168 78 HD23 LEU 11 HD23 LEU 11 -0.320 -0.530 1.933 79 H ALA 12 HN ALA 12 -1.541 -6.614 1.920 80 HA ALA 12 HA ALA 12 -4.204 -5.898 1.507 81 HB1 ALA 12 HB1 ALA 12 -3.055 -8.621 2.112 82 HB2 ALA 12 HB2 ALA 12 -3.233 -7.905 0.505 83 HB3 ALA 12 HB3 ALA 12 -4.661 -8.298 1.467 84 H GLU 13 HN GLU 13 -2.625 -7.593 4.177 85 HA GLU 13 HA GLU 13 -4.881 -7.930 5.780 86 HB2 GLU 13 HB2 GLU 13 -2.004 -7.697 6.578 87 HB3 GLU 13 HB1 GLU 13 -3.300 -8.278 7.627 88 HG2 GLU 13 HG2 GLU 13 -3.738 -10.068 6.046 89 HG3 GLU 13 HG1 GLU 13 -2.388 -9.516 5.055 90 H ILE 14 HN ILE 14 -2.533 -5.398 5.699 91 HA ILE 14 HA ILE 14 -3.481 -3.811 7.793 92 HB ILE 14 HB ILE 14 -2.281 -3.030 5.135 93 HG12 ILE 14 HG12 ILE 14 -0.948 -3.137 7.827 94 HG13 ILE 14 HG11 ILE 14 -1.041 -4.542 6.781 95 HG21 ILE 14 HG21 ILE 14 -3.454 -1.117 6.132 96 HG22 ILE 14 HG22 ILE 14 -1.707 -0.890 6.210 97 HG23 ILE 14 HG23 ILE 14 -2.597 -1.381 7.652 98 HD11 ILE 14 HD11 ILE 14 1.073 -3.438 6.570 99 HD12 ILE 14 HD12 ILE 14 0.266 -1.927 6.101 100 HD13 ILE 14 HD13 ILE 14 0.150 -3.368 5.071 101 H VAL 15 HN VAL 15 -4.582 -4.051 4.444 102 HA VAL 15 HA VAL 15 -6.480 -1.924 4.608 103 HB VAL 15 HB VAL 15 -6.161 -4.160 2.567 104 HG11 VAL 15 HG11 VAL 15 -7.872 -1.697 2.415 105 HG12 VAL 15 HG12 VAL 15 -8.453 -3.354 2.584 106 HG13 VAL 15 HG13 VAL 15 -7.605 -2.862 1.116 107 HG21 VAL 15 HG21 VAL 15 -5.280 -2.410 1.153 108 HG22 VAL 15 HG22 VAL 15 -4.332 -2.634 2.630 109 HG23 VAL 15 HG23 VAL 15 -5.444 -1.257 2.489 110 H ASN 16 HN ASN 16 -6.444 -5.203 5.423 111 HA ASN 16 HA ASN 16 -9.296 -5.643 5.392 112 HB2 ASN 16 HB2 ASN 16 -7.364 -7.229 7.132 113 HB3 ASN 16 HB1 ASN 16 -8.930 -7.702 6.521 114 HD21 ASN 16 HD21 ASN 16 -8.283 -6.741 3.887 115 HD22 ASN 16 HD22 ASN 16 -7.095 -7.868 3.253 116 H GLU 17 HN GLU 17 -6.882 -4.842 7.786 117 HA GLU 17 HA GLU 17 -8.635 -4.657 10.005 118 HB2 GLU 17 HB2 GLU 17 -5.950 -3.338 9.602 119 HB3 GLU 17 HB1 GLU 17 -6.755 -3.620 11.137 120 HG2 GLU 17 HG2 GLU 17 -5.754 -5.744 9.259 121 HG3 GLU 17 HG1 GLU 17 -4.943 -5.207 10.731 122 H ILE 18 HN ILE 18 -7.108 -2.200 7.931 123 HA ILE 18 HA ILE 18 -8.221 0.084 9.187 124 HB ILE 18 HB ILE 18 -7.160 -0.311 6.382 125 HG12 ILE 18 HG12 ILE 18 -5.591 -0.677 8.351 126 HG13 ILE 18 HG11 ILE 18 -5.051 0.483 7.151 127 HG21 ILE 18 HG21 ILE 18 -7.752 2.271 7.806 128 HG22 ILE 18 HG22 ILE 18 -8.594 1.619 6.401 129 HG23 ILE 18 HG23 ILE 18 -6.908 2.123 6.263 130 HD11 ILE 18 HD11 ILE 18 -6.230 1.010 9.884 131 HD12 ILE 18 HD12 ILE 18 -5.815 2.264 8.707 132 HD13 ILE 18 HD13 ILE 18 -4.552 1.230 9.366 133 H ALA 19 HN ALA 19 -9.150 -1.561 6.143 134 HA ALA 19 HA ALA 19 -11.555 0.125 6.060 135 HB1 ALA 19 HB1 ALA 19 -11.676 -0.418 3.689 136 HB2 ALA 19 HB2 ALA 19 -10.278 -1.482 3.848 137 HB3 ALA 19 HB3 ALA 19 -10.100 0.255 4.097 138 H GLY 20 HN GLY 20 -10.691 -3.015 4.958 139 HA2 GLY 20 HA2 GLY 20 -11.909 -4.861 6.375 140 HA3 GLY 20 HA1 GLY 20 -13.342 -4.028 5.800 141 H ILE 21 HN ILE 21 -10.346 -4.951 4.299 142 HA ILE 21 HA ILE 21 -11.826 -6.054 2.066 143 HB ILE 21 HB ILE 21 -9.163 -4.912 2.479 144 HG12 ILE 21 HG12 ILE 21 -9.445 -4.124 0.203 145 HG13 ILE 21 HG11 ILE 21 -10.923 -5.071 0.048 146 HG21 ILE 21 HG21 ILE 21 -8.033 -5.977 0.588 147 HG22 ILE 21 HG22 ILE 21 -9.322 -7.179 0.519 148 HG23 ILE 21 HG23 ILE 21 -8.293 -7.068 1.944 149 HD11 ILE 21 HD11 ILE 21 -10.436 -2.774 1.939 150 HD12 ILE 21 HD12 ILE 21 -11.924 -3.719 1.849 151 HD13 ILE 21 HD13 ILE 21 -11.418 -2.733 0.474 152 HA PRO 22 HA PRO 22 -11.235 -10.201 3.373 153 HB2 PRO 22 HB2 PRO 22 -11.203 -11.103 0.652 154 HB3 PRO 22 HB1 PRO 22 -12.560 -11.179 1.831 155 HG2 PRO 22 HG2 PRO 22 -12.561 -9.635 -0.429 156 HG3 PRO 22 HG1 PRO 22 -13.400 -9.160 1.055 157 HD2 PRO 22 HD2 PRO 22 -10.762 -8.284 0.027 158 HD3 PRO 22 HD1 PRO 22 -12.065 -7.329 0.760 159 H VAL 23 HN VAL 23 -8.638 -8.858 2.468 160 HA VAL 23 HA VAL 23 -6.486 -9.300 1.781 161 HB VAL 23 HB VAL 23 -6.649 -10.253 4.119 162 HG11 VAL 23 HG11 VAL 23 -7.950 -12.206 3.820 163 HG12 VAL 23 HG12 VAL 23 -6.392 -12.629 4.527 164 HG13 VAL 23 HG13 VAL 23 -6.695 -12.940 2.817 165 HG21 VAL 23 HG21 VAL 23 -4.486 -11.416 2.374 166 HG22 VAL 23 HG22 VAL 23 -4.434 -11.338 4.138 167 HG23 VAL 23 HG23 VAL 23 -4.473 -9.852 3.188 168 H GLU 24 HN GLU 24 -8.449 -10.269 -0.068 169 HA GLU 24 HA GLU 24 -6.717 -12.027 -1.659 170 HB2 GLU 24 HB2 GLU 24 -9.606 -12.381 -0.974 171 HB3 GLU 24 HB1 GLU 24 -8.972 -13.008 -2.491 172 HG2 GLU 24 HG2 GLU 24 -7.823 -13.671 0.200 173 HG3 GLU 24 HG1 GLU 24 -9.042 -14.650 -0.630 174 H ASP 25 HN ASP 25 -7.915 -9.163 -1.404 175 HA ASP 25 HA ASP 25 -8.931 -8.889 -4.174 176 HB2 ASP 25 HB2 ASP 25 -10.336 -8.215 -2.130 177 HB3 ASP 25 HB1 ASP 25 -9.216 -6.895 -1.966 178 H VAL 26 HN VAL 26 -6.609 -7.972 -1.893 179 HA VAL 26 HA VAL 26 -5.719 -5.573 -3.238 180 HB VAL 26 HB VAL 26 -4.374 -7.085 -0.977 181 HG11 VAL 26 HG11 VAL 26 -3.411 -4.930 -0.435 182 HG12 VAL 26 HG12 VAL 26 -4.211 -4.237 -1.857 183 HG13 VAL 26 HG13 VAL 26 -2.945 -5.461 -2.065 184 HG21 VAL 26 HG21 VAL 26 -6.645 -6.537 -0.339 185 HG22 VAL 26 HG22 VAL 26 -6.387 -4.859 -0.815 186 HG23 VAL 26 HG23 VAL 26 -5.487 -5.542 0.541 187 H LYS 27 HN LYS 27 -4.900 -6.061 -5.193 188 HA LYS 27 HA LYS 27 -2.619 -7.900 -5.353 189 HB2 LYS 27 HB2 LYS 27 -4.785 -7.380 -7.404 190 HB3 LYS 27 HB1 LYS 27 -3.359 -8.365 -7.676 191 HG2 LYS 27 HG2 LYS 27 -5.552 -8.925 -5.690 192 HG3 LYS 27 HG1 LYS 27 -5.372 -9.694 -7.269 193 HD2 LYS 27 HD2 LYS 27 -3.242 -10.651 -6.576 194 HD3 LYS 27 HD1 LYS 27 -3.372 -9.832 -5.016 195 HE2 LYS 27 HE2 LYS 27 -5.388 -11.104 -4.511 196 HE3 LYS 27 HE1 LYS 27 -5.281 -11.910 -6.076 197 HZ1 LYS 27 HZ1 LYS 27 -3.235 -12.076 -3.928 198 HZ2 LYS 27 HZ2 LYS 27 -3.209 -12.940 -5.380 199 HZ3 LYS 27 HZ3 LYS 27 -4.403 -13.249 -4.243 200 H LEU 28 HN LEU 28 -1.337 -7.225 -7.342 201 HA LEU 28 HA LEU 28 -0.880 -4.449 -7.235 202 HB2 LEU 28 HB2 LEU 28 0.162 -6.568 -9.133 203 HB3 LEU 28 HB1 LEU 28 0.566 -4.875 -9.316 204 HG LEU 28 HG LEU 28 1.594 -4.965 -7.011 205 HD11 LEU 28 HD11 LEU 28 0.477 -6.880 -6.136 206 HD12 LEU 28 HD12 LEU 28 2.226 -7.096 -6.102 207 HD13 LEU 28 HD13 LEU 28 1.258 -7.919 -7.329 208 HD21 LEU 28 HD21 LEU 28 2.950 -5.031 -9.011 209 HD22 LEU 28 HD22 LEU 28 2.760 -6.783 -9.097 210 HD23 LEU 28 HD23 LEU 28 3.633 -6.056 -7.752 211 H ASP 29 HN ASP 29 -1.205 -2.937 -8.854 212 HA ASP 29 HA ASP 29 -2.322 -1.800 -10.430 213 HB2 ASP 29 HB2 ASP 29 -2.117 -3.794 -11.951 214 HB3 ASP 29 HB1 ASP 29 -3.593 -4.424 -11.259 215 H LYS 30 HN LYS 30 -3.457 -3.045 -7.758 216 HA LYS 30 HA LYS 30 -6.190 -2.130 -8.195 217 HB2 LYS 30 HB2 LYS 30 -5.086 -3.352 -5.675 218 HB3 LYS 30 HB1 LYS 30 -6.694 -2.725 -6.113 219 HG2 LYS 30 HG2 LYS 30 -5.489 -5.005 -7.640 220 HG3 LYS 30 HG1 LYS 30 -6.349 -5.244 -6.110 221 HD2 LYS 30 HD2 LYS 30 -8.310 -4.150 -7.020 222 HD3 LYS 30 HD1 LYS 30 -7.479 -3.902 -8.556 223 HE2 LYS 30 HE2 LYS 30 -7.323 -6.283 -8.904 224 HE3 LYS 30 HE1 LYS 30 -7.986 -6.597 -7.301 225 HZ1 LYS 30 HZ1 LYS 30 -10.031 -5.611 -7.963 226 HZ2 LYS 30 HZ2 LYS 30 -9.657 -6.850 -9.043 227 HZ3 LYS 30 HZ3 LYS 30 -9.436 -5.218 -9.494 228 H SER 31 HN SER 31 -6.646 -0.425 -7.783 229 HA SER 31 HA SER 31 -5.001 1.722 -6.776 230 HB2 SER 31 HB2 SER 31 -7.812 1.624 -7.772 231 HB3 SER 31 HB1 SER 31 -6.994 3.128 -7.371 232 HG SER 31 HG SER 31 -5.928 3.004 -9.167 233 H PHE 32 HN PHE 32 -5.825 -0.169 -4.736 234 HA PHE 32 HA PHE 32 -6.742 -0.393 -2.664 235 HB2 PHE 32 HB2 PHE 32 -5.452 2.304 -2.587 236 HB3 PHE 32 HB1 PHE 32 -6.107 1.529 -1.161 237 HD1 PHE 32 HD2 PHE 32 -5.034 -0.505 -0.248 238 HD2 PHE 32 HD1 PHE 32 -3.395 1.635 -3.553 239 HE1 PHE 32 HE2 PHE 32 -2.948 -1.616 0.091 240 HE2 PHE 32 HE1 PHE 32 -1.273 0.514 -3.197 241 HZ PHE 32 HZ PHE 32 -1.021 -1.122 -1.368 242 H THR 33 HN THR 33 -7.366 3.056 -2.631 243 HA THR 33 HA THR 33 -9.798 2.730 -1.313 244 HB THR 33 HB THR 33 -8.447 4.729 -1.005 245 HG1 THR 33 HG1 THR 33 -10.716 4.853 -0.779 246 HG21 THR 33 HG21 THR 33 -7.512 4.970 -3.241 247 HG22 THR 33 HG22 THR 33 -8.290 6.470 -2.737 248 HG23 THR 33 HG23 THR 33 -9.099 5.397 -3.877 249 H ASP 34 HN ASP 34 -8.942 2.885 -4.636 250 HA ASP 34 HA ASP 34 -11.705 3.360 -5.401 251 HB2 ASP 34 HB2 ASP 34 -9.129 3.483 -6.907 252 HB3 ASP 34 HB1 ASP 34 -10.671 3.453 -7.744 253 H ASP 35 HN ASP 35 -9.312 0.822 -5.505 254 HA ASP 35 HA ASP 35 -11.172 -0.815 -7.103 255 HB2 ASP 35 HB2 ASP 35 -8.283 -1.044 -6.519 256 HB3 ASP 35 HB1 ASP 35 -9.157 -2.518 -6.861 257 H LEU 36 HN LEU 36 -9.725 -0.772 -3.937 258 HA LEU 36 HA LEU 36 -10.792 -3.423 -3.313 259 HB2 LEU 36 HB2 LEU 36 -9.330 -1.579 -1.474 260 HB3 LEU 36 HB1 LEU 36 -9.483 -3.329 -1.389 261 HG LEU 36 HG LEU 36 -7.849 -1.719 -3.295 262 HD11 LEU 36 HD11 LEU 36 -7.111 -3.476 -0.988 263 HD12 LEU 36 HD12 LEU 36 -7.088 -1.718 -1.026 264 HD13 LEU 36 HD13 LEU 36 -5.961 -2.633 -2.050 265 HD21 LEU 36 HD21 LEU 36 -8.048 -4.711 -2.974 266 HD22 LEU 36 HD22 LEU 36 -6.900 -3.840 -4.006 267 HD23 LEU 36 HD23 LEU 36 -8.626 -3.760 -4.348 268 H ASP 37 HN ASP 37 -10.974 -0.048 -2.406 269 HA ASP 37 HA ASP 37 -12.596 1.215 -1.596 270 HB2 ASP 37 HB2 ASP 37 -14.437 -0.456 -2.007 271 HB3 ASP 37 HB1 ASP 37 -13.964 -1.199 -0.468 272 H VAL 38 HN VAL 38 -10.649 1.483 -0.697 273 HA VAL 38 HA VAL 38 -10.694 1.046 2.227 274 HB VAL 38 HB VAL 38 -8.439 2.319 0.665 275 HG11 VAL 38 HG11 VAL 38 -7.070 1.628 2.577 276 HG12 VAL 38 HG12 VAL 38 -8.504 0.943 3.343 277 HG13 VAL 38 HG13 VAL 38 -8.405 2.679 3.050 278 HG21 VAL 38 HG21 VAL 38 -8.719 -0.617 1.282 279 HG22 VAL 38 HG22 VAL 38 -7.277 0.163 0.631 280 HG23 VAL 38 HG23 VAL 38 -8.765 0.124 -0.317 281 H ASP 39 HN ASP 39 -10.825 2.918 3.486 282 HA ASP 39 HA ASP 39 -11.949 5.176 2.109 283 HB2 ASP 39 HB2 ASP 39 -11.161 4.841 5.018 284 HB3 ASP 39 HB1 ASP 39 -11.979 6.266 4.382 285 H SER 40 HN SER 40 -10.803 6.616 1.028 286 HA SER 40 HA SER 40 -8.214 7.065 0.710 287 HB2 SER 40 HB2 SER 40 -9.750 8.190 -0.572 288 HB3 SER 40 HB1 SER 40 -10.367 9.107 0.826 289 H LEU 41 HN LEU 41 -9.965 8.686 3.383 290 HA LEU 41 HA LEU 41 -7.570 10.016 4.075 291 HB2 LEU 41 HB2 LEU 41 -8.747 10.815 6.116 292 HB3 LEU 41 HB1 LEU 41 -9.609 11.128 4.633 293 HG LEU 41 HG LEU 41 -10.992 9.029 5.240 294 HD11 LEU 41 HD11 LEU 41 -9.838 9.654 7.944 295 HD12 LEU 41 HD12 LEU 41 -9.580 8.184 7.005 296 HD13 LEU 41 HD13 LEU 41 -11.188 8.567 7.617 297 HD21 LEU 41 HD21 LEU 41 -11.219 11.547 6.871 298 HD22 LEU 41 HD22 LEU 41 -12.493 10.350 6.626 299 HD23 LEU 41 HD23 LEU 41 -11.882 11.278 5.254 300 H SER 42 HN SER 42 -8.844 6.949 4.912 301 HA SER 42 HA SER 42 -7.080 6.464 7.139 302 HB2 SER 42 HB2 SER 42 -8.798 4.582 5.536 303 HB3 SER 42 HB1 SER 42 -8.079 4.260 7.110 304 HG SER 42 HG SER 42 -9.891 4.902 7.774 305 H MET 43 HN MET 43 -6.978 6.302 3.747 306 HA MET 43 HA MET 43 -5.389 4.119 3.156 307 HB2 MET 43 HB2 MET 43 -5.770 6.756 1.813 308 HB3 MET 43 HB1 MET 43 -4.595 5.604 1.205 309 HG2 MET 43 HG2 MET 43 -7.389 4.672 1.670 310 HG3 MET 43 HG1 MET 43 -7.003 5.716 0.295 311 HE1 MET 43 HE1 MET 43 -5.713 2.346 2.026 312 HE2 MET 43 HE2 MET 43 -4.268 3.250 1.576 313 HE3 MET 43 HE3 MET 43 -4.678 1.762 0.718 314 H VAL 44 HN VAL 44 -4.540 7.310 4.160 315 HA VAL 44 HA VAL 44 -1.844 7.257 3.748 316 HB VAL 44 HB VAL 44 -3.349 8.555 6.042 317 HG11 VAL 44 HG11 VAL 44 -0.966 8.404 6.574 318 HG12 VAL 44 HG12 VAL 44 -1.431 10.071 6.235 319 HG13 VAL 44 HG13 VAL 44 -0.563 9.132 5.019 320 HG21 VAL 44 HG21 VAL 44 -2.445 9.618 3.368 321 HG22 VAL 44 HG22 VAL 44 -3.249 10.558 4.627 322 HG23 VAL 44 HG23 VAL 44 -4.103 9.234 3.831 323 H GLU 45 HN GLU 45 -3.708 6.158 6.607 324 HA GLU 45 HA GLU 45 -1.660 5.284 8.303 325 HB2 GLU 45 HB2 GLU 45 -4.349 3.963 7.929 326 HB3 GLU 45 HB1 GLU 45 -3.301 3.827 9.328 327 HG2 GLU 45 HG2 GLU 45 -4.770 6.265 8.397 328 HG3 GLU 45 HG1 GLU 45 -5.140 5.213 9.769 329 H VAL 46 HN VAL 46 -3.444 3.616 5.787 330 HA VAL 46 HA VAL 46 -2.410 1.054 6.041 331 HB VAL 46 HB VAL 46 -3.270 2.413 3.476 332 HG11 VAL 46 HG11 VAL 46 -2.188 0.304 3.042 333 HG12 VAL 46 HG12 VAL 46 -3.917 0.194 2.721 334 HG13 VAL 46 HG13 VAL 46 -3.249 -0.500 4.198 335 HG21 VAL 46 HG21 VAL 46 -5.502 1.508 3.937 336 HG22 VAL 46 HG22 VAL 46 -4.983 2.696 5.126 337 HG23 VAL 46 HG23 VAL 46 -4.942 0.974 5.525 338 H VAL 47 HN VAL 47 -1.095 3.872 4.668 339 HA VAL 47 HA VAL 47 0.940 2.632 2.954 340 HB VAL 47 HB VAL 47 0.722 5.523 3.862 341 HG11 VAL 47 HG11 VAL 47 2.111 6.013 1.908 342 HG12 VAL 47 HG12 VAL 47 2.215 4.286 1.561 343 HG13 VAL 47 HG13 VAL 47 2.926 4.933 3.039 344 HG21 VAL 47 HG21 VAL 47 -1.281 4.890 2.675 345 HG22 VAL 47 HG22 VAL 47 -0.315 4.247 1.346 346 HG23 VAL 47 HG23 VAL 47 -0.303 5.976 1.691 347 H VAL 48 HN VAL 48 0.817 4.620 5.819 348 HA VAL 48 HA VAL 48 3.452 4.432 6.645 349 HB VAL 48 HB VAL 48 0.916 4.633 8.300 350 HG11 VAL 48 HG11 VAL 48 2.808 3.940 9.682 351 HG12 VAL 48 HG12 VAL 48 2.342 5.602 10.042 352 HG13 VAL 48 HG13 VAL 48 3.767 5.279 9.057 353 HG21 VAL 48 HG21 VAL 48 1.387 7.041 8.278 354 HG22 VAL 48 HG22 VAL 48 1.147 6.404 6.649 355 HG23 VAL 48 HG23 VAL 48 2.773 6.751 7.226 356 H ALA 49 HN ALA 49 0.684 2.283 7.233 357 HA ALA 49 HA ALA 49 1.943 0.674 9.008 358 HB1 ALA 49 HB1 ALA 49 -0.450 0.699 8.779 359 HB2 ALA 49 HB2 ALA 49 0.146 -0.947 8.565 360 HB3 ALA 49 HB3 ALA 49 -0.328 0.010 7.161 361 H ALA 50 HN ALA 50 1.640 0.613 5.542 362 HA ALA 50 HA ALA 50 2.888 -1.833 5.043 363 HB1 ALA 50 HB1 ALA 50 1.541 -0.709 3.328 364 HB2 ALA 50 HB2 ALA 50 3.165 -0.957 2.722 365 HB3 ALA 50 HB3 ALA 50 2.662 0.631 3.281 366 H GLU 51 HN GLU 51 4.214 1.504 5.047 367 HA GLU 51 HA GLU 51 6.776 0.506 4.569 368 HB2 GLU 51 HB2 GLU 51 7.662 2.795 5.186 369 HB3 GLU 51 HB1 GLU 51 6.594 2.710 3.826 370 HG2 GLU 51 HG2 GLU 51 5.777 4.462 4.712 371 HG3 GLU 51 HG1 GLU 51 4.804 3.347 5.672 372 H GLU 52 HN GLU 52 5.201 1.099 7.564 373 HA GLU 52 HA GLU 52 7.440 0.723 9.210 374 HB2 GLU 52 HB2 GLU 52 4.529 0.154 9.687 375 HB3 GLU 52 HB1 GLU 52 5.747 -0.107 10.930 376 HG2 GLU 52 HG2 GLU 52 6.328 2.324 10.680 377 HG3 GLU 52 HG1 GLU 52 4.903 2.472 9.647 378 H ARG 53 HN ARG 53 5.193 -1.610 7.820 379 HA ARG 53 HA ARG 53 6.402 -3.804 9.202 380 HB2 ARG 53 HB2 ARG 53 4.035 -3.910 8.674 381 HB3 ARG 53 HB1 ARG 53 4.380 -3.784 6.954 382 HG2 ARG 53 HG2 ARG 53 5.541 -5.941 7.035 383 HG3 ARG 53 HG1 ARG 53 5.179 -6.066 8.750 384 HD2 ARG 53 HD2 ARG 53 2.777 -6.195 8.258 385 HD3 ARG 53 HD1 ARG 53 3.089 -5.884 6.567 386 HE ARG 53 HE ARG 53 4.622 -8.036 7.005 387 HH11 ARG 53 HH11 ARG 53 1.196 -7.518 7.860 388 HH12 ARG 53 HH12 ARG 53 0.684 -9.045 7.295 389 HH21 ARG 53 HH21 ARG 53 3.880 -10.163 6.176 390 HH22 ARG 53 HH22 ARG 53 2.258 -10.586 6.381 391 H PHE 54 HN PHE 54 6.611 -2.584 5.866 392 HA PHE 54 HA PHE 54 8.210 -4.906 5.179 393 HB2 PHE 54 HB2 PHE 54 7.477 -2.661 3.313 394 HB3 PHE 54 HB1 PHE 54 7.994 -4.298 2.895 395 HD1 PHE 54 HD2 PHE 54 6.497 -6.017 4.488 396 HD2 PHE 54 HD1 PHE 54 5.267 -2.377 2.717 397 HE1 PHE 54 HE2 PHE 54 4.234 -6.841 4.406 398 HE2 PHE 54 HE1 PHE 54 2.960 -3.204 2.626 399 HZ PHE 54 HZ PHE 54 2.349 -5.172 3.734 400 H ASP 55 HN ASP 55 8.782 -1.988 6.394 401 HA ASP 55 HA ASP 55 10.723 -1.039 7.161 402 HB2 ASP 55 HB2 ASP 55 12.161 -3.092 5.503 403 HB3 ASP 55 HB1 ASP 55 13.015 -1.779 6.287 404 H VAL 56 HN VAL 56 9.412 -0.419 4.382 405 HA VAL 56 HA VAL 56 11.599 1.197 3.402 406 HB VAL 56 HB VAL 56 9.961 0.038 1.872 407 HG11 VAL 56 HG11 VAL 56 7.781 1.002 1.481 408 HG12 VAL 56 HG12 VAL 56 8.016 2.052 2.878 409 HG13 VAL 56 HG13 VAL 56 7.959 0.299 3.085 410 HG21 VAL 56 HG21 VAL 56 11.278 1.943 1.058 411 HG22 VAL 56 HG22 VAL 56 9.917 3.024 1.462 412 HG23 VAL 56 HG23 VAL 56 9.724 1.752 0.260 413 H LYS 57 HN LYS 57 10.766 3.667 2.935 414 HA LYS 57 HA LYS 57 9.149 4.539 5.171 415 HB2 LYS 57 HB2 LYS 57 11.608 4.989 5.583 416 HB3 LYS 57 HB1 LYS 57 11.607 5.988 4.134 417 HG2 LYS 57 HG2 LYS 57 11.392 7.353 6.133 418 HG3 LYS 57 HG1 LYS 57 9.928 7.447 5.143 419 HD2 LYS 57 HD2 LYS 57 8.954 5.637 6.578 420 HD3 LYS 57 HD1 LYS 57 10.354 5.822 7.637 421 HE2 LYS 57 HE2 LYS 57 9.743 8.119 8.058 422 HE3 LYS 57 HE1 LYS 57 8.411 7.971 6.897 423 HZ1 LYS 57 HZ1 LYS 57 7.399 6.320 8.264 424 HZ2 LYS 57 HZ2 LYS 57 7.661 7.721 9.201 425 HZ3 LYS 57 HZ3 LYS 57 8.657 6.387 9.392 426 H ILE 58 HN ILE 58 7.516 5.884 4.461 427 HA ILE 58 HA ILE 58 7.793 6.728 1.677 428 HB ILE 58 HB ILE 58 5.204 5.736 2.917 429 HG12 ILE 58 HG12 ILE 58 7.054 4.340 0.948 430 HG13 ILE 58 HG11 ILE 58 6.838 3.900 2.634 431 HG21 ILE 58 HG21 ILE 58 4.387 5.800 0.595 432 HG22 ILE 58 HG22 ILE 58 5.946 6.438 0.070 433 HG23 ILE 58 HG23 ILE 58 4.918 7.394 1.135 434 HD11 ILE 58 HD11 ILE 58 4.730 3.775 0.492 435 HD12 ILE 58 HD12 ILE 58 4.516 3.325 2.184 436 HD13 ILE 58 HD13 ILE 58 5.627 2.412 1.163 437 HA PRO 59 HA PRO 59 6.846 10.721 3.654 438 HB2 PRO 59 HB2 PRO 59 7.349 12.142 1.427 439 HB3 PRO 59 HB1 PRO 59 8.673 11.559 2.468 440 HG2 PRO 59 HG2 PRO 59 7.537 10.403 -0.054 441 HG3 PRO 59 HG1 PRO 59 9.255 10.644 0.372 442 HD2 PRO 59 HD2 PRO 59 8.082 8.250 0.591 443 HD3 PRO 59 HD1 PRO 59 9.254 8.806 1.810 444 H ASP 60 HN ASP 60 5.244 12.328 3.177 445 HA ASP 60 HA ASP 60 2.743 11.536 2.259 446 HB2 ASP 60 HB2 ASP 60 3.965 14.291 2.436 447 HB3 ASP 60 HB1 ASP 60 2.290 14.034 1.981 448 H ASP 61 HN ASP 61 5.293 13.221 0.579 449 HA ASP 61 HA ASP 61 3.990 13.704 -1.830 450 HB2 ASP 61 HB2 ASP 61 6.063 14.836 -1.255 451 HB3 ASP 61 HB1 ASP 61 6.942 13.316 -1.301 452 H ASP 62 HN ASP 62 5.722 10.843 -0.732 453 HA ASP 62 HA ASP 62 5.319 9.671 -3.341 454 HB2 ASP 62 HB2 ASP 62 6.874 8.732 -0.991 455 HB3 ASP 62 HB1 ASP 62 6.373 7.578 -2.220 456 H VAL 63 HN VAL 63 3.881 9.490 -0.223 457 HA VAL 63 HA VAL 63 2.376 7.167 -0.394 458 HB VAL 63 HB VAL 63 1.541 9.899 0.708 459 HG11 VAL 63 HG11 VAL 63 -0.369 8.412 0.333 460 HG12 VAL 63 HG12 VAL 63 -0.084 8.755 2.038 461 HG13 VAL 63 HG13 VAL 63 0.400 7.200 1.354 462 HG21 VAL 63 HG21 VAL 63 2.709 7.509 2.106 463 HG22 VAL 63 HG22 VAL 63 2.159 8.994 2.881 464 HG23 VAL 63 HG23 VAL 63 3.536 9.029 1.778 465 H LYS 64 HN LYS 64 1.687 10.366 -1.619 466 HA LYS 64 HA LYS 64 -0.805 9.737 -2.842 467 HB2 LYS 64 HB2 LYS 64 -0.744 11.962 -3.722 468 HB3 LYS 64 HB1 LYS 64 -0.092 11.997 -2.089 469 HG2 LYS 64 HG2 LYS 64 2.196 11.854 -3.173 470 HG3 LYS 64 HG1 LYS 64 1.371 12.218 -4.688 471 HD2 LYS 64 HD2 LYS 64 0.441 14.275 -3.532 472 HD3 LYS 64 HD1 LYS 64 1.559 13.879 -2.211 473 HE2 LYS 64 HE2 LYS 64 3.440 13.994 -3.734 474 HE3 LYS 64 HE1 LYS 64 2.356 14.406 -5.060 475 HZ1 LYS 64 HZ1 LYS 64 3.368 16.375 -4.176 476 HZ2 LYS 64 HZ2 LYS 64 2.848 16.004 -2.619 477 HZ3 LYS 64 HZ3 LYS 64 1.711 16.400 -3.805 478 H ASN 65 HN ASN 65 2.414 9.004 -3.893 479 HA ASN 65 HA ASN 65 1.855 9.175 -6.705 480 HB2 ASN 65 HB2 ASN 65 4.206 8.198 -5.114 481 HB3 ASN 65 HB1 ASN 65 4.122 8.146 -6.854 482 HD21 ASN 65 HD21 ASN 65 6.054 9.594 -5.192 483 HD22 ASN 65 HD22 ASN 65 5.870 11.253 -5.578 484 H LEU 66 HN LEU 66 1.353 7.058 -4.156 485 HA LEU 66 HA LEU 66 1.520 4.716 -5.846 486 HB2 LEU 66 HB2 LEU 66 0.815 4.889 -2.917 487 HB3 LEU 66 HB1 LEU 66 1.249 3.458 -3.823 488 HG LEU 66 HG LEU 66 3.073 5.693 -2.954 489 HD11 LEU 66 HD11 LEU 66 2.418 4.109 -1.254 490 HD12 LEU 66 HD12 LEU 66 4.147 3.954 -1.631 491 HD13 LEU 66 HD13 LEU 66 2.998 2.772 -2.235 492 HD21 LEU 66 HD21 LEU 66 3.719 3.269 -4.641 493 HD22 LEU 66 HD22 LEU 66 4.895 4.407 -3.986 494 HD23 LEU 66 HD23 LEU 66 3.728 4.945 -5.194 495 H LYS 67 HN LYS 67 -0.234 4.506 -6.948 496 HA LYS 67 HA LYS 67 -2.784 5.343 -5.749 497 HB2 LYS 67 HB2 LYS 67 -2.267 4.581 -8.645 498 HB3 LYS 67 HB1 LYS 67 -3.805 5.101 -7.993 499 HG2 LYS 67 HG2 LYS 67 -2.925 6.930 -9.189 500 HG3 LYS 67 HG1 LYS 67 -2.707 7.318 -7.486 501 HD2 LYS 67 HD2 LYS 67 -0.375 6.695 -7.605 502 HD3 LYS 67 HD1 LYS 67 -0.575 6.139 -9.265 503 HE2 LYS 67 HE2 LYS 67 0.480 8.320 -9.208 504 HE3 LYS 67 HE1 LYS 67 -1.109 8.415 -9.959 505 HZ1 LYS 67 HZ1 LYS 67 -1.980 9.289 -7.850 506 HZ2 LYS 67 HZ2 LYS 67 -0.793 10.243 -8.525 507 HZ3 LYS 67 HZ3 LYS 67 -0.422 9.298 -7.184 508 H THR 68 HN THR 68 -1.190 2.611 -7.379 509 HA THR 68 HA THR 68 -3.309 0.961 -6.264 510 HB THR 68 HB THR 68 -2.864 -0.668 -7.929 511 HG1 THR 68 HG1 THR 68 -0.736 0.929 -8.926 512 HG21 THR 68 HG21 THR 68 -2.715 2.026 -9.296 513 HG22 THR 68 HG22 THR 68 -4.189 1.202 -8.784 514 HG23 THR 68 HG23 THR 68 -3.192 0.512 -10.065 515 H VAL 69 HN VAL 69 -2.249 -1.333 -6.009 516 HA VAL 69 HA VAL 69 -0.058 -0.878 -4.236 517 HB VAL 69 HB VAL 69 -0.938 -2.485 -2.964 518 HG11 VAL 69 HG11 VAL 69 -3.003 -1.886 -3.889 519 HG12 VAL 69 HG12 VAL 69 -3.009 -3.631 -3.545 520 HG13 VAL 69 HG13 VAL 69 -2.803 -3.030 -5.206 521 HG21 VAL 69 HG21 VAL 69 -0.925 -4.881 -3.584 522 HG22 VAL 69 HG22 VAL 69 0.593 -4.073 -3.979 523 HG23 VAL 69 HG23 VAL 69 -0.569 -4.428 -5.257 524 H GLY 70 HN GLY 70 -0.585 -1.627 -7.371 525 HA2 GLY 70 HA2 GLY 70 1.823 -3.181 -7.832 526 HA3 GLY 70 HA1 GLY 70 0.895 -2.331 -9.079 527 H ASP 71 HN ASP 71 0.924 0.038 -7.440 528 HA ASP 71 HA ASP 71 3.411 1.293 -8.211 529 HB2 ASP 71 HB2 ASP 71 0.855 1.980 -6.871 530 HB3 ASP 71 HB1 ASP 71 2.074 3.184 -6.862 531 H ALA 72 HN ALA 72 1.560 0.848 -5.238 532 HA ALA 72 HA ALA 72 3.251 1.785 -3.297 533 HB1 ALA 72 HB1 ALA 72 0.940 0.896 -2.907 534 HB2 ALA 72 HB2 ALA 72 2.148 0.304 -1.756 535 HB3 ALA 72 HB3 ALA 72 1.622 -0.734 -3.048 536 H THR 73 HN THR 73 2.989 -1.547 -4.224 537 HA THR 73 HA THR 73 4.875 -2.505 -2.578 538 HB THR 73 HB THR 73 3.987 -3.613 -5.222 539 HG1 THR 73 HG1 THR 73 2.203 -3.520 -4.130 540 HG21 THR 73 HG21 THR 73 4.538 -5.746 -4.202 541 HG22 THR 73 HG22 THR 73 5.105 -4.846 -2.766 542 HG23 THR 73 HG23 THR 73 5.952 -4.665 -4.308 543 H LYS 74 HN LYS 74 5.245 -1.604 -5.982 544 HA LYS 74 HA LYS 74 7.829 -2.434 -6.422 545 HB2 LYS 74 HB2 LYS 74 5.893 -0.606 -7.518 546 HB3 LYS 74 HB1 LYS 74 7.545 -0.193 -7.940 547 HG2 LYS 74 HG2 LYS 74 6.566 -1.550 -9.704 548 HG3 LYS 74 HG1 LYS 74 7.827 -2.462 -8.875 549 HD2 LYS 74 HD2 LYS 74 6.218 -3.779 -7.718 550 HD3 LYS 74 HD1 LYS 74 4.900 -2.721 -8.222 551 HE2 LYS 74 HE2 LYS 74 4.834 -4.726 -9.551 552 HE3 LYS 74 HE1 LYS 74 5.322 -3.374 -10.568 553 HZ1 LYS 74 HZ1 LYS 74 7.646 -4.173 -10.394 554 HZ2 LYS 74 HZ2 LYS 74 6.622 -5.371 -10.981 555 HZ3 LYS 74 HZ3 LYS 74 7.096 -5.414 -9.386 556 H TYR 75 HN TYR 75 6.483 0.604 -5.320 557 HA TYR 75 HA TYR 75 8.811 2.090 -5.063 558 HB2 TYR 75 HB2 TYR 75 6.449 2.939 -4.973 559 HB3 TYR 75 HB1 TYR 75 6.330 2.196 -3.428 560 HD1 TYR 75 HD1 TYR 75 8.637 4.588 -5.065 561 HD2 TYR 75 HD2 TYR 75 6.694 3.376 -1.493 562 HE1 TYR 75 HE1 TYR 75 9.498 6.549 -3.960 563 HE2 TYR 75 HE2 TYR 75 7.558 5.366 -0.346 564 HH TYR 75 HH TYR 75 9.467 6.980 -0.611 565 H ILE 76 HN ILE 76 6.998 0.285 -2.697 566 HA ILE 76 HA ILE 76 8.462 0.737 -0.388 567 HB ILE 76 HB ILE 76 6.831 -1.628 -1.289 568 HG12 ILE 76 HG12 ILE 76 6.172 0.419 0.769 569 HG13 ILE 76 HG11 ILE 76 5.868 0.697 -0.944 570 HG21 ILE 76 HG21 ILE 76 7.919 -1.069 1.470 571 HG22 ILE 76 HG22 ILE 76 8.336 -2.430 0.417 572 HG23 ILE 76 HG23 ILE 76 6.709 -2.293 1.076 573 HD11 ILE 76 HD11 ILE 76 4.826 -1.577 0.710 574 HD12 ILE 76 HD12 ILE 76 4.557 -1.293 -1.023 575 HD13 ILE 76 HD13 ILE 76 3.896 -0.155 0.165 576 H LEU 77 HN LEU 77 8.569 -2.198 -2.372 577 HA LEU 77 HA LEU 77 10.579 -3.524 -1.121 578 HB2 LEU 77 HB2 LEU 77 8.924 -4.141 -2.951 579 HB3 LEU 77 HB1 LEU 77 10.039 -3.440 -4.082 580 HG LEU 77 HG LEU 77 10.355 -5.963 -2.474 581 HD11 LEU 77 HD11 LEU 77 10.406 -6.920 -4.744 582 HD12 LEU 77 HD12 LEU 77 10.093 -5.273 -5.356 583 HD13 LEU 77 HD13 LEU 77 8.900 -6.068 -4.341 584 HD21 LEU 77 HD21 LEU 77 12.346 -4.736 -4.401 585 HD22 LEU 77 HD22 LEU 77 12.482 -6.320 -3.632 586 HD23 LEU 77 HD23 LEU 77 12.570 -4.853 -2.657 587 H ASP 78 HN ASP 78 10.666 -1.209 -3.784 588 HA ASP 78 HA ASP 78 13.281 -1.515 -4.706 589 HB2 ASP 78 HB2 ASP 78 11.279 -0.401 -5.845 590 HB3 ASP 78 HB1 ASP 78 11.566 0.926 -4.779 591 H HIS 79 HN HIS 79 11.910 0.332 -2.151 592 HA HIS 79 HA HIS 79 14.394 1.811 -1.878 593 HB2 HIS 79 HB2 HIS 79 11.610 2.385 -1.058 594 HB3 HIS 79 HB1 HIS 79 12.925 3.152 -0.187 595 HD1 HIS 79 HD1 HIS 79 14.143 5.040 -1.370 596 HD2 HIS 79 HD2 HIS 79 11.334 3.167 -3.785 597 HE1 HIS 79 HE1 HIS 79 13.920 6.497 -3.404 598 HE2 HIS 79 HE2 HIS 79 12.004 5.517 -4.672 599 H GLN 80 HN GLN 80 13.206 -0.976 -0.601 600 HA GLN 80 HA GLN 80 14.766 -0.417 1.775 601 HB2 GLN 80 HB2 GLN 80 13.460 -2.587 2.577 602 HB3 GLN 80 HB1 GLN 80 12.997 -0.942 3.032 603 HG2 GLN 80 HG2 GLN 80 10.997 -1.508 2.214 604 HG3 GLN 80 HG1 GLN 80 11.742 -1.421 0.630 605 HE21 GLN 80 HE21 GLN 80 9.591 -2.968 1.428 606 HE22 GLN 80 HE22 GLN 80 10.014 -4.634 1.110 607 H ALA 81 HN ALA 81 13.938 -2.889 -0.251 608 HA ALA 81 HA ALA 81 16.569 -4.008 0.280 609 HB1 ALA 81 HB1 ALA 81 15.706 -6.252 -0.169 610 HB2 ALA 81 HB2 ALA 81 14.116 -5.551 -0.512 611 HB3 ALA 81 HB3 ALA 81 14.796 -5.427 1.106 612 H1 SYO 101 H1A SYO 101 -1.382 6.924 -0.691 613 H1A SYO 101 H1B SYO 101 -2.718 7.225 -1.820 614 H2 SYO 101 H2A SYO 101 -4.029 5.662 -0.391 615 H2A SYO 101 H2B SYO 101 -2.553 5.286 0.484 616 H4 SYO 101 H4A SYO 101 -0.606 4.855 -1.144 617 H4A SYO 101 H4B SYO 101 -0.951 3.865 -2.579 618 H5 SYO 101 H5A SYO 101 -1.352 1.986 -1.243 619 H5A SYO 101 H5B SYO 101 -1.579 2.968 0.211 620 H6 SYO 101 H6A SYO 101 0.762 3.623 0.100 621 H6A SYO 101 H6B SYO 101 0.969 2.582 -1.310 622 H7 SYO 101 H7A SYO 101 0.408 0.637 0.012 623 H7A SYO 101 H7B SYO 101 0.165 1.677 1.433 624 H8 SYO 101 H8C SYO 101 2.480 2.424 1.239 625 H8A SYO 101 H8A SYO 101 2.693 1.394 -0.175 626 H8B SYO 101 H8B SYO 101 2.391 0.669 1.404 627 H28 SYO 101 H28A SYO 101 -6.811 11.737 -1.664 628 H28A SYO 101 H28B SYO 101 -7.119 10.046 -2.034 629 H30 SYO 101 H30A SYO 101 -7.886 13.378 -3.404 630 H30A SYO 101 H30B SYO 101 -9.293 12.317 -3.483 631 H30B SYO 101 H30C SYO 101 -8.438 12.751 -4.973 632 H31 SYO 101 H31A SYO 101 -5.673 12.503 -3.732 633 H31A SYO 101 H31B SYO 101 -6.095 11.810 -5.300 634 H31B SYO 101 H31C SYO 101 -5.422 10.783 -4.036 635 H32 SYO 101 H32A SYO 101 -8.888 9.678 -3.885 636 HO33 SYO 101 H33A SYO 101 -8.137 9.939 -6.403 637 HN36 SYO 101 H36A SYO 101 -6.831 8.945 -2.813 638 H37 SYO 101 H37A SYO 101 -5.383 7.163 -2.537 639 H37A SYO 101 H37B SYO 101 -5.998 6.495 -4.058 640 H38 SYO 101 H38A SYO 101 -3.538 6.956 -3.996 641 H38A SYO 101 H38B SYO 101 -4.365 7.810 -5.304 642 HN41 SYO 101 H41A SYO 101 -3.942 8.374 -1.878 643 H42 SYO 101 H42A SYO 101 -2.476 10.864 -2.272 644 H42A SYO 101 H42B SYO 101 -3.980 10.826 -1.382 645 H43 SYO 101 H43A SYO 101 -2.415 10.590 0.332 646 H43A SYO 101 H43B SYO 101 -1.437 9.594 -0.699 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 10.492 -6.456 4.025 2 H2 ALA 1 HT2 ALA 1 11.127 -5.063 4.714 3 H3 ALA 1 HT3 ALA 1 11.698 -6.616 5.194 4 HA ALA 1 HA ALA 1 11.959 -5.363 2.543 5 HB1 ALA 1 HB1 ALA 1 13.466 -4.389 4.210 6 HB2 ALA 1 HB2 ALA 1 14.343 -5.313 2.991 7 HB3 ALA 1 HB3 ALA 1 14.075 -6.001 4.593 8 H ALA 2 HN ALA 2 11.499 -6.934 1.189 9 HA ALA 2 HA ALA 2 13.184 -9.207 1.033 10 HB1 ALA 2 HB1 ALA 2 11.431 -10.933 1.165 11 HB2 ALA 2 HB2 ALA 2 10.252 -9.705 1.624 12 HB3 ALA 2 HB3 ALA 2 11.594 -10.082 2.704 13 H THR 3 HN THR 3 9.804 -8.659 0.050 14 HA THR 3 HA THR 3 10.354 -7.619 -2.470 15 HB THR 3 HB THR 3 11.298 -9.905 -2.849 16 HG1 THR 3 HG1 THR 3 10.344 -10.202 -4.772 17 HG21 THR 3 HG21 THR 3 8.473 -10.817 -2.327 18 HG22 THR 3 HG22 THR 3 9.880 -11.167 -1.342 19 HG23 THR 3 HG23 THR 3 9.760 -11.838 -2.977 20 H GLN 4 HN GLN 4 8.343 -8.378 -3.842 21 HA GLN 4 HA GLN 4 6.129 -7.027 -2.962 22 HB2 GLN 4 HB2 GLN 4 6.428 -7.482 -5.262 23 HB3 GLN 4 HB1 GLN 4 6.314 -9.213 -5.000 24 HG2 GLN 4 HG2 GLN 4 4.003 -7.720 -4.099 25 HG3 GLN 4 HG1 GLN 4 4.282 -7.555 -5.812 26 HE21 GLN 4 HE21 GLN 4 3.248 -9.597 -3.236 27 HE22 GLN 4 HE22 GLN 4 2.794 -10.965 -4.174 28 H GLU 5 HN GLU 5 6.653 -10.522 -2.595 29 HA GLU 5 HA GLU 5 4.099 -11.271 -1.849 30 HB2 GLU 5 HB2 GLU 5 6.650 -12.371 -0.671 31 HB3 GLU 5 HB1 GLU 5 5.088 -13.171 -0.695 32 HG2 GLU 5 HG2 GLU 5 5.208 -13.130 -3.196 33 HG3 GLU 5 HG1 GLU 5 6.872 -12.559 -3.029 34 H GLU 6 HN GLU 6 6.736 -10.327 0.277 35 HA GLU 6 HA GLU 6 5.590 -10.194 2.768 36 HB2 GLU 6 HB2 GLU 6 7.946 -9.745 2.157 37 HB3 GLU 6 HB1 GLU 6 7.444 -8.266 1.424 38 HG2 GLU 6 HG2 GLU 6 6.645 -7.377 3.490 39 HG3 GLU 6 HG1 GLU 6 7.156 -8.830 4.360 40 H ILE 7 HN ILE 7 5.566 -7.782 0.194 41 HA ILE 7 HA ILE 7 4.551 -5.714 1.803 42 HB ILE 7 HB ILE 7 4.835 -6.041 -1.179 43 HG12 ILE 7 HG12 ILE 7 6.601 -4.659 0.838 44 HG13 ILE 7 HG11 ILE 7 6.884 -6.284 0.230 45 HG21 ILE 7 HG21 ILE 7 3.226 -4.291 -0.563 46 HG22 ILE 7 HG22 ILE 7 4.709 -3.593 -1.212 47 HG23 ILE 7 HG23 ILE 7 4.415 -3.579 0.529 48 HD11 ILE 7 HD11 ILE 7 6.810 -3.779 -1.408 49 HD12 ILE 7 HD12 ILE 7 7.149 -5.407 -2.006 50 HD13 ILE 7 HD13 ILE 7 8.255 -4.627 -0.868 51 H VAL 8 HN VAL 8 3.292 -7.339 -1.001 52 HA VAL 8 HA VAL 8 0.692 -6.251 -0.760 53 HB VAL 8 HB VAL 8 1.528 -8.742 -2.273 54 HG11 VAL 8 HG11 VAL 8 -0.491 -8.405 -3.611 55 HG12 VAL 8 HG12 VAL 8 -0.960 -7.061 -2.572 56 HG13 VAL 8 HG13 VAL 8 -0.893 -8.699 -1.919 57 HG21 VAL 8 HG21 VAL 8 2.729 -6.766 -2.959 58 HG22 VAL 8 HG22 VAL 8 1.226 -5.883 -3.136 59 HG23 VAL 8 HG23 VAL 8 1.582 -7.242 -4.210 60 H ALA 9 HN ALA 9 1.897 -9.321 0.479 61 HA ALA 9 HA ALA 9 -0.591 -10.228 1.362 62 HB1 ALA 9 HB1 ALA 9 2.149 -10.712 2.552 63 HB2 ALA 9 HB2 ALA 9 1.359 -11.684 1.312 64 HB3 ALA 9 HB3 ALA 9 0.694 -11.630 2.946 65 H GLY 10 HN GLY 10 1.853 -8.139 2.849 66 HA2 GLY 10 HA2 GLY 10 0.484 -8.063 5.291 67 HA3 GLY 10 HA1 GLY 10 1.917 -7.124 4.888 68 H LEU 11 HN LEU 11 0.770 -5.969 2.553 69 HA LEU 11 HA LEU 11 -0.399 -3.699 3.678 70 HB2 LEU 11 HB2 LEU 11 0.795 -4.503 1.300 71 HB3 LEU 11 HB1 LEU 11 -0.846 -4.133 0.867 72 HG LEU 11 HG LEU 11 1.034 -2.206 2.255 73 HD11 LEU 11 HD11 LEU 11 1.741 -2.700 -0.027 74 HD12 LEU 11 HD12 LEU 11 1.095 -1.062 0.102 75 HD13 LEU 11 HD13 LEU 11 0.118 -2.341 -0.616 76 HD21 LEU 11 HD21 LEU 11 -0.679 -0.555 1.689 77 HD22 LEU 11 HD22 LEU 11 -1.263 -1.798 2.796 78 HD23 LEU 11 HD23 LEU 11 -1.718 -1.860 1.101 79 H ALA 12 HN ALA 12 -1.610 -6.522 1.913 80 HA ALA 12 HA ALA 12 -4.300 -5.795 1.702 81 HB1 ALA 12 HB1 ALA 12 -3.105 -8.535 2.119 82 HB2 ALA 12 HB2 ALA 12 -3.362 -7.742 0.560 83 HB3 ALA 12 HB3 ALA 12 -4.744 -8.193 1.564 84 H GLU 13 HN GLU 13 -2.532 -7.532 4.219 85 HA GLU 13 HA GLU 13 -4.580 -8.033 6.015 86 HB2 GLU 13 HB2 GLU 13 -1.687 -7.450 6.555 87 HB3 GLU 13 HB1 GLU 13 -2.813 -8.037 7.769 88 HG2 GLU 13 HG2 GLU 13 -3.163 -10.047 6.513 89 HG3 GLU 13 HG1 GLU 13 -2.110 -9.444 5.228 90 H ILE 14 HN ILE 14 -2.498 -5.268 5.810 91 HA ILE 14 HA ILE 14 -3.517 -3.833 8.000 92 HB ILE 14 HB ILE 14 -2.419 -2.728 5.392 93 HG12 ILE 14 HG12 ILE 14 -0.941 -3.100 7.983 94 HG13 ILE 14 HG11 ILE 14 -1.029 -4.383 6.784 95 HG21 ILE 14 HG21 ILE 14 -2.658 -1.475 8.135 96 HG22 ILE 14 HG22 ILE 14 -3.620 -1.047 6.715 97 HG23 ILE 14 HG23 ILE 14 -1.883 -0.746 6.726 98 HD11 ILE 14 HD11 ILE 14 0.093 -1.643 6.342 99 HD12 ILE 14 HD12 ILE 14 -0.023 -2.962 5.163 100 HD13 ILE 14 HD13 ILE 14 1.004 -3.144 6.584 101 H VAL 15 HN VAL 15 -4.608 -4.007 4.651 102 HA VAL 15 HA VAL 15 -6.559 -1.935 4.948 103 HB VAL 15 HB VAL 15 -6.320 -3.988 2.703 104 HG11 VAL 15 HG11 VAL 15 -7.619 -2.400 1.382 105 HG12 VAL 15 HG12 VAL 15 -7.788 -1.363 2.800 106 HG13 VAL 15 HG13 VAL 15 -8.518 -2.971 2.786 107 HG21 VAL 15 HG21 VAL 15 -4.315 -2.612 2.906 108 HG22 VAL 15 HG22 VAL 15 -5.316 -1.154 2.825 109 HG23 VAL 15 HG23 VAL 15 -5.216 -2.243 1.436 110 H ASN 16 HN ASN 16 -6.434 -5.274 5.495 111 HA ASN 16 HA ASN 16 -9.234 -5.894 5.529 112 HB2 ASN 16 HB2 ASN 16 -7.275 -7.259 7.444 113 HB3 ASN 16 HB1 ASN 16 -8.788 -7.816 6.808 114 HD21 ASN 16 HD21 ASN 16 -8.300 -7.136 4.200 115 HD22 ASN 16 HD22 ASN 16 -7.050 -8.236 3.610 116 H GLU 17 HN GLU 17 -6.982 -4.756 7.951 117 HA GLU 17 HA GLU 17 -8.952 -4.711 10.042 118 HB2 GLU 17 HB2 GLU 17 -6.189 -3.497 10.014 119 HB3 GLU 17 HB1 GLU 17 -7.182 -3.809 11.432 120 HG2 GLU 17 HG2 GLU 17 -5.963 -5.847 9.587 121 HG3 GLU 17 HG1 GLU 17 -5.474 -5.495 11.247 122 H ILE 18 HN ILE 18 -7.180 -2.271 8.212 123 HA ILE 18 HA ILE 18 -8.267 0.031 9.401 124 HB ILE 18 HB ILE 18 -7.105 -0.467 6.655 125 HG12 ILE 18 HG12 ILE 18 -5.656 -0.756 8.730 126 HG13 ILE 18 HG11 ILE 18 -5.036 0.306 7.481 127 HG21 ILE 18 HG21 ILE 18 -6.807 1.913 6.420 128 HG22 ILE 18 HG22 ILE 18 -7.742 2.168 7.895 129 HG23 ILE 18 HG23 ILE 18 -8.505 1.442 6.481 130 HD11 ILE 18 HD11 ILE 18 -5.832 2.210 8.878 131 HD12 ILE 18 HD12 ILE 18 -4.600 1.209 9.626 132 HD13 ILE 18 HD13 ILE 18 -6.292 1.044 10.133 133 H ALA 19 HN ALA 19 -9.191 -1.588 6.333 134 HA ALA 19 HA ALA 19 -11.624 0.061 6.314 135 HB1 ALA 19 HB1 ALA 19 -10.208 0.280 4.316 136 HB2 ALA 19 HB2 ALA 19 -11.766 -0.449 3.917 137 HB3 ALA 19 HB3 ALA 19 -10.325 -1.460 4.042 138 H GLY 20 HN GLY 20 -10.780 -3.008 4.974 139 HA2 GLY 20 HA2 GLY 20 -11.890 -4.898 6.467 140 HA3 GLY 20 HA1 GLY 20 -13.348 -4.146 5.836 141 H ILE 21 HN ILE 21 -10.355 -4.517 4.156 142 HA ILE 21 HA ILE 21 -11.668 -5.828 1.989 143 HB ILE 21 HB ILE 21 -9.066 -4.647 2.522 144 HG12 ILE 21 HG12 ILE 21 -9.216 -4.005 0.123 145 HG13 ILE 21 HG11 ILE 21 -10.659 -5.001 -0.015 146 HG21 ILE 21 HG21 ILE 21 -8.117 -6.817 2.225 147 HG22 ILE 21 HG22 ILE 21 -7.763 -5.854 0.803 148 HG23 ILE 21 HG23 ILE 21 -9.038 -7.077 0.749 149 HD11 ILE 21 HD11 ILE 21 -11.788 -3.572 1.605 150 HD12 ILE 21 HD12 ILE 21 -11.212 -2.654 0.216 151 HD13 ILE 21 HD13 ILE 21 -10.334 -2.583 1.747 152 HA PRO 22 HA PRO 22 -11.042 -9.971 3.433 153 HB2 PRO 22 HB2 PRO 22 -11.306 -10.861 0.718 154 HB3 PRO 22 HB1 PRO 22 -12.543 -10.956 2.023 155 HG2 PRO 22 HG2 PRO 22 -12.815 -9.395 -0.189 156 HG3 PRO 22 HG1 PRO 22 -13.409 -8.857 1.393 157 HD2 PRO 22 HD2 PRO 22 -10.843 -8.196 0.034 158 HD3 PRO 22 HD1 PRO 22 -12.007 -7.090 0.797 159 H VAL 23 HN VAL 23 -8.586 -8.657 2.435 160 HA VAL 23 HA VAL 23 -6.409 -8.992 1.997 161 HB VAL 23 HB VAL 23 -6.742 -10.400 4.054 162 HG11 VAL 23 HG11 VAL 23 -7.867 -12.308 3.202 163 HG12 VAL 23 HG12 VAL 23 -6.352 -12.811 3.955 164 HG13 VAL 23 HG13 VAL 23 -6.482 -12.736 2.198 165 HG21 VAL 23 HG21 VAL 23 -4.463 -11.359 4.072 166 HG22 VAL 23 HG22 VAL 23 -4.516 -9.717 3.430 167 HG23 VAL 23 HG23 VAL 23 -4.365 -11.087 2.331 168 H GLU 24 HN GLU 24 -8.434 -10.611 -0.036 169 HA GLU 24 HA GLU 24 -6.152 -11.591 -1.617 170 HB2 GLU 24 HB2 GLU 24 -9.056 -12.360 -1.757 171 HB3 GLU 24 HB1 GLU 24 -7.760 -13.036 -2.735 172 HG2 GLU 24 HG2 GLU 24 -6.731 -13.993 -0.791 173 HG3 GLU 24 HG1 GLU 24 -7.920 -13.215 0.259 174 H ASP 25 HN ASP 25 -8.270 -9.125 -1.381 175 HA ASP 25 HA ASP 25 -8.943 -8.755 -4.189 176 HB2 ASP 25 HB2 ASP 25 -10.230 -7.963 -2.025 177 HB3 ASP 25 HB1 ASP 25 -9.126 -6.616 -2.112 178 H VAL 26 HN VAL 26 -6.709 -7.767 -1.902 179 HA VAL 26 HA VAL 26 -5.646 -5.458 -3.270 180 HB VAL 26 HB VAL 26 -4.411 -6.989 -0.960 181 HG11 VAL 26 HG11 VAL 26 -3.406 -4.854 -0.385 182 HG12 VAL 26 HG12 VAL 26 -4.087 -4.145 -1.859 183 HG13 VAL 26 HG13 VAL 26 -2.854 -5.416 -1.977 184 HG21 VAL 26 HG21 VAL 26 -6.329 -4.689 -0.895 185 HG22 VAL 26 HG22 VAL 26 -5.499 -5.386 0.500 186 HG23 VAL 26 HG23 VAL 26 -6.665 -6.350 -0.410 187 H LYS 27 HN LYS 27 -4.874 -6.047 -5.247 188 HA LYS 27 HA LYS 27 -2.526 -7.780 -5.315 189 HB2 LYS 27 HB2 LYS 27 -4.990 -7.887 -6.933 190 HB3 LYS 27 HB1 LYS 27 -3.521 -7.793 -7.884 191 HG2 LYS 27 HG2 LYS 27 -4.215 -10.085 -7.599 192 HG3 LYS 27 HG1 LYS 27 -2.682 -9.805 -6.779 193 HD2 LYS 27 HD2 LYS 27 -3.774 -9.677 -4.682 194 HD3 LYS 27 HD1 LYS 27 -5.377 -9.816 -5.428 195 HE2 LYS 27 HE2 LYS 27 -4.599 -12.027 -6.375 196 HE3 LYS 27 HE1 LYS 27 -3.191 -11.888 -5.327 197 HZ1 LYS 27 HZ1 LYS 27 -5.954 -11.781 -4.327 198 HZ2 LYS 27 HZ2 LYS 27 -4.543 -12.086 -3.414 199 HZ3 LYS 27 HZ3 LYS 27 -5.140 -13.234 -4.512 200 H LEU 28 HN LEU 28 -1.077 -7.080 -6.908 201 HA LEU 28 HA LEU 28 -0.555 -4.352 -7.130 202 HB2 LEU 28 HB2 LEU 28 0.137 -6.398 -9.263 203 HB3 LEU 28 HB1 LEU 28 0.962 -4.890 -8.939 204 HG LEU 28 HG LEU 28 0.952 -7.314 -7.142 205 HD11 LEU 28 HD11 LEU 28 2.184 -7.693 -9.202 206 HD12 LEU 28 HD12 LEU 28 3.283 -7.544 -7.831 207 HD13 LEU 28 HD13 LEU 28 3.085 -6.197 -8.952 208 HD21 LEU 28 HD21 LEU 28 1.176 -5.157 -5.986 209 HD22 LEU 28 HD22 LEU 28 2.603 -4.814 -6.987 210 HD23 LEU 28 HD23 LEU 28 2.610 -6.174 -5.866 211 H ASP 29 HN ASP 29 -0.978 -2.852 -8.649 212 HA ASP 29 HA ASP 29 -1.994 -1.651 -10.238 213 HB2 ASP 29 HB2 ASP 29 -1.572 -3.608 -11.798 214 HB3 ASP 29 HB1 ASP 29 -3.169 -4.203 -11.385 215 H LYS 30 HN LYS 30 -3.297 -2.917 -7.739 216 HA LYS 30 HA LYS 30 -6.015 -2.046 -8.372 217 HB2 LYS 30 HB2 LYS 30 -5.059 -3.115 -5.715 218 HB3 LYS 30 HB1 LYS 30 -6.645 -2.521 -6.249 219 HG2 LYS 30 HG2 LYS 30 -5.297 -4.994 -7.350 220 HG3 LYS 30 HG1 LYS 30 -6.511 -5.014 -6.068 221 HD2 LYS 30 HD2 LYS 30 -7.983 -3.781 -7.604 222 HD3 LYS 30 HD1 LYS 30 -6.877 -4.101 -8.913 223 HE2 LYS 30 HE2 LYS 30 -8.503 -5.825 -9.041 224 HE3 LYS 30 HE1 LYS 30 -7.167 -6.597 -8.182 225 HZ1 LYS 30 HZ1 LYS 30 -9.384 -6.965 -7.119 226 HZ2 LYS 30 HZ2 LYS 30 -9.485 -5.311 -6.858 227 HZ3 LYS 30 HZ3 LYS 30 -8.288 -6.210 -6.085 228 H SER 31 HN SER 31 -6.544 -0.301 -7.963 229 HA SER 31 HA SER 31 -4.802 1.784 -6.986 230 HB2 SER 31 HB2 SER 31 -7.650 1.945 -7.938 231 HB3 SER 31 HB1 SER 31 -6.569 3.333 -7.719 232 HG SER 31 HG SER 31 -6.507 1.244 -9.607 233 H PHE 32 HN PHE 32 -5.551 0.023 -4.918 234 HA PHE 32 HA PHE 32 -6.451 -0.211 -2.826 235 HB2 PHE 32 HB2 PHE 32 -5.273 2.551 -2.737 236 HB3 PHE 32 HB1 PHE 32 -5.881 1.726 -1.313 237 HD1 PHE 32 HD2 PHE 32 -4.826 -0.537 -0.750 238 HD2 PHE 32 HD1 PHE 32 -3.098 2.231 -3.483 239 HE1 PHE 32 HE2 PHE 32 -2.659 -1.636 -0.522 240 HE2 PHE 32 HE1 PHE 32 -0.963 1.151 -3.243 241 HZ PHE 32 HZ PHE 32 -0.704 -0.725 -1.608 242 H THR 33 HN THR 33 -7.196 3.125 -2.757 243 HA THR 33 HA THR 33 -9.642 2.484 -1.456 244 HB THR 33 HB THR 33 -8.227 4.570 -1.007 245 HG1 THR 33 HG1 THR 33 -10.939 5.223 -1.530 246 HG21 THR 33 HG21 THR 33 -7.949 5.309 -3.312 247 HG22 THR 33 HG22 THR 33 -8.729 6.556 -2.340 248 HG23 THR 33 HG23 THR 33 -9.687 5.571 -3.446 249 H ASP 34 HN ASP 34 -8.708 3.028 -4.671 250 HA ASP 34 HA ASP 34 -11.309 3.708 -5.670 251 HB2 ASP 34 HB2 ASP 34 -9.505 4.682 -6.779 252 HB3 ASP 34 HB1 ASP 34 -8.652 3.161 -6.923 253 H ASP 35 HN ASP 35 -9.137 0.913 -6.014 254 HA ASP 35 HA ASP 35 -11.248 -0.564 -7.375 255 HB2 ASP 35 HB2 ASP 35 -8.619 -0.895 -7.714 256 HB3 ASP 35 HB1 ASP 35 -8.761 -1.876 -6.334 257 H LEU 36 HN LEU 36 -9.381 -0.903 -4.460 258 HA LEU 36 HA LEU 36 -10.579 -3.323 -3.626 259 HB2 LEU 36 HB2 LEU 36 -9.205 -1.365 -1.818 260 HB3 LEU 36 HB1 LEU 36 -9.394 -3.121 -1.687 261 HG LEU 36 HG LEU 36 -7.659 -1.607 -3.563 262 HD11 LEU 36 HD11 LEU 36 -6.991 -1.464 -1.282 263 HD12 LEU 36 HD12 LEU 36 -5.873 -2.552 -2.135 264 HD13 LEU 36 HD13 LEU 36 -7.160 -3.201 -1.091 265 HD21 LEU 36 HD21 LEU 36 -7.908 -4.565 -3.060 266 HD22 LEU 36 HD22 LEU 36 -6.707 -3.770 -4.094 267 HD23 LEU 36 HD23 LEU 36 -8.416 -3.707 -4.519 268 H ASP 37 HN ASP 37 -11.077 0.093 -2.800 269 HA ASP 37 HA ASP 37 -12.832 1.167 -2.092 270 HB2 ASP 37 HB2 ASP 37 -14.464 -0.531 -2.847 271 HB3 ASP 37 HB1 ASP 37 -14.042 -1.475 -1.408 272 H VAL 38 HN VAL 38 -11.114 1.611 -0.985 273 HA VAL 38 HA VAL 38 -11.170 0.921 1.898 274 HB VAL 38 HB VAL 38 -8.992 2.510 0.472 275 HG11 VAL 38 HG11 VAL 38 -8.915 1.039 3.109 276 HG12 VAL 38 HG12 VAL 38 -8.965 2.790 2.891 277 HG13 VAL 38 HG13 VAL 38 -7.555 1.874 2.354 278 HG21 VAL 38 HG21 VAL 38 -9.146 0.336 -0.565 279 HG22 VAL 38 HG22 VAL 38 -9.033 -0.451 1.011 280 HG23 VAL 38 HG23 VAL 38 -7.663 0.465 0.380 281 H ASP 39 HN ASP 39 -10.684 2.827 3.345 282 HA ASP 39 HA ASP 39 -12.761 4.766 3.069 283 HB2 ASP 39 HB2 ASP 39 -10.554 4.593 5.106 284 HB3 ASP 39 HB1 ASP 39 -12.008 5.565 5.239 285 H SER 40 HN SER 40 -9.751 4.883 1.697 286 HA SER 40 HA SER 40 -8.298 6.450 0.913 287 HB2 SER 40 HB2 SER 40 -10.112 7.510 -0.189 288 HB3 SER 40 HB1 SER 40 -10.634 8.320 1.306 289 H LEU 41 HN LEU 41 -9.921 8.248 3.521 290 HA LEU 41 HA LEU 41 -7.512 9.449 4.317 291 HB2 LEU 41 HB2 LEU 41 -8.860 9.933 6.515 292 HB3 LEU 41 HB1 LEU 41 -9.262 10.740 5.022 293 HG LEU 41 HG LEU 41 -11.144 9.101 4.724 294 HD11 LEU 41 HD11 LEU 41 -10.356 7.297 6.128 295 HD12 LEU 41 HD12 LEU 41 -11.948 7.862 6.639 296 HD13 LEU 41 HD13 LEU 41 -10.510 8.324 7.552 297 HD21 LEU 41 HD21 LEU 41 -11.528 11.318 5.574 298 HD22 LEU 41 HD22 LEU 41 -11.175 10.770 7.213 299 HD23 LEU 41 HD23 LEU 41 -12.595 10.154 6.364 300 H SER 42 HN SER 42 -9.077 6.551 5.383 301 HA SER 42 HA SER 42 -7.131 5.936 7.403 302 HB2 SER 42 HB2 SER 42 -9.027 4.107 5.974 303 HB3 SER 42 HB1 SER 42 -8.320 3.877 7.575 304 HG SER 42 HG SER 42 -9.522 5.785 8.241 305 H MET 43 HN MET 43 -7.118 5.855 4.050 306 HA MET 43 HA MET 43 -5.441 3.575 3.761 307 HB2 MET 43 HB2 MET 43 -6.813 4.029 1.913 308 HB3 MET 43 HB1 MET 43 -6.402 5.724 1.911 309 HG2 MET 43 HG2 MET 43 -5.493 4.325 0.024 310 HG3 MET 43 HG1 MET 43 -4.364 5.371 0.860 311 HE1 MET 43 HE1 MET 43 -5.626 2.005 2.338 312 HE2 MET 43 HE2 MET 43 -4.428 0.878 1.643 313 HE3 MET 43 HE3 MET 43 -5.634 1.653 0.583 314 H VAL 44 HN VAL 44 -5.017 7.016 4.030 315 HA VAL 44 HA VAL 44 -2.307 7.177 3.524 316 HB VAL 44 HB VAL 44 -3.848 8.733 5.650 317 HG11 VAL 44 HG11 VAL 44 -1.190 9.383 4.359 318 HG12 VAL 44 HG12 VAL 44 -1.431 8.897 6.035 319 HG13 VAL 44 HG13 VAL 44 -2.084 10.432 5.462 320 HG21 VAL 44 HG21 VAL 44 -3.169 9.417 2.791 321 HG22 VAL 44 HG22 VAL 44 -4.020 10.468 3.924 322 HG23 VAL 44 HG23 VAL 44 -4.759 8.951 3.394 323 H GLU 45 HN GLU 45 -4.006 6.140 6.454 324 HA GLU 45 HA GLU 45 -1.888 5.718 8.274 325 HB2 GLU 45 HB2 GLU 45 -4.370 4.036 7.935 326 HB3 GLU 45 HB1 GLU 45 -3.356 4.120 9.359 327 HG2 GLU 45 HG2 GLU 45 -5.048 6.334 8.256 328 HG3 GLU 45 HG1 GLU 45 -5.419 5.239 9.603 329 H VAL 46 HN VAL 46 -3.473 3.649 5.926 330 HA VAL 46 HA VAL 46 -2.219 1.238 6.424 331 HB VAL 46 HB VAL 46 -3.270 2.231 3.759 332 HG11 VAL 46 HG11 VAL 46 -1.914 0.265 3.478 333 HG12 VAL 46 HG12 VAL 46 -3.617 -0.113 3.210 334 HG13 VAL 46 HG13 VAL 46 -2.834 -0.578 4.722 335 HG21 VAL 46 HG21 VAL 46 -5.328 1.071 4.355 336 HG22 VAL 46 HG22 VAL 46 -4.959 2.393 5.456 337 HG23 VAL 46 HG23 VAL 46 -4.662 0.720 5.951 338 H VAL 47 HN VAL 47 -1.142 3.979 4.713 339 HA VAL 47 HA VAL 47 0.867 2.750 3.000 340 HB VAL 47 HB VAL 47 0.827 5.627 3.942 341 HG11 VAL 47 HG11 VAL 47 1.963 4.342 1.470 342 HG12 VAL 47 HG12 VAL 47 2.869 4.934 2.862 343 HG13 VAL 47 HG13 VAL 47 1.987 6.067 1.835 344 HG21 VAL 47 HG21 VAL 47 -0.598 4.470 1.556 345 HG22 VAL 47 HG22 VAL 47 -0.443 6.187 1.928 346 HG23 VAL 47 HG23 VAL 47 -1.356 5.127 3.004 347 H VAL 48 HN VAL 48 0.886 4.732 5.862 348 HA VAL 48 HA VAL 48 3.611 4.494 6.469 349 HB VAL 48 HB VAL 48 1.256 4.959 8.334 350 HG11 VAL 48 HG11 VAL 48 3.254 4.313 9.569 351 HG12 VAL 48 HG12 VAL 48 2.883 6.016 9.834 352 HG13 VAL 48 HG13 VAL 48 4.188 5.558 8.739 353 HG21 VAL 48 HG21 VAL 48 3.031 6.931 6.890 354 HG22 VAL 48 HG22 VAL 48 1.791 7.349 8.071 355 HG23 VAL 48 HG23 VAL 48 1.337 6.601 6.538 356 H ALA 49 HN ALA 49 0.761 2.530 7.226 357 HA ALA 49 HA ALA 49 1.984 1.009 9.131 358 HB1 ALA 49 HB1 ALA 49 -0.421 1.168 8.990 359 HB2 ALA 49 HB2 ALA 49 0.073 -0.523 8.876 360 HB3 ALA 49 HB3 ALA 49 -0.405 0.359 7.423 361 H ALA 50 HN ALA 50 1.540 0.746 5.696 362 HA ALA 50 HA ALA 50 2.584 -1.780 5.222 363 HB1 ALA 50 HB1 ALA 50 2.524 0.680 3.421 364 HB2 ALA 50 HB2 ALA 50 1.325 -0.591 3.475 365 HB3 ALA 50 HB3 ALA 50 2.932 -0.937 2.879 366 H GLU 51 HN GLU 51 4.191 1.403 4.983 367 HA GLU 51 HA GLU 51 6.641 0.217 4.407 368 HB2 GLU 51 HB2 GLU 51 7.657 2.480 4.967 369 HB3 GLU 51 HB1 GLU 51 6.540 2.375 3.633 370 HG2 GLU 51 HG2 GLU 51 5.653 4.073 4.450 371 HG3 GLU 51 HG1 GLU 51 4.898 3.054 5.676 372 H GLU 52 HN GLU 52 5.383 1.157 7.483 373 HA GLU 52 HA GLU 52 7.652 0.730 9.048 374 HB2 GLU 52 HB2 GLU 52 4.742 0.350 9.579 375 HB3 GLU 52 HB1 GLU 52 5.949 0.126 10.853 376 HG2 GLU 52 HG2 GLU 52 6.603 2.478 10.485 377 HG3 GLU 52 HG1 GLU 52 5.301 2.606 9.295 378 H ARG 53 HN ARG 53 5.372 -1.548 7.698 379 HA ARG 53 HA ARG 53 6.339 -3.782 9.281 380 HB2 ARG 53 HB2 ARG 53 3.926 -3.262 8.374 381 HB3 ARG 53 HB1 ARG 53 4.530 -4.013 6.914 382 HG2 ARG 53 HG2 ARG 53 5.055 -6.055 8.256 383 HG3 ARG 53 HG1 ARG 53 4.259 -5.284 9.632 384 HD2 ARG 53 HD2 ARG 53 2.311 -4.935 7.908 385 HD3 ARG 53 HD1 ARG 53 3.091 -6.265 7.068 386 HE ARG 53 HE ARG 53 2.217 -6.466 9.865 387 HH11 ARG 53 HH11 ARG 53 2.585 -8.078 6.744 388 HH12 ARG 53 HH12 ARG 53 1.251 -9.130 6.972 389 HH21 ARG 53 HH21 ARG 53 0.416 -8.030 10.208 390 HH22 ARG 53 HH22 ARG 53 0.048 -9.146 8.973 391 H PHE 54 HN PHE 54 6.749 -2.416 6.076 392 HA PHE 54 HA PHE 54 8.051 -4.877 5.165 393 HB2 PHE 54 HB2 PHE 54 7.356 -2.514 3.418 394 HB3 PHE 54 HB1 PHE 54 7.775 -4.156 2.928 395 HD1 PHE 54 HD2 PHE 54 6.166 -5.650 4.918 396 HD2 PHE 54 HD1 PHE 54 5.250 -2.315 2.487 397 HE1 PHE 54 HE2 PHE 54 3.840 -6.218 5.059 398 HE2 PHE 54 HE1 PHE 54 2.887 -2.873 2.607 399 HZ PHE 54 HZ PHE 54 2.151 -4.835 3.894 400 H ASP 55 HN ASP 55 8.922 -2.195 6.557 401 HA ASP 55 HA ASP 55 11.032 -1.455 7.213 402 HB2 ASP 55 HB2 ASP 55 11.884 -3.797 6.678 403 HB3 ASP 55 HB1 ASP 55 12.246 -3.212 5.058 404 H VAL 56 HN VAL 56 9.513 -0.661 4.457 405 HA VAL 56 HA VAL 56 11.676 0.977 3.422 406 HB VAL 56 HB VAL 56 10.050 -0.303 1.935 407 HG11 VAL 56 HG11 VAL 56 8.107 1.749 2.841 408 HG12 VAL 56 HG12 VAL 56 8.056 0.011 3.131 409 HG13 VAL 56 HG13 VAL 56 7.885 0.639 1.490 410 HG21 VAL 56 HG21 VAL 56 11.369 1.563 1.062 411 HG22 VAL 56 HG22 VAL 56 9.978 2.646 1.391 412 HG23 VAL 56 HG23 VAL 56 9.824 1.276 0.277 413 H LYS 57 HN LYS 57 10.716 3.413 2.875 414 HA LYS 57 HA LYS 57 9.098 4.321 5.133 415 HB2 LYS 57 HB2 LYS 57 11.585 4.818 5.466 416 HB3 LYS 57 HB1 LYS 57 11.473 5.786 3.994 417 HG2 LYS 57 HG2 LYS 57 11.328 7.227 5.905 418 HG3 LYS 57 HG1 LYS 57 9.784 7.197 5.048 419 HD2 LYS 57 HD2 LYS 57 9.031 5.447 6.701 420 HD3 LYS 57 HD1 LYS 57 10.497 5.799 7.620 421 HE2 LYS 57 HE2 LYS 57 8.383 7.811 6.876 422 HE3 LYS 57 HE1 LYS 57 8.504 7.007 8.434 423 HZ1 LYS 57 HZ1 LYS 57 10.506 8.115 8.911 424 HZ2 LYS 57 HZ2 LYS 57 9.476 9.301 8.264 425 HZ3 LYS 57 HZ3 LYS 57 10.711 8.672 7.324 426 H ILE 58 HN ILE 58 7.444 5.604 4.369 427 HA ILE 58 HA ILE 58 7.754 6.457 1.585 428 HB ILE 58 HB ILE 58 5.163 5.440 2.808 429 HG12 ILE 58 HG12 ILE 58 6.959 4.177 0.718 430 HG13 ILE 58 HG11 ILE 58 6.873 3.682 2.403 431 HG21 ILE 58 HG21 ILE 58 4.301 5.596 0.501 432 HG22 ILE 58 HG22 ILE 58 5.842 6.273 -0.026 433 HG23 ILE 58 HG23 ILE 58 4.822 7.174 1.095 434 HD11 ILE 58 HD11 ILE 58 4.644 3.530 0.387 435 HD12 ILE 58 HD12 ILE 58 4.542 3.035 2.082 436 HD13 ILE 58 HD13 ILE 58 5.628 2.188 0.979 437 HA PRO 59 HA PRO 59 6.880 10.427 3.576 438 HB2 PRO 59 HB2 PRO 59 7.578 11.917 1.471 439 HB3 PRO 59 HB1 PRO 59 8.824 11.118 2.461 440 HG2 PRO 59 HG2 PRO 59 7.550 10.218 -0.102 441 HG3 PRO 59 HG1 PRO 59 9.297 10.331 0.270 442 HD2 PRO 59 HD2 PRO 59 7.981 8.004 0.430 443 HD3 PRO 59 HD1 PRO 59 9.218 8.430 1.636 444 H ASP 60 HN ASP 60 5.434 12.235 2.989 445 HA ASP 60 HA ASP 60 2.890 11.463 2.192 446 HB2 ASP 60 HB2 ASP 60 3.149 13.446 3.512 447 HB3 ASP 60 HB1 ASP 60 4.136 14.212 2.273 448 H ASP 61 HN ASP 61 5.370 13.072 0.276 449 HA ASP 61 HA ASP 61 3.912 13.501 -2.076 450 HB2 ASP 61 HB2 ASP 61 6.107 14.504 -1.717 451 HB3 ASP 61 HB1 ASP 61 6.862 12.917 -1.778 452 H ASP 62 HN ASP 62 5.679 10.664 -1.010 453 HA ASP 62 HA ASP 62 5.075 9.409 -3.513 454 HB2 ASP 62 HB2 ASP 62 6.646 8.430 -1.152 455 HB3 ASP 62 HB1 ASP 62 6.169 7.340 -2.451 456 H VAL 63 HN VAL 63 3.821 9.322 -0.272 457 HA VAL 63 HA VAL 63 2.038 7.196 -0.431 458 HB VAL 63 HB VAL 63 1.546 9.985 0.729 459 HG11 VAL 63 HG11 VAL 63 0.072 7.426 1.301 460 HG12 VAL 63 HG12 VAL 63 -0.555 8.820 0.421 461 HG13 VAL 63 HG13 VAL 63 -0.167 8.961 2.137 462 HG21 VAL 63 HG21 VAL 63 3.463 8.899 1.748 463 HG22 VAL 63 HG22 VAL 63 2.491 7.468 2.084 464 HG23 VAL 63 HG23 VAL 63 2.123 8.994 2.891 465 H LYS 64 HN LYS 64 1.656 10.519 -1.493 466 HA LYS 64 HA LYS 64 -0.881 10.076 -2.729 467 HB2 LYS 64 HB2 LYS 64 -0.677 12.412 -3.576 468 HB3 LYS 64 HB1 LYS 64 -0.470 12.259 -1.838 469 HG2 LYS 64 HG2 LYS 64 2.006 12.298 -2.237 470 HG3 LYS 64 HG1 LYS 64 1.653 12.707 -3.913 471 HD2 LYS 64 HD2 LYS 64 0.709 14.318 -1.543 472 HD3 LYS 64 HD1 LYS 64 2.201 14.632 -2.412 473 HE2 LYS 64 HE2 LYS 64 -0.555 14.640 -3.664 474 HE3 LYS 64 HE1 LYS 64 0.307 16.085 -3.135 475 HZ1 LYS 64 HZ1 LYS 64 2.098 15.467 -4.724 476 HZ2 LYS 64 HZ2 LYS 64 0.654 15.823 -5.468 477 HZ3 LYS 64 HZ3 LYS 64 1.116 14.216 -5.312 478 H ASN 65 HN ASN 65 2.084 9.090 -3.826 479 HA ASN 65 HA ASN 65 1.292 9.420 -6.619 480 HB2 ASN 65 HB2 ASN 65 3.882 9.056 -5.286 481 HB3 ASN 65 HB1 ASN 65 3.677 8.349 -6.861 482 HD21 ASN 65 HD21 ASN 65 3.899 11.355 -5.129 483 HD22 ASN 65 HD22 ASN 65 4.023 12.383 -6.501 484 H LEU 66 HN LEU 66 1.476 7.166 -4.091 485 HA LEU 66 HA LEU 66 1.598 4.925 -5.861 486 HB2 LEU 66 HB2 LEU 66 0.781 5.017 -2.947 487 HB3 LEU 66 HB1 LEU 66 1.156 3.586 -3.874 488 HG LEU 66 HG LEU 66 3.058 5.687 -2.867 489 HD11 LEU 66 HD11 LEU 66 2.826 2.729 -2.311 490 HD12 LEU 66 HD12 LEU 66 2.306 4.009 -1.253 491 HD13 LEU 66 HD13 LEU 66 4.029 3.808 -1.616 492 HD21 LEU 66 HD21 LEU 66 3.654 3.339 -4.678 493 HD22 LEU 66 HD22 LEU 66 4.858 4.385 -3.927 494 HD23 LEU 66 HD23 LEU 66 3.744 5.042 -5.129 495 H LYS 67 HN LYS 67 -0.049 4.740 -7.066 496 HA LYS 67 HA LYS 67 -2.611 5.461 -5.928 497 HB2 LYS 67 HB2 LYS 67 -3.630 5.389 -8.238 498 HB3 LYS 67 HB1 LYS 67 -2.439 6.643 -8.000 499 HG2 LYS 67 HG2 LYS 67 -1.732 4.037 -9.323 500 HG3 LYS 67 HG1 LYS 67 -2.493 5.344 -10.221 501 HD2 LYS 67 HD2 LYS 67 0.150 5.611 -8.722 502 HD3 LYS 67 HD1 LYS 67 -0.021 5.285 -10.435 503 HE2 LYS 67 HE2 LYS 67 -1.103 7.734 -9.048 504 HE3 LYS 67 HE1 LYS 67 0.437 7.648 -9.896 505 HZ1 LYS 67 HZ1 LYS 67 -0.832 6.994 -11.902 506 HZ2 LYS 67 HZ2 LYS 67 -1.143 8.556 -11.376 507 HZ3 LYS 67 HZ3 LYS 67 -2.280 7.339 -11.110 508 H THR 68 HN THR 68 -0.952 2.742 -7.457 509 HA THR 68 HA THR 68 -3.138 1.115 -6.413 510 HB THR 68 HB THR 68 -2.619 -0.539 -8.003 511 HG1 THR 68 HG1 THR 68 -0.562 1.092 -9.061 512 HG21 THR 68 HG21 THR 68 -2.541 2.133 -9.423 513 HG22 THR 68 HG22 THR 68 -3.992 1.264 -8.920 514 HG23 THR 68 HG23 THR 68 -2.948 0.590 -10.174 515 H VAL 69 HN VAL 69 -2.201 -1.125 -6.060 516 HA VAL 69 HA VAL 69 -0.035 -0.806 -4.233 517 HB VAL 69 HB VAL 69 -1.536 -2.074 -3.048 518 HG11 VAL 69 HG11 VAL 69 -3.149 -3.588 -3.978 519 HG12 VAL 69 HG12 VAL 69 -2.400 -3.317 -5.567 520 HG13 VAL 69 HG13 VAL 69 -3.160 -1.972 -4.721 521 HG21 VAL 69 HG21 VAL 69 -0.297 -4.328 -4.629 522 HG22 VAL 69 HG22 VAL 69 -1.129 -4.494 -3.079 523 HG23 VAL 69 HG23 VAL 69 0.388 -3.596 -3.177 524 H GLY 70 HN GLY 70 -0.543 -1.561 -7.366 525 HA2 GLY 70 HA2 GLY 70 1.715 -3.309 -7.762 526 HA3 GLY 70 HA1 GLY 70 0.974 -2.285 -9.005 527 H ASP 71 HN ASP 71 1.038 0.074 -7.864 528 HA ASP 71 HA ASP 71 3.568 1.126 -8.271 529 HB2 ASP 71 HB2 ASP 71 1.046 2.028 -7.001 530 HB3 ASP 71 HB1 ASP 71 2.364 3.130 -7.153 531 H ALA 72 HN ALA 72 1.622 0.797 -5.323 532 HA ALA 72 HA ALA 72 3.322 1.813 -3.397 533 HB1 ALA 72 HB1 ALA 72 2.144 0.468 -1.791 534 HB2 ALA 72 HB2 ALA 72 1.635 -0.643 -3.027 535 HB3 ALA 72 HB3 ALA 72 0.972 1.001 -3.009 536 H THR 73 HN THR 73 2.926 -1.555 -4.109 537 HA THR 73 HA THR 73 4.855 -2.532 -2.523 538 HB THR 73 HB THR 73 3.893 -3.629 -5.150 539 HG1 THR 73 HG1 THR 73 2.127 -3.552 -4.041 540 HG21 THR 73 HG21 THR 73 5.844 -4.743 -4.290 541 HG22 THR 73 HG22 THR 73 4.402 -5.780 -4.100 542 HG23 THR 73 HG23 THR 73 5.064 -4.867 -2.720 543 H LYS 74 HN LYS 74 5.245 -1.877 -6.001 544 HA LYS 74 HA LYS 74 7.852 -2.631 -6.293 545 HB2 LYS 74 HB2 LYS 74 5.889 -1.018 -7.627 546 HB3 LYS 74 HB1 LYS 74 7.532 -0.592 -8.085 547 HG2 LYS 74 HG2 LYS 74 6.648 -2.224 -9.655 548 HG3 LYS 74 HG1 LYS 74 7.926 -2.959 -8.689 549 HD2 LYS 74 HD2 LYS 74 6.243 -4.042 -7.285 550 HD3 LYS 74 HD1 LYS 74 4.959 -3.279 -8.225 551 HE2 LYS 74 HE2 LYS 74 7.011 -5.214 -9.297 552 HE3 LYS 74 HE1 LYS 74 5.347 -5.618 -8.890 553 HZ1 LYS 74 HZ1 LYS 74 5.629 -5.253 -11.255 554 HZ2 LYS 74 HZ2 LYS 74 6.150 -3.659 -11.003 555 HZ3 LYS 74 HZ3 LYS 74 4.586 -4.107 -10.605 556 H TYR 75 HN TYR 75 6.417 0.324 -5.240 557 HA TYR 75 HA TYR 75 8.759 1.892 -5.225 558 HB2 TYR 75 HB2 TYR 75 6.431 2.809 -5.086 559 HB3 TYR 75 HB1 TYR 75 6.304 2.090 -3.523 560 HD1 TYR 75 HD1 TYR 75 8.468 4.569 -5.273 561 HD2 TYR 75 HD2 TYR 75 6.911 3.139 -1.591 562 HE1 TYR 75 HE1 TYR 75 9.549 6.427 -4.097 563 HE2 TYR 75 HE2 TYR 75 7.951 4.954 -0.406 564 HH TYR 75 HH TYR 75 9.247 7.686 -1.965 565 H ILE 76 HN ILE 76 7.039 0.039 -2.862 566 HA ILE 76 HA ILE 76 8.529 0.585 -0.601 567 HB ILE 76 HB ILE 76 6.802 -1.756 -1.399 568 HG12 ILE 76 HG12 ILE 76 6.266 0.389 0.610 569 HG13 ILE 76 HG11 ILE 76 5.935 0.612 -1.104 570 HG21 ILE 76 HG21 ILE 76 6.732 -2.376 0.965 571 HG22 ILE 76 HG22 ILE 76 7.938 -1.138 1.324 572 HG23 ILE 76 HG23 ILE 76 8.365 -2.519 0.316 573 HD11 ILE 76 HD11 ILE 76 4.492 -1.288 -1.083 574 HD12 ILE 76 HD12 ILE 76 3.941 -0.098 0.107 575 HD13 ILE 76 HD13 ILE 76 4.803 -1.568 0.629 576 H LEU 77 HN LEU 77 8.551 -2.445 -2.542 577 HA LEU 77 HA LEU 77 10.626 -3.544 -1.335 578 HB2 LEU 77 HB2 LEU 77 10.799 -4.973 -3.420 579 HB3 LEU 77 HB1 LEU 77 9.217 -4.889 -2.610 580 HG LEU 77 HG LEU 77 8.889 -3.110 -4.359 581 HD11 LEU 77 HD11 LEU 77 9.951 -3.701 -6.566 582 HD12 LEU 77 HD12 LEU 77 10.983 -4.843 -5.710 583 HD13 LEU 77 HD13 LEU 77 11.111 -3.116 -5.374 584 HD21 LEU 77 HD21 LEU 77 8.787 -6.043 -4.921 585 HD22 LEU 77 HD22 LEU 77 7.922 -4.819 -5.865 586 HD23 LEU 77 HD23 LEU 77 7.560 -5.042 -4.144 587 H ASP 78 HN ASP 78 10.630 -1.351 -3.960 588 HA ASP 78 HA ASP 78 13.319 -1.772 -4.804 589 HB2 ASP 78 HB2 ASP 78 11.981 -1.085 -6.476 590 HB3 ASP 78 HB1 ASP 78 11.114 0.138 -5.602 591 H HIS 79 HN HIS 79 11.775 0.177 -2.476 592 HA HIS 79 HA HIS 79 14.292 1.558 -1.999 593 HB2 HIS 79 HB2 HIS 79 11.503 2.226 -1.092 594 HB3 HIS 79 HB1 HIS 79 12.926 3.002 -0.420 595 HD1 HIS 79 HD1 HIS 79 13.593 5.134 -1.594 596 HD2 HIS 79 HD2 HIS 79 11.367 2.607 -4.033 597 HE1 HIS 79 HE1 HIS 79 13.216 6.396 -3.720 598 HE2 HIS 79 HE2 HIS 79 12.045 4.732 -5.248 599 H GLN 80 HN GLN 80 12.668 -1.157 -0.890 600 HA GLN 80 HA GLN 80 13.415 -1.050 1.898 601 HB2 GLN 80 HB2 GLN 80 13.124 -3.449 0.202 602 HB3 GLN 80 HB1 GLN 80 13.084 -3.389 1.948 603 HG2 GLN 80 HG2 GLN 80 11.037 -2.223 1.866 604 HG3 GLN 80 HG1 GLN 80 11.071 -2.250 0.092 605 HE21 GLN 80 HE21 GLN 80 9.142 -3.346 1.751 606 HE22 GLN 80 HE22 GLN 80 9.078 -5.081 1.558 607 H ALA 81 HN ALA 81 14.347 -2.899 -0.644 608 HA ALA 81 HA ALA 81 17.082 -2.732 0.244 609 HB1 ALA 81 HB1 ALA 81 16.248 -4.885 0.973 610 HB2 ALA 81 HB2 ALA 81 17.482 -5.122 -0.261 611 HB3 ALA 81 HB3 ALA 81 15.773 -5.290 -0.677 612 H1 SYO 101 H1A SYO 101 -3.634 6.275 0.353 613 H1A SYO 101 H1B SYO 101 -2.134 7.209 0.522 614 H2 SYO 101 H2A SYO 101 -1.718 7.148 -1.627 615 H2A SYO 101 H2B SYO 101 -3.404 7.078 -2.190 616 H4 SYO 101 H4A SYO 101 -0.498 5.373 -1.215 617 H4A SYO 101 H4B SYO 101 -0.914 4.247 -2.501 618 H5 SYO 101 H5A SYO 101 -1.781 2.669 -0.928 619 H5A SYO 101 H5B SYO 101 -1.544 3.806 0.399 620 H6 SYO 101 H6A SYO 101 0.849 3.784 -0.013 621 H6A SYO 101 H6B SYO 101 0.609 2.640 -1.333 622 H7 SYO 101 H7A SYO 101 -0.256 0.991 0.211 623 H7A SYO 101 H7B SYO 101 -0.080 2.142 1.554 624 H8 SYO 101 H8C SYO 101 2.319 2.248 1.110 625 H8A SYO 101 H8A SYO 101 2.125 1.107 -0.219 626 H8B SYO 101 H8B SYO 101 1.809 0.591 1.437 627 H28 SYO 101 H28A SYO 101 -7.608 11.476 -1.303 628 H28A SYO 101 H28B SYO 101 -7.761 9.766 -1.663 629 H30 SYO 101 H30A SYO 101 -9.043 12.994 -2.908 630 H30A SYO 101 H30B SYO 101 -10.306 11.766 -2.886 631 H30B SYO 101 H30C SYO 101 -9.641 12.310 -4.439 632 H31 SYO 101 H31A SYO 101 -7.210 11.654 -4.959 633 H31A SYO 101 H31B SYO 101 -6.339 10.688 -3.765 634 H31B SYO 101 H31C SYO 101 -6.738 12.369 -3.412 635 H32 SYO 101 H32A SYO 101 -9.612 9.203 -3.360 636 HO33 SYO 101 H33A SYO 101 -9.584 9.253 -5.804 637 HN36 SYO 101 H36A SYO 101 -7.319 8.874 -2.511 638 H37 SYO 101 H37A SYO 101 -5.642 7.255 -2.351 639 H37A SYO 101 H37B SYO 101 -6.376 6.472 -3.745 640 H38 SYO 101 H38A SYO 101 -4.071 7.087 -4.111 641 H38A SYO 101 H38B SYO 101 -5.116 7.935 -5.278 642 HN41 SYO 101 H41A SYO 101 -4.479 8.648 -1.962 643 H42 SYO 101 H42A SYO 101 -2.682 10.876 -2.471 644 H42A SYO 101 H42B SYO 101 -4.200 11.130 -1.641 645 H43 SYO 101 H43A SYO 101 -2.736 10.727 0.140 646 H43A SYO 101 H43B SYO 101 -1.963 9.447 -0.765 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 14.205 -7.178 5.282 2 H2 ALA 1 HT2 ALA 1 13.120 -6.140 6.009 3 H3 ALA 1 HT3 ALA 1 14.658 -5.581 5.560 4 HA ALA 1 HA ALA 1 12.918 -4.857 3.968 5 HB1 ALA 1 HB1 ALA 1 15.205 -5.287 3.140 6 HB2 ALA 1 HB2 ALA 1 13.963 -5.642 1.940 7 HB3 ALA 1 HB3 ALA 1 14.745 -6.959 2.816 8 H ALA 2 HN ALA 2 11.800 -5.810 1.932 9 HA ALA 2 HA ALA 2 10.449 -8.251 2.550 10 HB1 ALA 2 HB1 ALA 2 8.265 -7.056 2.486 11 HB2 ALA 2 HB2 ALA 2 9.160 -5.543 2.646 12 HB3 ALA 2 HB3 ALA 2 9.225 -6.749 3.932 13 H THR 3 HN THR 3 10.062 -9.091 0.695 14 HA THR 3 HA THR 3 10.118 -7.413 -1.714 15 HB THR 3 HB THR 3 11.480 -9.590 -1.660 16 HG1 THR 3 HG1 THR 3 10.894 -8.617 -3.567 17 HG21 THR 3 HG21 THR 3 8.744 -10.868 -1.867 18 HG22 THR 3 HG22 THR 3 9.844 -11.009 -0.498 19 HG23 THR 3 HG23 THR 3 10.287 -11.701 -2.059 20 H GLN 4 HN GLN 4 8.373 -8.183 -3.417 21 HA GLN 4 HA GLN 4 5.937 -7.276 -2.608 22 HB2 GLN 4 HB2 GLN 4 6.246 -7.418 -4.924 23 HB3 GLN 4 HB1 GLN 4 6.592 -9.138 -4.873 24 HG2 GLN 4 HG2 GLN 4 3.900 -8.207 -4.034 25 HG3 GLN 4 HG1 GLN 4 4.272 -8.192 -5.747 26 HE21 GLN 4 HE21 GLN 4 2.353 -9.871 -4.167 27 HE22 GLN 4 HE22 GLN 4 2.814 -11.497 -4.480 28 H GLU 5 HN GLU 5 6.929 -10.617 -2.410 29 HA GLU 5 HA GLU 5 4.440 -11.726 -1.772 30 HB2 GLU 5 HB2 GLU 5 7.144 -12.687 -0.868 31 HB3 GLU 5 HB1 GLU 5 5.665 -13.639 -0.940 32 HG2 GLU 5 HG2 GLU 5 5.613 -13.236 -3.389 33 HG3 GLU 5 HG1 GLU 5 7.192 -12.470 -3.241 34 H GLU 6 HN GLU 6 6.730 -10.034 0.227 35 HA GLU 6 HA GLU 6 5.253 -10.663 2.634 36 HB2 GLU 6 HB2 GLU 6 7.808 -10.345 2.621 37 HB3 GLU 6 HB1 GLU 6 7.482 -8.699 2.208 38 HG2 GLU 6 HG2 GLU 6 7.948 -8.848 4.566 39 HG3 GLU 6 HG1 GLU 6 6.277 -8.354 4.308 40 H ILE 7 HN ILE 7 5.588 -8.101 0.221 41 HA ILE 7 HA ILE 7 4.585 -6.006 1.876 42 HB ILE 7 HB ILE 7 5.004 -6.170 -1.106 43 HG12 ILE 7 HG12 ILE 7 6.637 -4.839 1.051 44 HG13 ILE 7 HG11 ILE 7 7.006 -6.408 0.342 45 HG21 ILE 7 HG21 ILE 7 4.435 -3.765 0.643 46 HG22 ILE 7 HG22 ILE 7 3.339 -4.456 -0.553 47 HG23 ILE 7 HG23 ILE 7 4.855 -3.716 -1.070 48 HD11 ILE 7 HD11 ILE 7 6.875 -3.805 -1.129 49 HD12 ILE 7 HD12 ILE 7 7.280 -5.378 -1.815 50 HD13 ILE 7 HD13 ILE 7 8.346 -4.633 -0.607 51 H VAL 8 HN VAL 8 3.246 -7.311 -1.143 52 HA VAL 8 HA VAL 8 0.715 -6.188 -0.767 53 HB VAL 8 HB VAL 8 1.445 -8.668 -2.325 54 HG11 VAL 8 HG11 VAL 8 -0.487 -8.102 -3.752 55 HG12 VAL 8 HG12 VAL 8 -0.869 -6.751 -2.686 56 HG13 VAL 8 HG13 VAL 8 -0.977 -8.405 -2.085 57 HG21 VAL 8 HG21 VAL 8 1.481 -5.787 -3.164 58 HG22 VAL 8 HG22 VAL 8 1.720 -7.161 -4.247 59 HG23 VAL 8 HG23 VAL 8 2.867 -6.843 -2.944 60 H ALA 9 HN ALA 9 1.900 -9.310 0.158 61 HA ALA 9 HA ALA 9 -0.487 -10.373 1.107 62 HB1 ALA 9 HB1 ALA 9 1.542 -11.671 0.801 63 HB2 ALA 9 HB2 ALA 9 0.906 -11.858 2.433 64 HB3 ALA 9 HB3 ALA 9 2.299 -10.817 2.143 65 H GLY 10 HN GLY 10 1.822 -8.156 2.630 66 HA2 GLY 10 HA2 GLY 10 0.553 -8.353 5.168 67 HA3 GLY 10 HA1 GLY 10 1.948 -7.375 4.758 68 H LEU 11 HN LEU 11 0.845 -6.148 2.553 69 HA LEU 11 HA LEU 11 -0.336 -3.923 3.749 70 HB2 LEU 11 HB2 LEU 11 0.951 -4.553 1.426 71 HB3 LEU 11 HB1 LEU 11 -0.686 -4.299 0.870 72 HG LEU 11 HG LEU 11 0.969 -2.292 2.407 73 HD11 LEU 11 HD11 LEU 11 0.221 -2.436 -0.510 74 HD12 LEU 11 HD12 LEU 11 1.833 -2.692 0.166 75 HD13 LEU 11 HD13 LEU 11 1.074 -1.104 0.270 76 HD21 LEU 11 HD21 LEU 11 -1.416 -2.058 2.805 77 HD22 LEU 11 HD22 LEU 11 -1.711 -2.037 1.065 78 HD23 LEU 11 HD23 LEU 11 -0.799 -0.731 1.821 79 H ALA 12 HN ALA 12 -1.555 -6.666 1.890 80 HA ALA 12 HA ALA 12 -4.238 -6.013 1.620 81 HB1 ALA 12 HB1 ALA 12 -3.237 -8.007 0.636 82 HB2 ALA 12 HB2 ALA 12 -4.645 -8.406 1.639 83 HB3 ALA 12 HB3 ALA 12 -3.023 -8.690 2.252 84 H GLU 13 HN GLU 13 -2.537 -7.558 4.305 85 HA GLU 13 HA GLU 13 -4.749 -7.979 5.954 86 HB2 GLU 13 HB2 GLU 13 -1.851 -7.642 6.654 87 HB3 GLU 13 HB1 GLU 13 -3.086 -8.216 7.768 88 HG2 GLU 13 HG2 GLU 13 -3.515 -10.110 6.397 89 HG3 GLU 13 HG1 GLU 13 -2.392 -9.525 5.169 90 H ILE 14 HN ILE 14 -2.520 -5.359 5.736 91 HA ILE 14 HA ILE 14 -3.490 -3.788 7.870 92 HB ILE 14 HB ILE 14 -2.313 -2.893 5.217 93 HG12 ILE 14 HG12 ILE 14 -0.915 -3.292 7.860 94 HG13 ILE 14 HG11 ILE 14 -1.025 -4.551 6.644 95 HG21 ILE 14 HG21 ILE 14 -3.420 -1.059 6.403 96 HG22 ILE 14 HG22 ILE 14 -1.669 -0.859 6.414 97 HG23 ILE 14 HG23 ILE 14 -2.499 -1.439 7.860 98 HD11 ILE 14 HD11 ILE 14 1.086 -3.439 6.573 99 HD12 ILE 14 HD12 ILE 14 0.283 -1.875 6.288 100 HD13 ILE 14 HD13 ILE 14 0.165 -3.184 5.092 101 H VAL 15 HN VAL 15 -4.466 -4.042 4.524 102 HA VAL 15 HA VAL 15 -6.340 -1.904 4.500 103 HB VAL 15 HB VAL 15 -5.869 -4.224 2.597 104 HG11 VAL 15 HG11 VAL 15 -8.163 -3.454 2.375 105 HG12 VAL 15 HG12 VAL 15 -7.186 -3.017 0.974 106 HG13 VAL 15 HG13 VAL 15 -7.590 -1.796 2.187 107 HG21 VAL 15 HG21 VAL 15 -4.878 -2.522 1.199 108 HG22 VAL 15 HG22 VAL 15 -4.076 -2.672 2.768 109 HG23 VAL 15 HG23 VAL 15 -5.182 -1.320 2.462 110 H ASN 16 HN ASN 16 -6.438 -5.140 5.409 111 HA ASN 16 HA ASN 16 -9.281 -5.607 5.306 112 HB2 ASN 16 HB2 ASN 16 -7.364 -6.942 7.234 113 HB3 ASN 16 HB1 ASN 16 -8.918 -7.524 6.694 114 HD21 ASN 16 HD21 ASN 16 -8.518 -7.068 3.955 115 HD22 ASN 16 HD22 ASN 16 -7.206 -8.145 3.503 116 H GLU 17 HN GLU 17 -7.001 -4.591 7.787 117 HA GLU 17 HA GLU 17 -9.052 -4.440 9.790 118 HB2 GLU 17 HB2 GLU 17 -6.155 -3.666 9.986 119 HB3 GLU 17 HB1 GLU 17 -7.270 -3.919 11.323 120 HG2 GLU 17 HG2 GLU 17 -7.545 -6.266 10.588 121 HG3 GLU 17 HG1 GLU 17 -6.309 -5.986 9.365 122 H ILE 18 HN ILE 18 -7.150 -2.136 7.920 123 HA ILE 18 HA ILE 18 -8.036 0.190 9.334 124 HB ILE 18 HB ILE 18 -7.077 -0.091 6.468 125 HG12 ILE 18 HG12 ILE 18 -5.474 -0.818 8.257 126 HG13 ILE 18 HG11 ILE 18 -4.867 0.460 7.224 127 HG21 ILE 18 HG21 ILE 18 -6.581 2.312 6.571 128 HG22 ILE 18 HG22 ILE 18 -7.323 2.385 8.171 129 HG23 ILE 18 HG23 ILE 18 -8.304 1.977 6.763 130 HD11 ILE 18 HD11 ILE 18 -4.244 0.825 9.513 131 HD12 ILE 18 HD12 ILE 18 -5.922 0.689 10.048 132 HD13 ILE 18 HD13 ILE 18 -5.414 2.057 9.049 133 H ALA 19 HN ALA 19 -9.006 -1.270 6.242 134 HA ALA 19 HA ALA 19 -11.466 0.295 6.362 135 HB1 ALA 19 HB1 ALA 19 -11.709 -0.159 3.964 136 HB2 ALA 19 HB2 ALA 19 -10.242 -1.138 3.997 137 HB3 ALA 19 HB3 ALA 19 -10.151 0.595 4.306 138 H GLY 20 HN GLY 20 -11.004 -2.584 4.553 139 HA2 GLY 20 HA2 GLY 20 -11.867 -4.551 6.294 140 HA3 GLY 20 HA1 GLY 20 -13.342 -3.821 5.694 141 H ILE 21 HN ILE 21 -10.346 -4.362 3.975 142 HA ILE 21 HA ILE 21 -11.798 -5.669 1.877 143 HB ILE 21 HB ILE 21 -9.087 -4.642 2.242 144 HG12 ILE 21 HG12 ILE 21 -9.333 -4.010 -0.149 145 HG13 ILE 21 HG11 ILE 21 -10.850 -4.898 -0.190 146 HG21 ILE 21 HG21 ILE 21 -7.993 -5.933 0.421 147 HG22 ILE 21 HG22 ILE 21 -9.303 -7.114 0.519 148 HG23 ILE 21 HG23 ILE 21 -8.265 -6.838 1.896 149 HD11 ILE 21 HD11 ILE 21 -10.254 -2.489 1.511 150 HD12 ILE 21 HD12 ILE 21 -11.783 -3.365 1.473 151 HD13 ILE 21 HD13 ILE 21 -11.218 -2.510 0.035 152 HA PRO 22 HA PRO 22 -11.256 -9.765 3.386 153 HB2 PRO 22 HB2 PRO 22 -11.511 -10.719 0.706 154 HB3 PRO 22 HB1 PRO 22 -12.741 -10.777 2.023 155 HG2 PRO 22 HG2 PRO 22 -12.922 -9.280 -0.253 156 HG3 PRO 22 HG1 PRO 22 -13.668 -8.753 1.283 157 HD2 PRO 22 HD2 PRO 22 -11.106 -7.961 -0.036 158 HD3 PRO 22 HD1 PRO 22 -12.306 -6.952 0.802 159 H VAL 23 HN VAL 23 -8.785 -8.515 2.375 160 HA VAL 23 HA VAL 23 -6.610 -8.907 1.922 161 HB VAL 23 HB VAL 23 -6.914 -10.270 3.984 162 HG11 VAL 23 HG11 VAL 23 -6.681 -12.706 3.923 163 HG12 VAL 23 HG12 VAL 23 -6.868 -12.654 2.170 164 HG13 VAL 23 HG13 VAL 23 -8.188 -12.129 3.212 165 HG21 VAL 23 HG21 VAL 23 -4.671 -11.153 2.182 166 HG22 VAL 23 HG22 VAL 23 -4.715 -11.388 3.930 167 HG23 VAL 23 HG23 VAL 23 -4.679 -9.758 3.259 168 H GLU 24 HN GLU 24 -8.651 -10.831 0.124 169 HA GLU 24 HA GLU 24 -6.472 -11.902 -1.510 170 HB2 GLU 24 HB2 GLU 24 -9.446 -12.173 -1.745 171 HB3 GLU 24 HB1 GLU 24 -8.280 -13.050 -2.735 172 HG2 GLU 24 HG2 GLU 24 -8.716 -13.298 0.238 173 HG3 GLU 24 HG1 GLU 24 -9.186 -14.463 -0.997 174 H ASP 25 HN ASP 25 -8.428 -9.201 -1.398 175 HA ASP 25 HA ASP 25 -8.748 -8.837 -4.257 176 HB2 ASP 25 HB2 ASP 25 -9.554 -7.155 -1.895 177 HB3 ASP 25 HB1 ASP 25 -9.759 -6.614 -3.555 178 H VAL 26 HN VAL 26 -6.682 -7.876 -1.801 179 HA VAL 26 HA VAL 26 -5.563 -5.556 -3.112 180 HB VAL 26 HB VAL 26 -4.318 -7.243 -0.904 181 HG11 VAL 26 HG11 VAL 26 -3.110 -5.186 -0.328 182 HG12 VAL 26 HG12 VAL 26 -3.769 -4.401 -1.767 183 HG13 VAL 26 HG13 VAL 26 -2.671 -5.771 -1.937 184 HG21 VAL 26 HG21 VAL 26 -6.509 -6.442 -0.250 185 HG22 VAL 26 HG22 VAL 26 -6.057 -4.799 -0.701 186 HG23 VAL 26 HG23 VAL 26 -5.243 -5.601 0.642 187 H LYS 27 HN LYS 27 -4.823 -5.992 -5.130 188 HA LYS 27 HA LYS 27 -2.724 -8.030 -5.442 189 HB2 LYS 27 HB2 LYS 27 -5.205 -8.370 -6.420 190 HB3 LYS 27 HB1 LYS 27 -4.589 -7.230 -7.615 191 HG2 LYS 27 HG2 LYS 27 -4.386 -9.481 -8.430 192 HG3 LYS 27 HG1 LYS 27 -2.791 -8.770 -8.174 193 HD2 LYS 27 HD2 LYS 27 -2.886 -11.101 -7.388 194 HD3 LYS 27 HD1 LYS 27 -2.564 -9.976 -6.069 195 HE2 LYS 27 HE2 LYS 27 -4.887 -10.106 -5.356 196 HE3 LYS 27 HE1 LYS 27 -5.278 -11.138 -6.730 197 HZ1 LYS 27 HZ1 LYS 27 -3.866 -12.832 -5.857 198 HZ2 LYS 27 HZ2 LYS 27 -4.936 -12.407 -4.640 199 HZ3 LYS 27 HZ3 LYS 27 -3.332 -11.852 -4.612 200 H LEU 28 HN LEU 28 -1.286 -7.351 -7.279 201 HA LEU 28 HA LEU 28 -0.614 -4.595 -7.235 202 HB2 LEU 28 HB2 LEU 28 0.114 -6.664 -9.332 203 HB3 LEU 28 HB1 LEU 28 0.864 -5.096 -9.132 204 HG LEU 28 HG LEU 28 1.017 -7.381 -7.166 205 HD11 LEU 28 HD11 LEU 28 2.234 -7.848 -9.220 206 HD12 LEU 28 HD12 LEU 28 3.353 -7.537 -7.890 207 HD13 LEU 28 HD13 LEU 28 3.056 -6.292 -9.104 208 HD21 LEU 28 HD21 LEU 28 2.703 -6.024 -6.066 209 HD22 LEU 28 HD22 LEU 28 1.144 -5.184 -6.134 210 HD23 LEU 28 HD23 LEU 28 2.435 -4.745 -7.255 211 H ASP 29 HN ASP 29 -0.903 -3.036 -8.666 212 HA ASP 29 HA ASP 29 -1.886 -1.706 -10.204 213 HB2 ASP 29 HB2 ASP 29 -1.398 -3.648 -11.801 214 HB3 ASP 29 HB1 ASP 29 -3.030 -4.189 -11.511 215 H LYS 30 HN LYS 30 -3.326 -3.150 -7.823 216 HA LYS 30 HA LYS 30 -6.048 -2.275 -8.519 217 HB2 LYS 30 HB2 LYS 30 -5.186 -3.738 -6.032 218 HB3 LYS 30 HB1 LYS 30 -6.764 -3.106 -6.536 219 HG2 LYS 30 HG2 LYS 30 -5.332 -5.240 -8.088 220 HG3 LYS 30 HG1 LYS 30 -6.368 -5.583 -6.693 221 HD2 LYS 30 HD2 LYS 30 -8.238 -4.480 -7.808 222 HD3 LYS 30 HD1 LYS 30 -7.218 -4.143 -9.210 223 HE2 LYS 30 HE2 LYS 30 -6.868 -6.539 -9.527 224 HE3 LYS 30 HE1 LYS 30 -7.872 -6.875 -8.121 225 HZ1 LYS 30 HZ1 LYS 30 -8.795 -5.520 -10.591 226 HZ2 LYS 30 HZ2 LYS 30 -9.778 -5.967 -9.279 227 HZ3 LYS 30 HZ3 LYS 30 -9.047 -7.147 -10.239 228 H SER 31 HN SER 31 -6.677 -0.619 -7.798 229 HA SER 31 HA SER 31 -5.150 1.099 -6.024 230 HB2 SER 31 HB2 SER 31 -7.856 1.595 -7.229 231 HB3 SER 31 HB1 SER 31 -6.710 2.817 -6.654 232 HG SER 31 HG SER 31 -6.671 1.190 -8.926 233 H PHE 32 HN PHE 32 -5.359 0.530 -4.022 234 HA PHE 32 HA PHE 32 -7.197 -0.773 -2.521 235 HB2 PHE 32 HB2 PHE 32 -5.854 1.740 -1.572 236 HB3 PHE 32 HB1 PHE 32 -6.397 0.389 -0.603 237 HD1 PHE 32 HD1 PHE 32 -3.821 1.641 -2.845 238 HD2 PHE 32 HD2 PHE 32 -5.038 -1.597 -0.390 239 HE1 PHE 32 HE1 PHE 32 -1.582 0.666 -3.014 240 HE2 PHE 32 HE2 PHE 32 -2.790 -2.574 -0.542 241 HZ PHE 32 HZ PHE 32 -0.994 -1.285 -1.637 242 H THR 33 HN THR 33 -7.041 2.734 -2.923 243 HA THR 33 HA THR 33 -9.469 3.390 -1.688 244 HB THR 33 HB THR 33 -7.415 4.681 -1.696 245 HG1 THR 33 HG1 THR 33 -9.808 5.791 -2.657 246 HG21 THR 33 HG21 THR 33 -6.625 4.123 -3.914 247 HG22 THR 33 HG22 THR 33 -6.707 5.874 -3.733 248 HG23 THR 33 HG23 THR 33 -7.952 5.024 -4.644 249 H ASP 34 HN ASP 34 -9.547 1.695 -4.387 250 HA ASP 34 HA ASP 34 -11.805 3.157 -5.504 251 HB2 ASP 34 HB2 ASP 34 -9.893 4.254 -6.624 252 HB3 ASP 34 HB1 ASP 34 -9.367 2.694 -7.236 253 H ASP 35 HN ASP 35 -9.458 0.752 -6.515 254 HA ASP 35 HA ASP 35 -11.309 -0.954 -7.829 255 HB2 ASP 35 HB2 ASP 35 -8.474 -1.163 -6.945 256 HB3 ASP 35 HB1 ASP 35 -9.195 -2.565 -7.652 257 H LEU 36 HN LEU 36 -9.686 -0.909 -4.779 258 HA LEU 36 HA LEU 36 -10.929 -3.342 -3.941 259 HB2 LEU 36 HB2 LEU 36 -9.419 -1.361 -2.251 260 HB3 LEU 36 HB1 LEU 36 -9.780 -3.003 -1.798 261 HG LEU 36 HG LEU 36 -7.803 -1.985 -3.780 262 HD11 LEU 36 HD11 LEU 36 -7.070 -2.140 -1.512 263 HD12 LEU 36 HD12 LEU 36 -6.260 -3.365 -2.494 264 HD13 LEU 36 HD13 LEU 36 -7.587 -3.823 -1.426 265 HD21 LEU 36 HD21 LEU 36 -7.346 -4.268 -4.457 266 HD22 LEU 36 HD22 LEU 36 -8.975 -3.754 -4.904 267 HD23 LEU 36 HD23 LEU 36 -8.736 -4.833 -3.520 268 H ASP 37 HN ASP 37 -10.940 -0.525 -1.833 269 HA ASP 37 HA ASP 37 -13.540 0.432 -1.931 270 HB2 ASP 37 HB2 ASP 37 -14.168 -2.030 -1.510 271 HB3 ASP 37 HB1 ASP 37 -13.469 -1.844 0.087 272 H VAL 38 HN VAL 38 -10.681 0.852 -0.942 273 HA VAL 38 HA VAL 38 -11.103 1.305 1.890 274 HB VAL 38 HB VAL 38 -8.617 1.958 0.300 275 HG11 VAL 38 HG11 VAL 38 -8.727 2.976 2.500 276 HG12 VAL 38 HG12 VAL 38 -7.490 1.718 2.469 277 HG13 VAL 38 HG13 VAL 38 -9.046 1.403 3.232 278 HG21 VAL 38 HG21 VAL 38 -9.129 -0.377 -0.057 279 HG22 VAL 38 HG22 VAL 38 -9.290 -0.624 1.681 280 HG23 VAL 38 HG23 VAL 38 -7.722 -0.205 0.990 281 H ASP 39 HN ASP 39 -11.055 3.279 2.792 282 HA ASP 39 HA ASP 39 -11.814 5.449 1.043 283 HB2 ASP 39 HB2 ASP 39 -11.654 5.212 4.037 284 HB3 ASP 39 HB1 ASP 39 -11.909 6.766 3.251 285 H SER 40 HN SER 40 -10.469 6.711 0.171 286 HA SER 40 HA SER 40 -7.888 7.108 0.168 287 HB2 SER 40 HB2 SER 40 -9.169 8.371 -1.197 288 HB3 SER 40 HB1 SER 40 -10.070 9.103 0.139 289 H LEU 41 HN LEU 41 -9.922 8.616 2.670 290 HA LEU 41 HA LEU 41 -7.732 9.947 3.744 291 HB2 LEU 41 HB2 LEU 41 -9.194 10.540 5.676 292 HB3 LEU 41 HB1 LEU 41 -9.878 10.903 4.112 293 HG LEU 41 HG LEU 41 -11.166 8.656 4.435 294 HD11 LEU 41 HD11 LEU 41 -11.700 8.128 6.754 295 HD12 LEU 41 HD12 LEU 41 -10.494 9.300 7.294 296 HD13 LEU 41 HD13 LEU 41 -9.991 7.867 6.396 297 HD21 LEU 41 HD21 LEU 41 -11.830 11.118 6.029 298 HD22 LEU 41 HD22 LEU 41 -12.966 9.843 5.586 299 HD23 LEU 41 HD23 LEU 41 -12.213 10.831 4.331 300 H SER 42 HN SER 42 -9.022 6.759 4.350 301 HA SER 42 HA SER 42 -7.515 6.328 6.774 302 HB2 SER 42 HB2 SER 42 -8.927 4.291 5.034 303 HB3 SER 42 HB1 SER 42 -8.471 4.134 6.721 304 HG SER 42 HG SER 42 -9.999 5.618 7.314 305 H MET 43 HN MET 43 -7.059 6.135 3.426 306 HA MET 43 HA MET 43 -5.294 4.046 3.038 307 HB2 MET 43 HB2 MET 43 -5.592 6.662 1.613 308 HB3 MET 43 HB1 MET 43 -4.449 5.441 1.101 309 HG2 MET 43 HG2 MET 43 -7.366 4.790 1.371 310 HG3 MET 43 HG1 MET 43 -6.695 5.645 -0.021 311 HE1 MET 43 HE1 MET 43 -5.008 1.466 0.989 312 HE2 MET 43 HE2 MET 43 -6.086 2.310 2.107 313 HE3 MET 43 HE3 MET 43 -4.479 2.957 1.773 314 H VAL 44 HN VAL 44 -4.697 7.329 4.091 315 HA VAL 44 HA VAL 44 -2.014 7.533 3.786 316 HB VAL 44 HB VAL 44 -3.600 8.515 6.188 317 HG11 VAL 44 HG11 VAL 44 -1.211 8.621 6.620 318 HG12 VAL 44 HG12 VAL 44 -1.876 10.240 6.403 319 HG13 VAL 44 HG13 VAL 44 -0.959 9.479 5.101 320 HG21 VAL 44 HG21 VAL 44 -4.542 9.270 4.072 321 HG22 VAL 44 HG22 VAL 44 -2.958 9.871 3.574 322 HG23 VAL 44 HG23 VAL 44 -3.792 10.610 4.941 323 H GLU 45 HN GLU 45 -3.806 6.271 6.589 324 HA GLU 45 HA GLU 45 -1.835 5.474 8.383 325 HB2 GLU 45 HB2 GLU 45 -4.353 3.951 7.752 326 HB3 GLU 45 HB1 GLU 45 -3.450 3.928 9.254 327 HG2 GLU 45 HG2 GLU 45 -4.907 6.305 8.145 328 HG3 GLU 45 HG1 GLU 45 -5.502 5.137 9.335 329 H VAL 46 HN VAL 46 -3.404 3.679 5.807 330 HA VAL 46 HA VAL 46 -2.251 1.190 6.092 331 HB VAL 46 HB VAL 46 -3.175 2.512 3.536 332 HG11 VAL 46 HG11 VAL 46 -3.002 -0.393 4.259 333 HG12 VAL 46 HG12 VAL 46 -2.010 0.478 3.085 334 HG13 VAL 46 HG13 VAL 46 -3.735 0.265 2.795 335 HG21 VAL 46 HG21 VAL 46 -4.902 2.726 5.185 336 HG22 VAL 46 HG22 VAL 46 -4.773 1.018 5.603 337 HG23 VAL 46 HG23 VAL 46 -5.369 1.499 4.012 338 H VAL 47 HN VAL 47 -1.064 4.060 4.591 339 HA VAL 47 HA VAL 47 0.936 2.771 2.900 340 HB VAL 47 HB VAL 47 0.872 5.693 3.679 341 HG11 VAL 47 HG11 VAL 47 2.112 4.269 1.333 342 HG12 VAL 47 HG12 VAL 47 2.964 4.909 2.736 343 HG13 VAL 47 HG13 VAL 47 2.153 6.010 1.618 344 HG21 VAL 47 HG21 VAL 47 -0.306 6.108 1.581 345 HG22 VAL 47 HG22 VAL 47 -1.259 5.103 2.673 346 HG23 VAL 47 HG23 VAL 47 -0.421 4.371 1.305 347 H VAL 48 HN VAL 48 0.853 4.748 5.789 348 HA VAL 48 HA VAL 48 3.604 4.588 6.312 349 HB VAL 48 HB VAL 48 1.356 4.944 8.318 350 HG11 VAL 48 HG11 VAL 48 3.499 4.445 9.337 351 HG12 VAL 48 HG12 VAL 48 3.045 6.124 9.637 352 HG13 VAL 48 HG13 VAL 48 4.257 5.742 8.415 353 HG21 VAL 48 HG21 VAL 48 1.153 6.581 6.521 354 HG22 VAL 48 HG22 VAL 48 2.845 7.036 6.727 355 HG23 VAL 48 HG23 VAL 48 1.680 7.356 8.015 356 H ALA 49 HN ALA 49 0.828 2.539 7.069 357 HA ALA 49 HA ALA 49 2.130 0.978 8.901 358 HB1 ALA 49 HB1 ALA 49 -0.234 0.277 7.177 359 HB2 ALA 49 HB2 ALA 49 -0.282 1.012 8.780 360 HB3 ALA 49 HB3 ALA 49 0.294 -0.645 8.584 361 H ALA 50 HN ALA 50 1.751 0.890 5.461 362 HA ALA 50 HA ALA 50 2.857 -1.587 4.880 363 HB1 ALA 50 HB1 ALA 50 3.203 -0.687 2.606 364 HB2 ALA 50 HB2 ALA 50 2.856 0.941 3.196 365 HB3 ALA 50 HB3 ALA 50 1.604 -0.283 3.212 366 H GLU 51 HN GLU 51 4.449 1.641 4.888 367 HA GLU 51 HA GLU 51 6.941 0.423 4.451 368 HB2 GLU 51 HB2 GLU 51 7.982 2.588 5.117 369 HB3 GLU 51 HB1 GLU 51 6.980 2.714 3.738 370 HG2 GLU 51 HG2 GLU 51 6.110 4.377 4.659 371 HG3 GLU 51 HG1 GLU 51 5.239 3.298 5.754 372 H GLU 52 HN GLU 52 5.315 1.165 7.420 373 HA GLU 52 HA GLU 52 7.452 0.658 9.139 374 HB2 GLU 52 HB2 GLU 52 4.498 0.270 9.513 375 HB3 GLU 52 HB1 GLU 52 5.664 -0.045 10.790 376 HG2 GLU 52 HG2 GLU 52 6.413 2.282 10.647 377 HG3 GLU 52 HG1 GLU 52 5.188 2.573 9.411 378 H ARG 53 HN ARG 53 5.219 -1.588 7.595 379 HA ARG 53 HA ARG 53 6.424 -3.793 9.017 380 HB2 ARG 53 HB2 ARG 53 4.018 -3.913 8.577 381 HB3 ARG 53 HB1 ARG 53 4.306 -3.816 6.842 382 HG2 ARG 53 HG2 ARG 53 5.513 -5.944 6.929 383 HG3 ARG 53 HG1 ARG 53 5.211 -6.045 8.655 384 HD2 ARG 53 HD2 ARG 53 2.792 -6.233 8.221 385 HD3 ARG 53 HD1 ARG 53 3.075 -6.010 6.511 386 HE ARG 53 HE ARG 53 4.701 -8.070 7.112 387 HH11 ARG 53 HH11 ARG 53 1.224 -7.660 7.759 388 HH12 ARG 53 HH12 ARG 53 0.810 -9.234 7.238 389 HH21 ARG 53 HH21 ARG 53 4.099 -10.228 6.349 390 HH22 ARG 53 HH22 ARG 53 2.484 -10.741 6.571 391 H PHE 54 HN PHE 54 6.622 -2.415 5.782 392 HA PHE 54 HA PHE 54 8.140 -4.766 4.888 393 HB2 PHE 54 HB2 PHE 54 7.226 -2.483 3.157 394 HB3 PHE 54 HB1 PHE 54 7.722 -4.093 2.643 395 HD1 PHE 54 HD2 PHE 54 6.359 -5.787 4.475 396 HD2 PHE 54 HD1 PHE 54 5.043 -2.270 2.551 397 HE1 PHE 54 HE2 PHE 54 4.106 -6.632 4.513 398 HE2 PHE 54 HE1 PHE 54 2.787 -3.078 2.565 399 HZ PHE 54 HZ PHE 54 2.198 -5.023 3.890 400 H ASP 55 HN ASP 55 9.061 -2.469 6.483 401 HA ASP 55 HA ASP 55 11.197 -1.668 7.017 402 HB2 ASP 55 HB2 ASP 55 12.031 -3.873 6.384 403 HB3 ASP 55 HB1 ASP 55 12.037 -3.424 4.697 404 H VAL 56 HN VAL 56 9.621 -0.590 4.311 405 HA VAL 56 HA VAL 56 11.847 1.040 3.401 406 HB VAL 56 HB VAL 56 10.168 -0.051 1.787 407 HG11 VAL 56 HG11 VAL 56 8.339 2.061 2.780 408 HG12 VAL 56 HG12 VAL 56 8.169 0.311 2.951 409 HG13 VAL 56 HG13 VAL 56 8.088 1.055 1.355 410 HG21 VAL 56 HG21 VAL 56 10.092 1.718 0.224 411 HG22 VAL 56 HG22 VAL 56 11.651 1.781 1.061 412 HG23 VAL 56 HG23 VAL 56 10.353 2.927 1.474 413 H LYS 57 HN LYS 57 11.110 3.478 3.028 414 HA LYS 57 HA LYS 57 9.330 4.358 5.164 415 HB2 LYS 57 HB2 LYS 57 11.718 4.812 5.679 416 HB3 LYS 57 HB1 LYS 57 11.813 5.763 4.201 417 HG2 LYS 57 HG2 LYS 57 9.663 6.896 5.296 418 HG3 LYS 57 HG1 LYS 57 10.459 6.336 6.768 419 HD2 LYS 57 HD2 LYS 57 11.180 8.529 6.340 420 HD3 LYS 57 HD1 LYS 57 12.512 7.415 5.960 421 HE2 LYS 57 HE2 LYS 57 11.847 7.512 3.562 422 HE3 LYS 57 HE1 LYS 57 10.606 8.656 3.991 423 HZ1 LYS 57 HZ1 LYS 57 13.507 9.116 4.435 424 HZ2 LYS 57 HZ2 LYS 57 12.253 10.219 4.722 425 HZ3 LYS 57 HZ3 LYS 57 12.614 9.730 3.131 426 H ILE 58 HN ILE 58 7.817 5.690 4.375 427 HA ILE 58 HA ILE 58 8.141 6.470 1.557 428 HB ILE 58 HB ILE 58 5.547 5.619 2.901 429 HG12 ILE 58 HG12 ILE 58 7.191 4.218 0.777 430 HG13 ILE 58 HG11 ILE 58 7.129 3.755 2.471 431 HG21 ILE 58 HG21 ILE 58 6.129 6.359 0.032 432 HG22 ILE 58 HG22 ILE 58 5.203 7.324 1.180 433 HG23 ILE 58 HG23 ILE 58 4.588 5.759 0.647 434 HD11 ILE 58 HD11 ILE 58 4.819 3.712 0.540 435 HD12 ILE 58 HD12 ILE 58 4.761 3.233 2.240 436 HD13 ILE 58 HD13 ILE 58 5.747 2.317 1.098 437 HA PRO 59 HA PRO 59 7.698 10.615 3.365 438 HB2 PRO 59 HB2 PRO 59 7.625 11.830 0.917 439 HB3 PRO 59 HB1 PRO 59 9.146 11.406 1.743 440 HG2 PRO 59 HG2 PRO 59 7.606 9.933 -0.355 441 HG3 PRO 59 HG1 PRO 59 9.366 10.240 -0.295 442 HD2 PRO 59 HD2 PRO 59 8.417 7.872 0.403 443 HD3 PRO 59 HD1 PRO 59 9.670 8.636 1.412 444 H ASP 60 HN ASP 60 6.014 12.113 3.396 445 HA ASP 60 HA ASP 60 3.432 11.204 2.951 446 HB2 ASP 60 HB2 ASP 60 2.606 13.438 3.416 447 HB3 ASP 60 HB1 ASP 60 3.954 13.085 4.484 448 H ASP 61 HN ASP 61 5.535 12.861 0.682 449 HA ASP 61 HA ASP 61 3.430 13.342 -1.190 450 HB2 ASP 61 HB2 ASP 61 5.499 14.646 -1.376 451 HB3 ASP 61 HB1 ASP 61 6.392 13.172 -1.769 452 H ASP 62 HN ASP 62 5.707 10.690 -0.726 453 HA ASP 62 HA ASP 62 4.717 9.515 -3.136 454 HB2 ASP 62 HB2 ASP 62 6.763 8.600 -1.193 455 HB3 ASP 62 HB1 ASP 62 6.043 7.438 -2.308 456 H VAL 63 HN VAL 63 3.945 9.323 0.136 457 HA VAL 63 HA VAL 63 2.305 7.098 0.273 458 HB VAL 63 HB VAL 63 1.849 9.924 1.368 459 HG11 VAL 63 HG11 VAL 63 0.462 7.386 2.178 460 HG12 VAL 63 HG12 VAL 63 -0.266 8.737 1.320 461 HG13 VAL 63 HG13 VAL 63 0.303 8.949 2.978 462 HG21 VAL 63 HG21 VAL 63 2.918 7.451 2.711 463 HG22 VAL 63 HG22 VAL 63 2.638 9.009 3.486 464 HG23 VAL 63 HG23 VAL 63 3.858 8.860 2.221 465 H LYS 64 HN LYS 64 1.581 10.300 -0.994 466 HA LYS 64 HA LYS 64 -1.019 9.547 -1.997 467 HB2 LYS 64 HB2 LYS 64 -0.888 11.905 -3.104 468 HB3 LYS 64 HB1 LYS 64 -1.041 11.779 -1.355 469 HG2 LYS 64 HG2 LYS 64 1.180 12.341 -1.001 470 HG3 LYS 64 HG1 LYS 64 1.629 11.982 -2.659 471 HD2 LYS 64 HD2 LYS 64 -0.157 14.276 -1.882 472 HD3 LYS 64 HD1 LYS 64 1.608 14.363 -1.999 473 HE2 LYS 64 HE2 LYS 64 -0.203 13.518 -4.272 474 HE3 LYS 64 HE1 LYS 64 0.431 15.149 -4.068 475 HZ1 LYS 64 HZ1 LYS 64 2.070 12.680 -4.564 476 HZ2 LYS 64 HZ2 LYS 64 2.704 14.183 -4.199 477 HZ3 LYS 64 HZ3 LYS 64 1.836 13.982 -5.611 478 H ASN 65 HN ASN 65 1.968 8.762 -3.274 479 HA ASN 65 HA ASN 65 1.216 9.318 -6.015 480 HB2 ASN 65 HB2 ASN 65 3.693 8.297 -4.759 481 HB3 ASN 65 HB1 ASN 65 3.481 8.476 -6.473 482 HD21 ASN 65 HD21 ASN 65 5.498 9.867 -4.941 483 HD22 ASN 65 HD22 ASN 65 5.153 11.554 -5.000 484 H LEU 66 HN LEU 66 1.239 6.904 -3.642 485 HA LEU 66 HA LEU 66 1.273 4.743 -5.507 486 HB2 LEU 66 HB2 LEU 66 0.492 4.700 -2.581 487 HB3 LEU 66 HB1 LEU 66 1.068 3.370 -3.555 488 HG LEU 66 HG LEU 66 2.691 5.631 -2.379 489 HD11 LEU 66 HD11 LEU 66 2.158 3.908 -0.801 490 HD12 LEU 66 HD12 LEU 66 3.875 3.856 -1.221 491 HD13 LEU 66 HD13 LEU 66 2.780 2.667 -1.903 492 HD21 LEU 66 HD21 LEU 66 3.552 5.144 -4.609 493 HD22 LEU 66 HD22 LEU 66 3.637 3.428 -4.206 494 HD23 LEU 66 HD23 LEU 66 4.667 4.586 -3.363 495 H LYS 67 HN LYS 67 -0.591 4.234 -6.378 496 HA LYS 67 HA LYS 67 -3.036 5.068 -4.945 497 HB2 LYS 67 HB2 LYS 67 -2.920 4.649 -7.965 498 HB3 LYS 67 HB1 LYS 67 -4.317 5.158 -7.042 499 HG2 LYS 67 HG2 LYS 67 -3.605 7.132 -7.982 500 HG3 LYS 67 HG1 LYS 67 -2.849 7.190 -6.391 501 HD2 LYS 67 HD2 LYS 67 -0.761 6.314 -7.401 502 HD3 LYS 67 HD1 LYS 67 -1.537 6.363 -8.981 503 HE2 LYS 67 HE2 LYS 67 -0.954 8.701 -7.168 504 HE3 LYS 67 HE1 LYS 67 -0.163 8.328 -8.697 505 HZ1 LYS 67 HZ1 LYS 67 -2.392 8.652 -9.778 506 HZ2 LYS 67 HZ2 LYS 67 -1.743 10.037 -9.043 507 HZ3 LYS 67 HZ3 LYS 67 -2.953 9.190 -8.254 508 H THR 68 HN THR 68 -1.553 2.639 -6.996 509 HA THR 68 HA THR 68 -3.500 0.643 -6.116 510 HB THR 68 HB THR 68 -2.606 -0.746 -7.819 511 HG1 THR 68 HG1 THR 68 -0.973 1.003 -9.125 512 HG21 THR 68 HG21 THR 68 -3.043 2.032 -8.928 513 HG22 THR 68 HG22 THR 68 -4.298 0.843 -8.575 514 HG23 THR 68 HG23 THR 68 -3.130 0.538 -9.860 515 H VAL 69 HN VAL 69 -2.411 -1.553 -5.738 516 HA VAL 69 HA VAL 69 -0.241 -1.046 -3.969 517 HB VAL 69 HB VAL 69 -0.960 -2.850 -2.885 518 HG11 VAL 69 HG11 VAL 69 -2.998 -4.028 -3.527 519 HG12 VAL 69 HG12 VAL 69 -2.882 -3.264 -5.120 520 HG13 VAL 69 HG13 VAL 69 -3.106 -2.267 -3.689 521 HG21 VAL 69 HG21 VAL 69 -0.853 -5.147 -3.769 522 HG22 VAL 69 HG22 VAL 69 0.608 -4.222 -4.123 523 HG23 VAL 69 HG23 VAL 69 -0.594 -4.494 -5.390 524 H GLY 70 HN GLY 70 -0.659 -1.522 -7.162 525 HA2 GLY 70 HA2 GLY 70 1.764 -2.983 -7.687 526 HA3 GLY 70 HA1 GLY 70 0.797 -2.138 -8.890 527 H ASP 71 HN ASP 71 0.842 0.351 -7.301 528 HA ASP 71 HA ASP 71 3.467 1.270 -8.107 529 HB2 ASP 71 HB2 ASP 71 1.167 2.709 -8.022 530 HB3 ASP 71 HB1 ASP 71 1.698 2.913 -6.387 531 H ALA 72 HN ALA 72 1.622 0.917 -5.209 532 HA ALA 72 HA ALA 72 3.250 1.872 -3.185 533 HB1 ALA 72 HB1 ALA 72 0.914 1.043 -2.860 534 HB2 ALA 72 HB2 ALA 72 2.073 0.398 -1.685 535 HB3 ALA 72 HB3 ALA 72 1.543 -0.608 -3.003 536 H THR 73 HN THR 73 2.956 -1.478 -4.196 537 HA THR 73 HA THR 73 4.742 -2.461 -2.440 538 HB THR 73 HB THR 73 3.946 -3.559 -5.131 539 HG1 THR 73 HG1 THR 73 2.153 -3.452 -4.084 540 HG21 THR 73 HG21 THR 73 5.869 -4.680 -4.189 541 HG22 THR 73 HG22 THR 73 4.417 -5.717 -4.100 542 HG23 THR 73 HG23 THR 73 5.002 -4.834 -2.663 543 H LYS 74 HN LYS 74 5.299 -2.199 -5.956 544 HA LYS 74 HA LYS 74 7.874 -2.384 -6.395 545 HB2 LYS 74 HB2 LYS 74 6.264 -2.029 -8.132 546 HB3 LYS 74 HB1 LYS 74 5.766 -0.529 -7.389 547 HG2 LYS 74 HG2 LYS 74 8.556 -0.687 -8.371 548 HG3 LYS 74 HG1 LYS 74 7.263 -0.612 -9.572 549 HD2 LYS 74 HD2 LYS 74 7.377 1.179 -7.241 550 HD3 LYS 74 HD1 LYS 74 8.239 1.653 -8.747 551 HE2 LYS 74 HE2 LYS 74 5.926 1.388 -9.829 552 HE3 LYS 74 HE1 LYS 74 5.286 1.223 -8.196 553 HZ1 LYS 74 HZ1 LYS 74 5.029 3.503 -8.744 554 HZ2 LYS 74 HZ2 LYS 74 6.530 3.557 -9.474 555 HZ3 LYS 74 HZ3 LYS 74 6.458 3.498 -7.805 556 H TYR 75 HN TYR 75 6.296 0.496 -5.138 557 HA TYR 75 HA TYR 75 8.581 2.132 -5.149 558 HB2 TYR 75 HB2 TYR 75 6.217 2.933 -4.921 559 HB3 TYR 75 HB1 TYR 75 6.209 2.245 -3.330 560 HD1 TYR 75 HD1 TYR 75 8.133 4.712 -5.299 561 HD2 TYR 75 HD2 TYR 75 6.902 3.387 -1.466 562 HE1 TYR 75 HE1 TYR 75 9.024 6.723 -4.363 563 HE2 TYR 75 HE2 TYR 75 7.803 5.424 -0.463 564 HH TYR 75 HH TYR 75 9.494 7.152 -0.990 565 H ILE 76 HN ILE 76 7.068 0.157 -2.725 566 HA ILE 76 HA ILE 76 8.637 0.784 -0.524 567 HB ILE 76 HB ILE 76 7.012 -1.637 -1.295 568 HG12 ILE 76 HG12 ILE 76 6.411 0.389 0.818 569 HG13 ILE 76 HG11 ILE 76 6.017 0.695 -0.869 570 HG21 ILE 76 HG21 ILE 76 8.691 -2.354 0.311 571 HG22 ILE 76 HG22 ILE 76 7.093 -2.318 1.060 572 HG23 ILE 76 HG23 ILE 76 8.252 -1.027 1.385 573 HD11 ILE 76 HD11 ILE 76 4.097 -0.184 0.358 574 HD12 ILE 76 HD12 ILE 76 5.040 -1.629 0.790 575 HD13 ILE 76 HD13 ILE 76 4.644 -1.300 -0.894 576 H LEU 77 HN LEU 77 8.633 -2.197 -2.481 577 HA LEU 77 HA LEU 77 10.858 -3.174 -1.344 578 HB2 LEU 77 HB2 LEU 77 10.899 -4.757 -3.263 579 HB3 LEU 77 HB1 LEU 77 9.391 -4.641 -2.321 580 HG LEU 77 HG LEU 77 8.833 -3.065 -4.212 581 HD11 LEU 77 HD11 LEU 77 10.971 -3.110 -5.390 582 HD12 LEU 77 HD12 LEU 77 9.736 -3.833 -6.425 583 HD13 LEU 77 HD13 LEU 77 10.876 -4.864 -5.552 584 HD21 LEU 77 HD21 LEU 77 8.845 -6.028 -4.450 585 HD22 LEU 77 HD22 LEU 77 7.790 -4.937 -5.391 586 HD23 LEU 77 HD23 LEU 77 7.684 -5.000 -3.618 587 H ASP 78 HN ASP 78 10.574 -1.191 -4.118 588 HA ASP 78 HA ASP 78 13.236 -1.698 -5.012 589 HB2 ASP 78 HB2 ASP 78 11.783 -1.266 -6.691 590 HB3 ASP 78 HB1 ASP 78 11.041 0.147 -6.008 591 H HIS 79 HN HIS 79 11.833 0.447 -2.795 592 HA HIS 79 HA HIS 79 14.225 2.085 -2.765 593 HB2 HIS 79 HB2 HIS 79 11.551 2.373 -1.479 594 HB3 HIS 79 HB1 HIS 79 12.934 3.212 -0.790 595 HD1 HIS 79 HD1 HIS 79 12.331 5.534 -1.412 596 HD2 HIS 79 HD2 HIS 79 12.240 2.963 -4.666 597 HE1 HIS 79 HE1 HIS 79 12.129 7.016 -3.445 598 HE2 HIS 79 HE2 HIS 79 12.594 5.414 -5.314 599 H GLN 80 HN GLN 80 12.909 -0.600 -0.967 600 HA GLN 80 HA GLN 80 14.856 0.052 1.067 601 HB2 GLN 80 HB2 GLN 80 13.857 -2.188 2.096 602 HB3 GLN 80 HB1 GLN 80 13.300 -0.577 2.532 603 HG2 GLN 80 HG2 GLN 80 11.328 -1.623 2.115 604 HG3 GLN 80 HG1 GLN 80 11.676 -1.058 0.499 605 HE21 GLN 80 HE21 GLN 80 10.039 -3.088 1.380 606 HE22 GLN 80 HE22 GLN 80 10.538 -4.548 0.577 607 H ALA 81 HN ALA 81 14.244 -2.663 -0.704 608 HA ALA 81 HA ALA 81 17.007 -3.289 -0.178 609 HB1 ALA 81 HB1 ALA 81 14.850 -5.306 -0.737 610 HB2 ALA 81 HB2 ALA 81 15.532 -4.900 0.833 611 HB3 ALA 81 HB3 ALA 81 16.543 -5.690 -0.388 612 H1 SYO 101 H1A SYO 101 -3.963 7.318 0.622 613 H1A SYO 101 H1B SYO 101 -2.330 6.818 1.095 614 H2 SYO 101 H2A SYO 101 -1.574 7.139 -1.088 615 H2A SYO 101 H2B SYO 101 -3.101 7.837 -1.656 616 H4 SYO 101 H4A SYO 101 -1.126 5.223 -1.364 617 H4A SYO 101 H4B SYO 101 -2.159 4.465 -2.560 618 H5 SYO 101 H5A SYO 101 -2.864 2.829 -1.053 619 H5A SYO 101 H5B SYO 101 -2.567 3.873 0.347 620 H6 SYO 101 H6A SYO 101 -0.133 3.694 -0.126 621 H6A SYO 101 H6B SYO 101 -0.496 2.531 -1.399 622 H7 SYO 101 H7A SYO 101 -1.392 0.975 0.178 623 H7A SYO 101 H7B SYO 101 -1.223 2.159 1.496 624 H8 SYO 101 H8C SYO 101 0.997 0.999 -0.185 625 H8A SYO 101 H8A SYO 101 0.616 0.545 1.476 626 H8B SYO 101 H8B SYO 101 1.193 2.173 1.119 627 H28 SYO 101 H28A SYO 101 -7.318 12.670 -1.722 628 H28A SYO 101 H28B SYO 101 -7.371 10.927 -1.869 629 H30 SYO 101 H30A SYO 101 -8.882 13.949 -3.302 630 H30A SYO 101 H30B SYO 101 -10.182 12.870 -2.778 631 H30B SYO 101 H30C SYO 101 -9.858 13.073 -4.508 632 H31 SYO 101 H31A SYO 101 -6.662 11.173 -4.260 633 H31A SYO 101 H31B SYO 101 -6.761 12.936 -4.181 634 H31B SYO 101 H31C SYO 101 -7.673 12.040 -5.414 635 H32 SYO 101 H32A SYO 101 -9.835 10.229 -2.891 636 HO33 SYO 101 H33A SYO 101 -9.758 9.949 -5.484 637 HN36 SYO 101 H36A SYO 101 -7.559 9.657 -2.278 638 H37 SYO 101 H37A SYO 101 -6.250 7.746 -2.077 639 H37A SYO 101 H37B SYO 101 -6.962 7.152 -3.564 640 H38 SYO 101 H38A SYO 101 -4.594 7.508 -3.804 641 H38A SYO 101 H38B SYO 101 -5.483 8.581 -4.911 642 HN41 SYO 101 H41A SYO 101 -4.804 8.755 -1.518 643 H42 SYO 101 H42A SYO 101 -2.669 10.581 -1.544 644 H42A SYO 101 H42B SYO 101 -4.200 11.388 -1.390 645 H43 SYO 101 H43A SYO 101 -4.768 9.692 0.398 646 H43A SYO 101 H43B SYO 101 -3.810 11.120 0.749 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 11.582 -5.522 5.285 2 H2 ALA 1 HT2 ALA 1 12.323 -7.000 5.024 3 H3 ALA 1 HT3 ALA 1 10.939 -6.599 4.153 4 HA ALA 1 HA ALA 1 12.136 -4.908 2.964 5 HB1 ALA 1 HB1 ALA 1 13.634 -4.263 4.793 6 HB2 ALA 1 HB2 ALA 1 14.548 -4.655 3.335 7 HB3 ALA 1 HB3 ALA 1 14.468 -5.812 4.661 8 H ALA 2 HN ALA 2 11.219 -7.567 2.696 9 HA ALA 2 HA ALA 2 13.461 -9.042 1.568 10 HB1 ALA 2 HB1 ALA 2 11.935 -10.941 1.476 11 HB2 ALA 2 HB2 ALA 2 10.601 -9.910 1.996 12 HB3 ALA 2 HB3 ALA 2 11.944 -10.232 3.091 13 H THR 3 HN THR 3 10.075 -8.649 0.496 14 HA THR 3 HA THR 3 10.622 -7.505 -1.990 15 HB THR 3 HB THR 3 11.833 -9.651 -2.352 16 HG1 THR 3 HG1 THR 3 11.184 -9.701 -4.369 17 HG21 THR 3 HG21 THR 3 10.542 -11.753 -2.629 18 HG22 THR 3 HG22 THR 3 9.099 -10.919 -2.049 19 HG23 THR 3 HG23 THR 3 10.475 -11.144 -0.973 20 H GLN 4 HN GLN 4 8.775 -8.489 -3.500 21 HA GLN 4 HA GLN 4 6.422 -7.286 -2.618 22 HB2 GLN 4 HB2 GLN 4 6.721 -7.447 -4.966 23 HB3 GLN 4 HB1 GLN 4 6.865 -9.193 -4.909 24 HG2 GLN 4 HG2 GLN 4 4.301 -7.886 -4.092 25 HG3 GLN 4 HG1 GLN 4 4.679 -8.061 -5.798 26 HE21 GLN 4 HE21 GLN 4 2.554 -9.343 -4.075 27 HE22 GLN 4 HE22 GLN 4 2.797 -11.028 -4.279 28 H GLU 5 HN GLU 5 7.157 -10.732 -2.594 29 HA GLU 5 HA GLU 5 4.781 -11.763 -1.674 30 HB2 GLU 5 HB2 GLU 5 7.610 -12.553 -1.079 31 HB3 GLU 5 HB1 GLU 5 6.256 -13.436 -0.385 32 HG2 GLU 5 HG2 GLU 5 6.750 -13.031 -3.327 33 HG3 GLU 5 HG1 GLU 5 7.123 -14.491 -2.406 34 H GLU 6 HN GLU 6 7.112 -9.965 0.137 35 HA GLU 6 HA GLU 6 5.879 -10.431 2.713 36 HB2 GLU 6 HB2 GLU 6 8.320 -10.060 2.547 37 HB3 GLU 6 HB1 GLU 6 8.023 -8.541 1.752 38 HG2 GLU 6 HG2 GLU 6 7.027 -7.605 3.743 39 HG3 GLU 6 HG1 GLU 6 7.237 -9.141 4.585 40 H ILE 7 HN ILE 7 5.804 -8.049 0.161 41 HA ILE 7 HA ILE 7 4.793 -5.917 1.780 42 HB ILE 7 HB ILE 7 5.055 -6.220 -1.204 43 HG12 ILE 7 HG12 ILE 7 6.807 -4.755 0.746 44 HG13 ILE 7 HG11 ILE 7 7.114 -6.409 0.223 45 HG21 ILE 7 HG21 ILE 7 4.897 -3.770 -1.217 46 HG22 ILE 7 HG22 ILE 7 4.613 -3.781 0.525 47 HG23 ILE 7 HG23 ILE 7 3.427 -4.499 -0.566 48 HD11 ILE 7 HD11 ILE 7 7.320 -5.642 -2.070 49 HD12 ILE 7 HD12 ILE 7 8.438 -4.777 -1.003 50 HD13 ILE 7 HD13 ILE 7 6.960 -3.993 -1.554 51 H VAL 8 HN VAL 8 3.473 -7.433 -1.163 52 HA VAL 8 HA VAL 8 0.899 -6.402 -0.839 53 HB VAL 8 HB VAL 8 1.697 -8.914 -2.327 54 HG11 VAL 8 HG11 VAL 8 -0.322 -8.560 -3.670 55 HG12 VAL 8 HG12 VAL 8 -0.770 -7.200 -2.639 56 HG13 VAL 8 HG13 VAL 8 -0.720 -8.833 -1.972 57 HG21 VAL 8 HG21 VAL 8 2.930 -6.989 -3.079 58 HG22 VAL 8 HG22 VAL 8 1.449 -6.064 -3.226 59 HG23 VAL 8 HG23 VAL 8 1.733 -7.437 -4.298 60 H ALA 9 HN ALA 9 2.116 -9.490 0.252 61 HA ALA 9 HA ALA 9 -0.281 -10.481 1.167 62 HB1 ALA 9 HB1 ALA 9 1.055 -11.903 2.679 63 HB2 ALA 9 HB2 ALA 9 2.472 -10.904 2.327 64 HB3 ALA 9 HB3 ALA 9 1.715 -11.845 1.045 65 H GLY 10 HN GLY 10 2.055 -8.263 2.694 66 HA2 GLY 10 HA2 GLY 10 0.726 -8.325 5.178 67 HA3 GLY 10 HA1 GLY 10 2.127 -7.360 4.759 68 H LEU 11 HN LEU 11 1.015 -6.186 2.463 69 HA LEU 11 HA LEU 11 -0.176 -3.946 3.642 70 HB2 LEU 11 HB2 LEU 11 1.125 -4.525 1.296 71 HB3 LEU 11 HB1 LEU 11 -0.523 -4.359 0.759 72 HG LEU 11 HG LEU 11 1.096 -2.215 2.185 73 HD11 LEU 11 HD11 LEU 11 0.979 -1.050 0.069 74 HD12 LEU 11 HD12 LEU 11 0.164 -2.439 -0.653 75 HD13 LEU 11 HD13 LEU 11 1.822 -2.591 -0.073 76 HD21 LEU 11 HD21 LEU 11 -0.795 -0.750 1.699 77 HD22 LEU 11 HD22 LEU 11 -1.251 -2.066 2.783 78 HD23 LEU 11 HD23 LEU 11 -1.699 -2.135 1.081 79 H ALA 12 HN ALA 12 -1.346 -6.775 1.881 80 HA ALA 12 HA ALA 12 -4.004 -6.058 1.573 81 HB1 ALA 12 HB1 ALA 12 -4.498 -8.440 1.585 82 HB2 ALA 12 HB2 ALA 12 -2.889 -8.783 2.210 83 HB3 ALA 12 HB3 ALA 12 -3.081 -8.094 0.588 84 H GLU 13 HN GLU 13 -2.400 -7.732 4.223 85 HA GLU 13 HA GLU 13 -4.573 -8.031 5.937 86 HB2 GLU 13 HB2 GLU 13 -1.673 -7.643 6.633 87 HB3 GLU 13 HB1 GLU 13 -2.909 -8.203 7.752 88 HG2 GLU 13 HG2 GLU 13 -3.289 -10.149 6.450 89 HG3 GLU 13 HG1 GLU 13 -2.187 -9.583 5.198 90 H ILE 14 HN ILE 14 -2.284 -5.444 5.698 91 HA ILE 14 HA ILE 14 -3.209 -3.765 7.732 92 HB ILE 14 HB ILE 14 -1.986 -3.140 5.039 93 HG12 ILE 14 HG12 ILE 14 -0.706 -3.051 7.757 94 HG13 ILE 14 HG11 ILE 14 -0.787 -4.533 6.818 95 HG21 ILE 14 HG21 ILE 14 -1.424 -0.935 5.953 96 HG22 ILE 14 HG22 ILE 14 -2.349 -1.304 7.411 97 HG23 ILE 14 HG23 ILE 14 -3.170 -1.164 5.857 98 HD11 ILE 14 HD11 ILE 14 0.432 -3.484 5.046 99 HD12 ILE 14 HD12 ILE 14 1.331 -3.437 6.566 100 HD13 ILE 14 HD13 ILE 14 0.522 -1.977 5.964 101 H VAL 15 HN VAL 15 -4.291 -4.076 4.374 102 HA VAL 15 HA VAL 15 -6.029 -1.857 4.392 103 HB VAL 15 HB VAL 15 -6.075 -4.292 2.571 104 HG11 VAL 15 HG11 VAL 15 -7.262 -2.871 1.008 105 HG12 VAL 15 HG12 VAL 15 -7.309 -1.583 2.217 106 HG13 VAL 15 HG13 VAL 15 -8.168 -3.101 2.500 107 HG21 VAL 15 HG21 VAL 15 -4.878 -1.591 2.195 108 HG22 VAL 15 HG22 VAL 15 -4.934 -2.918 1.005 109 HG23 VAL 15 HG23 VAL 15 -4.006 -3.103 2.507 110 H ASN 16 HN ASN 16 -6.252 -5.075 5.458 111 HA ASN 16 HA ASN 16 -9.129 -5.341 5.382 112 HB2 ASN 16 HB2 ASN 16 -7.380 -6.983 7.239 113 HB3 ASN 16 HB1 ASN 16 -8.903 -7.384 6.480 114 HD21 ASN 16 HD21 ASN 16 -8.164 -6.618 3.913 115 HD22 ASN 16 HD22 ASN 16 -6.899 -7.714 3.393 116 H GLU 17 HN GLU 17 -6.694 -4.883 7.879 117 HA GLU 17 HA GLU 17 -8.499 -4.633 10.022 118 HB2 GLU 17 HB2 GLU 17 -5.671 -3.598 9.899 119 HB3 GLU 17 HB1 GLU 17 -6.582 -4.011 11.339 120 HG2 GLU 17 HG2 GLU 17 -5.578 -5.916 9.229 121 HG3 GLU 17 HG1 GLU 17 -4.959 -5.724 10.864 122 H ILE 18 HN ILE 18 -6.855 -2.241 7.997 123 HA ILE 18 HA ILE 18 -7.806 0.043 9.464 124 HB ILE 18 HB ILE 18 -6.815 -0.150 6.601 125 HG12 ILE 18 HG12 ILE 18 -5.172 -0.873 8.367 126 HG13 ILE 18 HG11 ILE 18 -4.623 0.456 7.364 127 HG21 ILE 18 HG21 ILE 18 -7.126 2.263 8.375 128 HG22 ILE 18 HG22 ILE 18 -8.089 1.872 6.952 129 HG23 ILE 18 HG23 ILE 18 -6.376 2.259 6.780 130 HD11 ILE 18 HD11 ILE 18 -4.005 0.760 9.665 131 HD12 ILE 18 HD12 ILE 18 -5.690 0.610 10.185 132 HD13 ILE 18 HD13 ILE 18 -5.175 1.987 9.197 133 H ALA 19 HN ALA 19 -8.697 -1.454 6.341 134 HA ALA 19 HA ALA 19 -11.047 0.271 6.218 135 HB1 ALA 19 HB1 ALA 19 -9.508 0.377 4.312 136 HB2 ALA 19 HB2 ALA 19 -11.090 -0.239 3.835 137 HB3 ALA 19 HB3 ALA 19 -9.735 -1.351 4.037 138 H GLY 20 HN GLY 20 -10.629 -2.744 4.592 139 HA2 GLY 20 HA2 GLY 20 -11.916 -4.585 6.164 140 HA3 GLY 20 HA1 GLY 20 -13.229 -3.668 5.446 141 H ILE 21 HN ILE 21 -10.172 -4.790 4.213 142 HA ILE 21 HA ILE 21 -11.540 -5.921 1.906 143 HB ILE 21 HB ILE 21 -8.839 -4.870 2.446 144 HG12 ILE 21 HG12 ILE 21 -9.009 -4.083 0.121 145 HG13 ILE 21 HG11 ILE 21 -10.526 -4.960 -0.050 146 HG21 ILE 21 HG21 ILE 21 -8.096 -7.089 1.970 147 HG22 ILE 21 HG22 ILE 21 -7.697 -6.038 0.623 148 HG23 ILE 21 HG23 ILE 21 -9.067 -7.149 0.501 149 HD11 ILE 21 HD11 ILE 21 -10.885 -2.579 0.316 150 HD12 ILE 21 HD12 ILE 21 -9.999 -2.672 1.839 151 HD13 ILE 21 HD13 ILE 21 -11.530 -3.529 1.658 152 HA PRO 22 HA PRO 22 -11.048 -10.076 3.428 153 HB2 PRO 22 HB2 PRO 22 -11.016 -11.024 0.697 154 HB3 PRO 22 HB1 PRO 22 -12.348 -11.147 1.885 155 HG2 PRO 22 HG2 PRO 22 -12.528 -9.579 -0.329 156 HG3 PRO 22 HG1 PRO 22 -13.214 -9.085 1.232 157 HD2 PRO 22 HD2 PRO 22 -10.610 -8.266 0.033 158 HD3 PRO 22 HD1 PRO 22 -11.901 -7.272 0.742 159 H VAL 23 HN VAL 23 -8.493 -8.758 2.731 160 HA VAL 23 HA VAL 23 -6.272 -9.085 2.291 161 HB VAL 23 HB VAL 23 -6.677 -10.433 4.403 162 HG11 VAL 23 HG11 VAL 23 -6.351 -12.820 2.626 163 HG12 VAL 23 HG12 VAL 23 -7.773 -12.366 3.567 164 HG13 VAL 23 HG13 VAL 23 -6.285 -12.838 4.390 165 HG21 VAL 23 HG21 VAL 23 -4.398 -11.376 4.516 166 HG22 VAL 23 HG22 VAL 23 -4.440 -9.753 3.829 167 HG23 VAL 23 HG23 VAL 23 -4.248 -11.152 2.774 168 H GLU 24 HN GLU 24 -8.202 -10.518 0.198 169 HA GLU 24 HA GLU 24 -5.899 -11.491 -1.364 170 HB2 GLU 24 HB2 GLU 24 -7.511 -13.085 -2.418 171 HB3 GLU 24 HB1 GLU 24 -7.202 -13.340 -0.702 172 HG2 GLU 24 HG2 GLU 24 -9.308 -12.168 -0.187 173 HG3 GLU 24 HG1 GLU 24 -9.631 -12.064 -1.919 174 H ASP 25 HN ASP 25 -7.953 -9.118 -1.096 175 HA ASP 25 HA ASP 25 -8.837 -8.765 -3.864 176 HB2 ASP 25 HB2 ASP 25 -10.111 -8.189 -1.693 177 HB3 ASP 25 HB1 ASP 25 -9.040 -6.829 -1.594 178 H VAL 26 HN VAL 26 -6.414 -7.878 -1.727 179 HA VAL 26 HA VAL 26 -5.585 -5.423 -3.033 180 HB VAL 26 HB VAL 26 -4.189 -6.997 -0.838 181 HG11 VAL 26 HG11 VAL 26 -2.729 -5.426 -1.988 182 HG12 VAL 26 HG12 VAL 26 -3.111 -4.895 -0.330 183 HG13 VAL 26 HG13 VAL 26 -3.933 -4.158 -1.720 184 HG21 VAL 26 HG21 VAL 26 -6.414 -6.336 -0.158 185 HG22 VAL 26 HG22 VAL 26 -6.075 -4.674 -0.637 186 HG23 VAL 26 HG23 VAL 26 -5.186 -5.405 0.700 187 H LYS 27 HN LYS 27 -4.980 -5.971 -5.080 188 HA LYS 27 HA LYS 27 -2.703 -7.786 -5.390 189 HB2 LYS 27 HB2 LYS 27 -5.086 -7.257 -7.148 190 HB3 LYS 27 HB1 LYS 27 -3.617 -8.002 -7.751 191 HG2 LYS 27 HG2 LYS 27 -5.234 -9.090 -5.487 192 HG3 LYS 27 HG1 LYS 27 -5.476 -9.556 -7.183 193 HD2 LYS 27 HD2 LYS 27 -3.073 -10.235 -7.243 194 HD3 LYS 27 HD1 LYS 27 -2.990 -9.925 -5.509 195 HE2 LYS 27 HE2 LYS 27 -4.886 -11.878 -6.803 196 HE3 LYS 27 HE1 LYS 27 -3.327 -12.320 -6.121 197 HZ1 LYS 27 HZ1 LYS 27 -5.102 -12.765 -4.608 198 HZ2 LYS 27 HZ2 LYS 27 -5.605 -11.153 -4.560 199 HZ3 LYS 27 HZ3 LYS 27 -4.086 -11.604 -3.964 200 H LEU 28 HN LEU 28 -1.457 -7.138 -7.393 201 HA LEU 28 HA LEU 28 -0.774 -4.420 -7.197 202 HB2 LEU 28 HB2 LEU 28 -0.075 -6.437 -9.344 203 HB3 LEU 28 HB1 LEU 28 0.764 -4.934 -9.030 204 HG LEU 28 HG LEU 28 0.687 -7.299 -7.153 205 HD11 LEU 28 HD11 LEU 28 1.963 -7.794 -9.165 206 HD12 LEU 28 HD12 LEU 28 3.032 -7.606 -7.773 207 HD13 LEU 28 HD13 LEU 28 2.890 -6.308 -8.958 208 HD21 LEU 28 HD21 LEU 28 0.943 -5.155 -6.008 209 HD22 LEU 28 HD22 LEU 28 2.314 -4.766 -7.051 210 HD23 LEU 28 HD23 LEU 28 2.417 -6.118 -5.925 211 H ASP 29 HN ASP 29 -1.229 -2.807 -8.685 212 HA ASP 29 HA ASP 29 -2.259 -1.642 -10.349 213 HB2 ASP 29 HB2 ASP 29 -2.078 -3.528 -11.949 214 HB3 ASP 29 HB1 ASP 29 -3.468 -4.283 -11.184 215 H LYS 30 HN LYS 30 -3.492 -2.961 -7.726 216 HA LYS 30 HA LYS 30 -6.179 -1.951 -8.202 217 HB2 LYS 30 HB2 LYS 30 -5.144 -3.327 -5.735 218 HB3 LYS 30 HB1 LYS 30 -6.732 -2.611 -6.112 219 HG2 LYS 30 HG2 LYS 30 -5.602 -4.863 -7.752 220 HG3 LYS 30 HG1 LYS 30 -6.552 -5.119 -6.276 221 HD2 LYS 30 HD2 LYS 30 -8.382 -3.826 -7.212 222 HD3 LYS 30 HD1 LYS 30 -7.456 -3.585 -8.695 223 HE2 LYS 30 HE2 LYS 30 -8.061 -6.297 -7.620 224 HE3 LYS 30 HE1 LYS 30 -9.211 -5.427 -8.643 225 HZ1 LYS 30 HZ1 LYS 30 -7.583 -5.410 -10.415 226 HZ2 LYS 30 HZ2 LYS 30 -7.806 -6.986 -9.855 227 HZ3 LYS 30 HZ3 LYS 30 -6.419 -6.184 -9.451 228 H SER 31 HN SER 31 -6.656 -0.270 -7.669 229 HA SER 31 HA SER 31 -4.823 1.710 -6.611 230 HB2 SER 31 HB2 SER 31 -6.209 1.929 -8.702 231 HB3 SER 31 HB1 SER 31 -7.604 2.072 -7.678 232 HG SER 31 HG SER 31 -6.406 3.875 -6.666 233 H PHE 32 HN PHE 32 -5.885 -0.113 -4.691 234 HA PHE 32 HA PHE 32 -6.888 -0.355 -2.686 235 HB2 PHE 32 HB2 PHE 32 -5.533 2.300 -2.460 236 HB3 PHE 32 HB1 PHE 32 -6.216 1.457 -1.088 237 HD1 PHE 32 HD2 PHE 32 -5.209 -0.718 -0.380 238 HD2 PHE 32 HD1 PHE 32 -3.438 1.719 -3.390 239 HE1 PHE 32 HE2 PHE 32 -3.109 -1.941 -0.152 240 HE2 PHE 32 HE1 PHE 32 -1.369 0.510 -3.158 241 HZ PHE 32 HZ PHE 32 -1.142 -1.234 -1.369 242 H THR 33 HN THR 33 -7.370 3.083 -2.474 243 HA THR 33 HA THR 33 -9.910 2.820 -1.372 244 HB THR 33 HB THR 33 -8.433 4.750 -0.917 245 HG1 THR 33 HG1 THR 33 -10.867 4.836 -0.939 246 HG21 THR 33 HG21 THR 33 -8.219 6.578 -2.549 247 HG22 THR 33 HG22 THR 33 -9.070 5.601 -3.743 248 HG23 THR 33 HG23 THR 33 -7.494 5.085 -3.142 249 H ASP 34 HN ASP 34 -8.870 3.062 -4.659 250 HA ASP 34 HA ASP 34 -11.517 3.796 -5.609 251 HB2 ASP 34 HB2 ASP 34 -9.491 4.694 -6.734 252 HB3 ASP 34 HB1 ASP 34 -9.063 3.060 -7.210 253 H ASP 35 HN ASP 35 -9.297 1.016 -6.085 254 HA ASP 35 HA ASP 35 -11.408 -0.456 -7.409 255 HB2 ASP 35 HB2 ASP 35 -8.626 -1.294 -6.647 256 HB3 ASP 35 HB1 ASP 35 -9.783 -2.354 -7.427 257 H LEU 36 HN LEU 36 -9.917 -0.543 -4.244 258 HA LEU 36 HA LEU 36 -11.035 -3.142 -3.729 259 HB2 LEU 36 HB2 LEU 36 -9.633 -1.332 -1.784 260 HB3 LEU 36 HB1 LEU 36 -9.899 -3.058 -1.628 261 HG LEU 36 HG LEU 36 -8.043 -1.611 -3.472 262 HD11 LEU 36 HD11 LEU 36 -6.306 -2.854 -2.287 263 HD12 LEU 36 HD12 LEU 36 -7.537 -3.539 -1.227 264 HD13 LEU 36 HD13 LEU 36 -7.233 -1.799 -1.224 265 HD21 LEU 36 HD21 LEU 36 -9.001 -3.462 -4.675 266 HD22 LEU 36 HD22 LEU 36 -8.593 -4.568 -3.353 267 HD23 LEU 36 HD23 LEU 36 -7.311 -3.775 -4.286 268 H ASP 37 HN ASP 37 -11.183 -0.218 -1.740 269 HA ASP 37 HA ASP 37 -13.924 0.149 -1.419 270 HB2 ASP 37 HB2 ASP 37 -14.095 -2.201 -0.657 271 HB3 ASP 37 HB1 ASP 37 -12.898 -1.888 0.593 272 H VAL 38 HN VAL 38 -10.762 0.186 -0.183 273 HA VAL 38 HA VAL 38 -10.817 1.221 2.333 274 HB VAL 38 HB VAL 38 -8.898 2.233 0.254 275 HG11 VAL 38 HG11 VAL 38 -8.671 3.245 2.431 276 HG12 VAL 38 HG12 VAL 38 -7.290 2.200 2.104 277 HG13 VAL 38 HG13 VAL 38 -8.569 1.656 3.191 278 HG21 VAL 38 HG21 VAL 38 -8.804 -0.425 1.664 279 HG22 VAL 38 HG22 VAL 38 -7.521 0.252 0.664 280 HG23 VAL 38 HG23 VAL 38 -9.076 -0.166 -0.059 281 H ASP 39 HN ASP 39 -11.113 3.152 3.249 282 HA ASP 39 HA ASP 39 -12.300 5.316 1.727 283 HB2 ASP 39 HB2 ASP 39 -11.381 5.222 4.594 284 HB3 ASP 39 HB1 ASP 39 -12.328 6.523 3.886 285 H SER 40 HN SER 40 -11.060 6.785 0.719 286 HA SER 40 HA SER 40 -8.441 7.231 0.629 287 HB2 SER 40 HB2 SER 40 -9.801 8.372 -0.755 288 HB3 SER 40 HB1 SER 40 -10.704 9.155 0.566 289 H LEU 41 HN LEU 41 -10.444 8.412 3.364 290 HA LEU 41 HA LEU 41 -8.211 9.857 4.324 291 HB2 LEU 41 HB2 LEU 41 -9.539 10.210 6.455 292 HB3 LEU 41 HB1 LEU 41 -10.269 10.797 4.986 293 HG LEU 41 HG LEU 41 -11.695 8.660 5.038 294 HD11 LEU 41 HD11 LEU 41 -10.416 7.395 6.659 295 HD12 LEU 41 HD12 LEU 41 -12.068 7.658 7.216 296 HD13 LEU 41 HD13 LEU 41 -10.745 8.613 7.891 297 HD21 LEU 41 HD21 LEU 41 -12.030 10.729 7.195 298 HD22 LEU 41 HD22 LEU 41 -13.290 9.650 6.592 299 HD23 LEU 41 HD23 LEU 41 -12.578 10.859 5.522 300 H SER 42 HN SER 42 -9.356 6.619 4.909 301 HA SER 42 HA SER 42 -7.494 6.077 7.046 302 HB2 SER 42 HB2 SER 42 -9.170 4.205 5.382 303 HB3 SER 42 HB1 SER 42 -8.419 3.851 6.934 304 HG SER 42 HG SER 42 -9.658 5.547 7.833 305 H MET 43 HN MET 43 -7.468 6.280 3.772 306 HA MET 43 HA MET 43 -5.982 4.177 2.834 307 HB2 MET 43 HB2 MET 43 -7.409 5.803 1.619 308 HB3 MET 43 HB1 MET 43 -6.128 6.979 1.790 309 HG2 MET 43 HG2 MET 43 -6.123 6.115 -0.407 310 HG3 MET 43 HG1 MET 43 -4.692 5.523 0.429 311 HE1 MET 43 HE1 MET 43 -5.177 1.787 0.681 312 HE2 MET 43 HE2 MET 43 -5.244 3.002 1.949 313 HE3 MET 43 HE3 MET 43 -4.049 3.150 0.654 314 H VAL 44 HN VAL 44 -5.076 7.336 4.075 315 HA VAL 44 HA VAL 44 -2.327 7.170 3.454 316 HB VAL 44 HB VAL 44 -3.658 8.827 5.628 317 HG11 VAL 44 HG11 VAL 44 -1.241 8.701 5.939 318 HG12 VAL 44 HG12 VAL 44 -1.725 10.316 5.429 319 HG13 VAL 44 HG13 VAL 44 -0.989 9.208 4.270 320 HG21 VAL 44 HG21 VAL 44 -4.634 9.230 3.443 321 HG22 VAL 44 HG22 VAL 44 -3.030 9.536 2.763 322 HG23 VAL 44 HG23 VAL 44 -3.699 10.629 3.977 323 H GLU 45 HN GLU 45 -4.243 5.899 6.049 324 HA GLU 45 HA GLU 45 -2.181 5.412 7.969 325 HB2 GLU 45 HB2 GLU 45 -4.710 3.826 7.559 326 HB3 GLU 45 HB1 GLU 45 -3.751 3.923 9.019 327 HG2 GLU 45 HG2 GLU 45 -5.356 6.149 7.800 328 HG3 GLU 45 HG1 GLU 45 -5.772 5.104 9.168 329 H VAL 46 HN VAL 46 -3.793 3.585 5.465 330 HA VAL 46 HA VAL 46 -2.691 1.083 5.802 331 HB VAL 46 HB VAL 46 -3.533 2.377 3.189 332 HG11 VAL 46 HG11 VAL 46 -4.048 0.216 2.377 333 HG12 VAL 46 HG12 VAL 46 -3.672 -0.532 3.914 334 HG13 VAL 46 HG13 VAL 46 -2.373 0.203 2.940 335 HG21 VAL 46 HG21 VAL 46 -5.760 1.426 3.632 336 HG22 VAL 46 HG22 VAL 46 -5.294 2.664 4.787 337 HG23 VAL 46 HG23 VAL 46 -5.217 0.958 5.246 338 H VAL 47 HN VAL 47 -1.375 3.911 4.486 339 HA VAL 47 HA VAL 47 0.717 2.702 2.786 340 HB VAL 47 HB VAL 47 0.563 5.572 3.713 341 HG11 VAL 47 HG11 VAL 47 1.879 6.008 1.692 342 HG12 VAL 47 HG12 VAL 47 1.893 4.279 1.344 343 HG13 VAL 47 HG13 VAL 47 2.690 4.891 2.791 344 HG21 VAL 47 HG21 VAL 47 -1.534 4.990 2.620 345 HG22 VAL 47 HG22 VAL 47 -0.631 4.383 1.224 346 HG23 VAL 47 HG23 VAL 47 -0.558 6.096 1.655 347 H VAL 48 HN VAL 48 0.590 4.733 5.670 348 HA VAL 48 HA VAL 48 3.324 4.459 6.245 349 HB VAL 48 HB VAL 48 1.034 5.165 8.117 350 HG11 VAL 48 HG11 VAL 48 4.006 5.633 8.437 351 HG12 VAL 48 HG12 VAL 48 3.031 4.487 9.363 352 HG13 VAL 48 HG13 VAL 48 2.748 6.220 9.527 353 HG21 VAL 48 HG21 VAL 48 2.902 6.929 6.531 354 HG22 VAL 48 HG22 VAL 48 1.708 7.495 7.699 355 HG23 VAL 48 HG23 VAL 48 1.185 6.680 6.224 356 H ALA 49 HN ALA 49 0.476 2.520 7.033 357 HA ALA 49 HA ALA 49 1.773 1.067 8.974 358 HB1 ALA 49 HB1 ALA 49 -0.652 0.312 7.358 359 HB2 ALA 49 HB2 ALA 49 -0.642 1.167 8.898 360 HB3 ALA 49 HB3 ALA 49 -0.110 -0.512 8.817 361 H ALA 50 HN ALA 50 1.455 0.855 5.532 362 HA ALA 50 HA ALA 50 2.444 -1.722 5.099 363 HB1 ALA 50 HB1 ALA 50 2.925 -0.891 2.764 364 HB2 ALA 50 HB2 ALA 50 2.510 0.743 3.283 365 HB3 ALA 50 HB3 ALA 50 1.305 -0.507 3.294 366 H GLU 51 HN GLU 51 4.126 1.418 5.041 367 HA GLU 51 HA GLU 51 6.601 0.111 4.676 368 HB2 GLU 51 HB2 GLU 51 7.649 2.340 5.032 369 HB3 GLU 51 HB1 GLU 51 6.497 2.223 3.733 370 HG2 GLU 51 HG2 GLU 51 5.735 3.999 4.466 371 HG3 GLU 51 HG1 GLU 51 4.892 3.081 5.717 372 H GLU 52 HN GLU 52 4.994 1.145 7.552 373 HA GLU 52 HA GLU 52 7.108 0.834 9.362 374 HB2 GLU 52 HB2 GLU 52 4.141 0.411 9.642 375 HB3 GLU 52 HB1 GLU 52 5.230 0.137 10.992 376 HG2 GLU 52 HG2 GLU 52 5.039 2.727 9.494 377 HG3 GLU 52 HG1 GLU 52 4.088 2.363 10.937 378 H ARG 53 HN ARG 53 5.064 -1.513 7.783 379 HA ARG 53 HA ARG 53 6.164 -3.678 9.345 380 HB2 ARG 53 HB2 ARG 53 3.810 -3.815 8.766 381 HB3 ARG 53 HB1 ARG 53 4.187 -3.704 7.053 382 HG2 ARG 53 HG2 ARG 53 5.369 -5.855 7.192 383 HG3 ARG 53 HG1 ARG 53 4.951 -5.960 8.900 384 HD2 ARG 53 HD2 ARG 53 2.558 -6.070 8.314 385 HD3 ARG 53 HD1 ARG 53 2.967 -5.826 6.626 386 HE ARG 53 HE ARG 53 4.409 -7.976 7.234 387 HH11 ARG 53 HH11 ARG 53 0.990 -7.373 8.061 388 HH12 ARG 53 HH12 ARG 53 0.522 -8.927 7.479 389 HH21 ARG 53 HH21 ARG 53 3.599 -10.107 6.479 390 HH22 ARG 53 HH22 ARG 53 1.918 -10.417 6.664 391 H PHE 54 HN PHE 54 6.386 -2.527 5.986 392 HA PHE 54 HA PHE 54 7.914 -4.888 5.250 393 HB2 PHE 54 HB2 PHE 54 7.381 -2.551 3.433 394 HB3 PHE 54 HB1 PHE 54 7.803 -4.222 3.024 395 HD1 PHE 54 HD2 PHE 54 6.133 -5.732 4.759 396 HD2 PHE 54 HD1 PHE 54 5.324 -2.239 2.527 397 HE1 PHE 54 HE2 PHE 54 3.817 -6.400 4.572 398 HE2 PHE 54 HE1 PHE 54 3.014 -2.876 2.323 399 HZ PHE 54 HZ PHE 54 2.172 -4.816 3.610 400 H ASP 55 HN ASP 55 8.734 -2.109 6.587 401 HA ASP 55 HA ASP 55 10.804 -1.346 7.317 402 HB2 ASP 55 HB2 ASP 55 11.696 -3.704 6.962 403 HB3 ASP 55 HB1 ASP 55 12.150 -3.206 5.336 404 H VAL 56 HN VAL 56 9.473 -0.841 4.367 405 HA VAL 56 HA VAL 56 11.617 0.753 3.296 406 HB VAL 56 HB VAL 56 9.926 -0.478 1.882 407 HG11 VAL 56 HG11 VAL 56 8.014 1.567 2.901 408 HG12 VAL 56 HG12 VAL 56 7.981 -0.172 3.187 409 HG13 VAL 56 HG13 VAL 56 7.717 0.461 1.560 410 HG21 VAL 56 HG21 VAL 56 11.174 1.348 0.914 411 HG22 VAL 56 HG22 VAL 56 9.903 2.490 1.411 412 HG23 VAL 56 HG23 VAL 56 9.554 1.190 0.251 413 H LYS 57 HN LYS 57 10.866 3.207 2.820 414 HA LYS 57 HA LYS 57 9.171 4.104 5.006 415 HB2 LYS 57 HB2 LYS 57 11.742 4.477 5.337 416 HB3 LYS 57 HB1 LYS 57 11.549 5.731 4.118 417 HG2 LYS 57 HG2 LYS 57 11.407 6.697 6.327 418 HG3 LYS 57 HG1 LYS 57 9.832 6.802 5.526 419 HD2 LYS 57 HD2 LYS 57 9.210 4.652 6.690 420 HD3 LYS 57 HD1 LYS 57 10.703 4.811 7.609 421 HE2 LYS 57 HE2 LYS 57 9.925 6.837 8.609 422 HE3 LYS 57 HE1 LYS 57 8.533 6.874 7.518 423 HZ1 LYS 57 HZ1 LYS 57 9.063 4.757 9.505 424 HZ2 LYS 57 HZ2 LYS 57 7.706 4.864 8.510 425 HZ3 LYS 57 HZ3 LYS 57 7.969 6.022 9.742 426 H ILE 58 HN ILE 58 7.561 5.369 4.304 427 HA ILE 58 HA ILE 58 7.802 6.319 1.538 428 HB ILE 58 HB ILE 58 5.221 5.347 2.809 429 HG12 ILE 58 HG12 ILE 58 6.979 3.920 0.786 430 HG13 ILE 58 HG11 ILE 58 6.841 3.479 2.481 431 HG21 ILE 58 HG21 ILE 58 5.944 6.044 -0.042 432 HG22 ILE 58 HG22 ILE 58 4.940 7.008 1.038 433 HG23 ILE 58 HG23 ILE 58 4.383 5.423 0.494 434 HD11 ILE 58 HD11 ILE 58 4.479 2.958 2.143 435 HD12 ILE 58 HD12 ILE 58 5.521 2.015 1.078 436 HD13 ILE 58 HD13 ILE 58 4.627 3.397 0.441 437 HA PRO 59 HA PRO 59 6.943 10.208 3.869 438 HB2 PRO 59 HB2 PRO 59 7.681 11.779 1.841 439 HB3 PRO 59 HB1 PRO 59 8.900 10.998 2.874 440 HG2 PRO 59 HG2 PRO 59 7.794 10.119 0.235 441 HG3 PRO 59 HG1 PRO 59 9.515 10.293 0.692 442 HD2 PRO 59 HD2 PRO 59 8.337 7.909 0.728 443 HD3 PRO 59 HD1 PRO 59 9.421 8.378 2.064 444 H ASP 60 HN ASP 60 5.390 11.788 3.542 445 HA ASP 60 HA ASP 60 2.942 11.216 2.425 446 HB2 ASP 60 HB2 ASP 60 3.272 13.089 3.947 447 HB3 ASP 60 HB1 ASP 60 4.239 13.933 2.747 448 H ASP 61 HN ASP 61 5.583 12.932 0.965 449 HA ASP 61 HA ASP 61 4.619 13.705 -1.490 450 HB2 ASP 61 HB2 ASP 61 6.808 14.329 -0.583 451 HB3 ASP 61 HB1 ASP 61 7.357 12.692 -0.805 452 H ASP 62 HN ASP 62 6.030 10.567 -0.655 453 HA ASP 62 HA ASP 62 5.541 9.670 -3.366 454 HB2 ASP 62 HB2 ASP 62 6.859 8.283 -1.045 455 HB3 ASP 62 HB1 ASP 62 6.499 7.463 -2.561 456 H VAL 63 HN VAL 63 4.183 9.301 -0.215 457 HA VAL 63 HA VAL 63 2.430 7.163 -0.472 458 HB VAL 63 HB VAL 63 1.908 9.883 0.823 459 HG11 VAL 63 HG11 VAL 63 -0.189 8.774 0.412 460 HG12 VAL 63 HG12 VAL 63 0.172 8.820 2.135 461 HG13 VAL 63 HG13 VAL 63 0.392 7.320 1.227 462 HG21 VAL 63 HG21 VAL 63 3.785 8.715 1.816 463 HG22 VAL 63 HG22 VAL 63 2.789 7.279 2.043 464 HG23 VAL 63 HG23 VAL 63 2.417 8.762 2.927 465 H LYS 64 HN LYS 64 1.949 10.499 -1.380 466 HA LYS 64 HA LYS 64 -0.609 10.147 -2.556 467 HB2 LYS 64 HB2 LYS 64 -0.295 12.468 -3.396 468 HB3 LYS 64 HB1 LYS 64 -0.052 12.274 -1.663 469 HG2 LYS 64 HG2 LYS 64 2.374 12.211 -2.038 470 HG3 LYS 64 HG1 LYS 64 2.097 12.488 -3.753 471 HD2 LYS 64 HD2 LYS 64 1.200 14.347 -1.568 472 HD3 LYS 64 HD1 LYS 64 2.723 14.506 -2.436 473 HE2 LYS 64 HE2 LYS 64 1.519 14.725 -4.538 474 HE3 LYS 64 HE1 LYS 64 -0.020 14.539 -3.693 475 HZ1 LYS 64 HZ1 LYS 64 0.457 16.560 -2.476 476 HZ2 LYS 64 HZ2 LYS 64 0.431 16.818 -4.132 477 HZ3 LYS 64 HZ3 LYS 64 1.911 16.785 -3.323 478 H ASN 65 HN ASN 65 2.329 9.089 -3.867 479 HA ASN 65 HA ASN 65 1.564 9.686 -6.598 480 HB2 ASN 65 HB2 ASN 65 3.992 8.446 -5.378 481 HB3 ASN 65 HB1 ASN 65 3.741 8.661 -7.084 482 HD21 ASN 65 HD21 ASN 65 5.883 9.724 -5.594 483 HD22 ASN 65 HD22 ASN 65 5.815 11.452 -5.617 484 H LEU 66 HN LEU 66 1.635 7.275 -4.151 485 HA LEU 66 HA LEU 66 1.487 5.108 -5.980 486 HB2 LEU 66 HB2 LEU 66 0.974 5.161 -2.994 487 HB3 LEU 66 HB1 LEU 66 1.240 3.746 -3.983 488 HG LEU 66 HG LEU 66 3.260 5.792 -3.089 489 HD11 LEU 66 HD11 LEU 66 2.826 4.138 -1.409 490 HD12 LEU 66 HD12 LEU 66 4.386 3.739 -2.152 491 HD13 LEU 66 HD13 LEU 66 2.957 2.843 -2.576 492 HD21 LEU 66 HD21 LEU 66 3.680 3.525 -5.046 493 HD22 LEU 66 HD22 LEU 66 4.946 4.549 -4.372 494 HD23 LEU 66 HD23 LEU 66 3.723 5.243 -5.438 495 H LYS 67 HN LYS 67 -0.342 4.378 -6.631 496 HA LYS 67 HA LYS 67 -2.712 5.206 -5.180 497 HB2 LYS 67 HB2 LYS 67 -4.100 5.301 -7.249 498 HB3 LYS 67 HB1 LYS 67 -2.886 6.553 -7.160 499 HG2 LYS 67 HG2 LYS 67 -2.512 4.045 -8.786 500 HG3 LYS 67 HG1 LYS 67 -3.334 5.471 -9.414 501 HD2 LYS 67 HD2 LYS 67 -1.292 6.798 -8.948 502 HD3 LYS 67 HD1 LYS 67 -0.489 5.317 -8.424 503 HE2 LYS 67 HE2 LYS 67 0.088 5.890 -10.741 504 HE3 LYS 67 HE1 LYS 67 -0.764 4.354 -10.638 505 HZ1 LYS 67 HZ1 LYS 67 -1.485 5.869 -12.465 506 HZ2 LYS 67 HZ2 LYS 67 -2.178 6.892 -11.272 507 HZ3 LYS 67 HZ3 LYS 67 -2.721 5.319 -11.471 508 H THR 68 HN THR 68 -1.199 2.732 -7.153 509 HA THR 68 HA THR 68 -3.307 0.984 -6.208 510 HB THR 68 HB THR 68 -2.769 -0.531 -7.934 511 HG1 THR 68 HG1 THR 68 -0.740 1.219 -8.849 512 HG21 THR 68 HG21 THR 68 -2.734 2.267 -9.092 513 HG22 THR 68 HG22 THR 68 -4.169 1.341 -8.656 514 HG23 THR 68 HG23 THR 68 -3.144 0.803 -9.987 515 H VAL 69 HN VAL 69 -2.347 -1.280 -6.114 516 HA VAL 69 HA VAL 69 -0.363 -1.303 -4.033 517 HB VAL 69 HB VAL 69 -1.505 -3.718 -5.422 518 HG11 VAL 69 HG11 VAL 69 0.339 -4.160 -3.937 519 HG12 VAL 69 HG12 VAL 69 -1.150 -4.831 -3.272 520 HG13 VAL 69 HG13 VAL 69 -0.484 -3.334 -2.617 521 HG21 VAL 69 HG21 VAL 69 -3.371 -2.348 -4.840 522 HG22 VAL 69 HG22 VAL 69 -2.785 -2.160 -3.192 523 HG23 VAL 69 HG23 VAL 69 -3.326 -3.755 -3.774 524 H GLY 70 HN GLY 70 -0.636 -1.553 -7.373 525 HA2 GLY 70 HA2 GLY 70 1.730 -3.136 -7.877 526 HA3 GLY 70 HA1 GLY 70 0.938 -2.074 -9.055 527 H ASP 71 HN ASP 71 0.903 0.241 -7.851 528 HA ASP 71 HA ASP 71 3.373 1.458 -8.158 529 HB2 ASP 71 HB2 ASP 71 0.831 2.048 -6.765 530 HB3 ASP 71 HB1 ASP 71 2.082 3.226 -6.706 531 H ALA 72 HN ALA 72 1.535 0.733 -5.224 532 HA ALA 72 HA ALA 72 3.304 1.653 -3.301 533 HB1 ALA 72 HB1 ALA 72 1.536 -0.763 -3.085 534 HB2 ALA 72 HB2 ALA 72 0.973 0.898 -2.858 535 HB3 ALA 72 HB3 ALA 72 2.170 0.188 -1.760 536 H THR 73 HN THR 73 2.860 -1.652 -4.247 537 HA THR 73 HA THR 73 4.818 -2.614 -2.687 538 HB THR 73 HB THR 73 3.780 -3.823 -5.232 539 HG1 THR 73 HG1 THR 73 2.053 -3.634 -4.041 540 HG21 THR 73 HG21 THR 73 5.007 -4.964 -2.780 541 HG22 THR 73 HG22 THR 73 5.781 -4.849 -4.362 542 HG23 THR 73 HG23 THR 73 4.369 -5.925 -4.132 543 H LYS 74 HN LYS 74 5.066 -1.595 -6.078 544 HA LYS 74 HA LYS 74 7.607 -2.566 -6.610 545 HB2 LYS 74 HB2 LYS 74 5.702 -0.674 -7.666 546 HB3 LYS 74 HB1 LYS 74 7.372 -0.304 -8.080 547 HG2 LYS 74 HG2 LYS 74 6.314 -1.608 -9.866 548 HG3 LYS 74 HG1 LYS 74 7.610 -2.522 -9.106 549 HD2 LYS 74 HD2 LYS 74 5.982 -3.816 -7.846 550 HD3 LYS 74 HD1 LYS 74 4.669 -2.838 -8.504 551 HE2 LYS 74 HE2 LYS 74 6.542 -4.558 -10.128 552 HE3 LYS 74 HE1 LYS 74 4.915 -5.020 -9.638 553 HZ1 LYS 74 HZ1 LYS 74 5.537 -2.655 -11.361 554 HZ2 LYS 74 HZ2 LYS 74 3.994 -3.295 -11.027 555 HZ3 LYS 74 HZ3 LYS 74 5.102 -4.168 -11.924 556 H TYR 75 HN TYR 75 6.344 0.501 -5.488 557 HA TYR 75 HA TYR 75 8.696 1.942 -5.232 558 HB2 TYR 75 HB2 TYR 75 6.362 2.857 -5.027 559 HB3 TYR 75 HB1 TYR 75 6.253 2.049 -3.514 560 HD1 TYR 75 HD1 TYR 75 8.516 4.574 -5.096 561 HD2 TYR 75 HD2 TYR 75 6.809 3.007 -1.538 562 HE1 TYR 75 HE1 TYR 75 9.627 6.330 -3.788 563 HE2 TYR 75 HE2 TYR 75 7.883 4.737 -0.234 564 HH TYR 75 HH TYR 75 9.309 7.488 -1.570 565 H ILE 76 HN ILE 76 6.913 0.071 -2.908 566 HA ILE 76 HA ILE 76 8.417 0.500 -0.659 567 HB ILE 76 HB ILE 76 6.690 -1.821 -1.499 568 HG12 ILE 76 HG12 ILE 76 6.189 0.266 0.578 569 HG13 ILE 76 HG11 ILE 76 5.828 0.549 -1.122 570 HG21 ILE 76 HG21 ILE 76 6.639 -2.501 0.852 571 HG22 ILE 76 HG22 ILE 76 7.855 -1.279 1.231 572 HG23 ILE 76 HG23 ILE 76 8.267 -2.641 0.190 573 HD11 ILE 76 HD11 ILE 76 4.729 -1.662 0.582 574 HD12 ILE 76 HD12 ILE 76 4.408 -1.359 -1.138 575 HD13 ILE 76 HD13 ILE 76 3.862 -0.190 0.071 576 H LEU 77 HN LEU 77 8.549 -2.505 -2.620 577 HA LEU 77 HA LEU 77 10.611 -3.791 -1.450 578 HB2 LEU 77 HB2 LEU 77 8.942 -4.486 -3.195 579 HB3 LEU 77 HB1 LEU 77 9.886 -3.641 -4.375 580 HG LEU 77 HG LEU 77 10.600 -6.198 -2.939 581 HD11 LEU 77 HD11 LEU 77 9.908 -5.456 -5.741 582 HD12 LEU 77 HD12 LEU 77 8.916 -6.378 -4.614 583 HD13 LEU 77 HD13 LEU 77 10.427 -7.074 -5.248 584 HD21 LEU 77 HD21 LEU 77 12.573 -6.325 -4.402 585 HD22 LEU 77 HD22 LEU 77 12.678 -4.892 -3.378 586 HD23 LEU 77 HD23 LEU 77 12.200 -4.734 -5.068 587 H ASP 78 HN ASP 78 10.521 -1.456 -4.038 588 HA ASP 78 HA ASP 78 13.235 -1.751 -4.814 589 HB2 ASP 78 HB2 ASP 78 11.699 -1.289 -6.467 590 HB3 ASP 78 HB1 ASP 78 10.995 0.105 -5.713 591 H HIS 79 HN HIS 79 11.559 0.249 -2.606 592 HA HIS 79 HA HIS 79 14.004 1.755 -2.136 593 HB2 HIS 79 HB2 HIS 79 11.151 2.361 -1.513 594 HB3 HIS 79 HB1 HIS 79 12.428 3.124 -0.582 595 HD1 HIS 79 HD1 HIS 79 13.052 5.332 -1.480 596 HD2 HIS 79 HD2 HIS 79 11.715 2.791 -4.477 597 HE1 HIS 79 HE1 HIS 79 13.100 6.694 -3.590 598 HE2 HIS 79 HE2 HIS 79 12.626 5.018 -5.401 599 H GLN 80 HN GLN 80 12.467 -0.974 -0.839 600 HA GLN 80 HA GLN 80 12.916 -0.576 1.964 601 HB2 GLN 80 HB2 GLN 80 13.054 -3.104 0.449 602 HB3 GLN 80 HB1 GLN 80 12.906 -2.967 2.181 603 HG2 GLN 80 HG2 GLN 80 10.685 -2.104 1.921 604 HG3 GLN 80 HG1 GLN 80 10.912 -2.141 0.163 605 HE21 GLN 80 HE21 GLN 80 9.039 -3.483 1.696 606 HE22 GLN 80 HE22 GLN 80 9.200 -5.207 1.442 607 H ALA 81 HN ALA 81 14.330 -2.483 -0.263 608 HA ALA 81 HA ALA 81 16.884 -2.240 1.150 609 HB1 ALA 81 HB1 ALA 81 17.427 -4.569 0.608 610 HB2 ALA 81 HB2 ALA 81 15.880 -4.731 -0.219 611 HB3 ALA 81 HB3 ALA 81 15.923 -4.445 1.522 612 H1 SYO 101 H1A SYO 101 -3.413 5.999 0.245 613 H1A SYO 101 H1B SYO 101 -1.786 6.690 0.076 614 H2 SYO 101 H2A SYO 101 -2.017 6.941 -2.121 615 H2A SYO 101 H2B SYO 101 -3.812 6.867 -2.141 616 H4 SYO 101 H4A SYO 101 -0.705 5.096 -1.859 617 H4A SYO 101 H4B SYO 101 -1.294 3.883 -2.996 618 H5 SYO 101 H5A SYO 101 -1.867 2.401 -1.257 619 H5A SYO 101 H5B SYO 101 -1.709 3.659 -0.030 620 H6 SYO 101 H6A SYO 101 0.689 3.777 -0.459 621 H6A SYO 101 H6B SYO 101 0.532 2.510 -1.675 622 H7 SYO 101 H7A SYO 101 -0.218 0.935 0.015 623 H7A SYO 101 H7B SYO 101 -0.156 2.212 1.247 624 H8 SYO 101 H8C SYO 101 1.838 0.800 1.311 625 H8A SYO 101 H8A SYO 101 2.242 2.450 0.845 626 H8B SYO 101 H8B SYO 101 2.165 1.182 -0.379 627 H28 SYO 101 H28A SYO 101 -7.416 12.533 -1.046 628 H28A SYO 101 H28B SYO 101 -7.698 10.890 -1.578 629 H30 SYO 101 H30A SYO 101 -8.722 14.303 -2.494 630 H30A SYO 101 H30B SYO 101 -10.061 13.156 -2.502 631 H30B SYO 101 H30C SYO 101 -9.446 13.787 -4.047 632 H31 SYO 101 H31A SYO 101 -6.494 13.527 -3.099 633 H31A SYO 101 H31B SYO 101 -7.054 13.001 -4.690 634 H31B SYO 101 H31C SYO 101 -6.258 11.853 -3.609 635 H32 SYO 101 H32A SYO 101 -9.675 10.655 -3.279 636 HO33 SYO 101 H33A SYO 101 -9.449 10.892 -5.732 637 HN36 SYO 101 H36A SYO 101 -7.538 9.827 -2.405 638 H37 SYO 101 H37A SYO 101 -6.028 8.045 -2.473 639 H37A SYO 101 H37B SYO 101 -6.854 7.548 -3.938 640 H38 SYO 101 H38A SYO 101 -4.537 7.853 -4.376 641 H38A SYO 101 H38B SYO 101 -5.433 9.103 -5.278 642 HN41 SYO 101 H41A SYO 101 -4.379 8.793 -1.974 643 H42 SYO 101 H42A SYO 101 -2.397 10.922 -2.227 644 H42A SYO 101 H42B SYO 101 -3.685 11.055 -1.047 645 H43 SYO 101 H43A SYO 101 -1.807 10.145 0.081 646 H43A SYO 101 H43B SYO 101 -1.620 8.922 -1.171 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 13.670 -6.178 5.746 2 H2 ALA 1 HT2 ALA 1 14.819 -4.957 5.457 3 H3 ALA 1 HT3 ALA 1 15.188 -6.587 5.205 4 HA ALA 1 HA ALA 1 13.035 -5.225 3.728 5 HB1 ALA 1 HB1 ALA 1 15.846 -5.793 2.794 6 HB2 ALA 1 HB2 ALA 1 15.182 -4.200 3.158 7 HB3 ALA 1 HB3 ALA 1 14.534 -5.141 1.813 8 H ALA 2 HN ALA 2 12.218 -6.536 1.996 9 HA ALA 2 HA ALA 2 13.148 -9.269 1.956 10 HB1 ALA 2 HB1 ALA 2 10.964 -10.272 2.325 11 HB2 ALA 2 HB2 ALA 2 10.243 -8.678 2.536 12 HB3 ALA 2 HB3 ALA 2 11.415 -9.276 3.710 13 H THR 3 HN THR 3 9.974 -8.382 0.734 14 HA THR 3 HA THR 3 10.667 -7.678 -1.868 15 HB THR 3 HB THR 3 11.638 -9.950 -2.006 16 HG1 THR 3 HG1 THR 3 10.563 -10.647 -3.819 17 HG21 THR 3 HG21 THR 3 10.210 -11.948 -1.827 18 HG22 THR 3 HG22 THR 3 8.866 -10.928 -1.309 19 HG23 THR 3 HG23 THR 3 10.306 -11.065 -0.304 20 H GLN 4 HN GLN 4 8.728 -8.408 -3.321 21 HA GLN 4 HA GLN 4 6.406 -7.092 -2.554 22 HB2 GLN 4 HB2 GLN 4 7.004 -7.554 -4.885 23 HB3 GLN 4 HB1 GLN 4 6.694 -9.261 -4.639 24 HG2 GLN 4 HG2 GLN 4 4.465 -7.466 -4.005 25 HG3 GLN 4 HG1 GLN 4 4.917 -7.486 -5.689 26 HE21 GLN 4 HE21 GLN 4 3.495 -9.240 -3.058 27 HE22 GLN 4 HE22 GLN 4 2.861 -10.538 -3.991 28 H GLU 5 HN GLU 5 7.214 -10.465 -2.271 29 HA GLU 5 HA GLU 5 4.792 -11.621 -1.631 30 HB2 GLU 5 HB2 GLU 5 7.486 -12.195 -0.409 31 HB3 GLU 5 HB1 GLU 5 6.096 -13.262 -0.355 32 HG2 GLU 5 HG2 GLU 5 7.485 -12.382 -2.870 33 HG3 GLU 5 HG1 GLU 5 7.791 -13.895 -2.024 34 H GLU 6 HN GLU 6 7.110 -10.062 0.525 35 HA GLU 6 HA GLU 6 5.575 -10.370 2.906 36 HB2 GLU 6 HB2 GLU 6 8.060 -10.083 2.827 37 HB3 GLU 6 HB1 GLU 6 7.813 -8.449 2.265 38 HG2 GLU 6 HG2 GLU 6 8.353 -8.426 4.606 39 HG3 GLU 6 HG1 GLU 6 6.695 -7.880 4.372 40 H ILE 7 HN ILE 7 5.708 -7.996 0.332 41 HA ILE 7 HA ILE 7 4.703 -5.836 1.909 42 HB ILE 7 HB ILE 7 5.178 -6.201 -1.048 43 HG12 ILE 7 HG12 ILE 7 6.662 -4.591 1.023 44 HG13 ILE 7 HG11 ILE 7 7.137 -6.202 0.514 45 HG21 ILE 7 HG21 ILE 7 4.430 -3.687 0.460 46 HG22 ILE 7 HG22 ILE 7 3.403 -4.542 -0.692 47 HG23 ILE 7 HG23 ILE 7 4.891 -3.771 -1.241 48 HD11 ILE 7 HD11 ILE 7 7.521 -5.417 -1.711 49 HD12 ILE 7 HD12 ILE 7 8.404 -4.400 -0.536 50 HD13 ILE 7 HD13 ILE 7 6.912 -3.823 -1.273 51 H VAL 8 HN VAL 8 3.396 -7.351 -1.011 52 HA VAL 8 HA VAL 8 0.832 -6.319 -0.635 53 HB VAL 8 HB VAL 8 1.670 -8.754 -2.222 54 HG11 VAL 8 HG11 VAL 8 -0.389 -8.413 -3.532 55 HG12 VAL 8 HG12 VAL 8 -0.863 -7.107 -2.445 56 HG13 VAL 8 HG13 VAL 8 -0.763 -8.763 -1.845 57 HG21 VAL 8 HG21 VAL 8 2.823 -6.755 -2.894 58 HG22 VAL 8 HG22 VAL 8 1.301 -5.886 -3.030 59 HG23 VAL 8 HG23 VAL 8 1.656 -7.221 -4.131 60 H ALA 9 HN ALA 9 2.136 -9.314 0.595 61 HA ALA 9 HA ALA 9 -0.358 -10.331 1.415 62 HB1 ALA 9 HB1 ALA 9 0.907 -11.820 2.856 63 HB2 ALA 9 HB2 ALA 9 2.358 -10.847 2.607 64 HB3 ALA 9 HB3 ALA 9 1.643 -11.725 1.256 65 H GLY 10 HN GLY 10 1.933 -8.103 2.911 66 HA2 GLY 10 HA2 GLY 10 0.554 -8.191 5.409 67 HA3 GLY 10 HA1 GLY 10 1.979 -7.229 5.031 68 H LEU 11 HN LEU 11 0.903 -6.084 2.652 69 HA LEU 11 HA LEU 11 -0.297 -3.808 3.713 70 HB2 LEU 11 HB2 LEU 11 0.920 -4.615 1.356 71 HB3 LEU 11 HB1 LEU 11 -0.724 -4.317 0.897 72 HG LEU 11 HG LEU 11 1.110 -2.312 2.228 73 HD11 LEU 11 HD11 LEU 11 1.744 -2.776 -0.062 74 HD12 LEU 11 HD12 LEU 11 1.042 -1.164 0.080 75 HD13 LEU 11 HD13 LEU 11 0.089 -2.485 -0.596 76 HD21 LEU 11 HD21 LEU 11 -1.700 -2.020 1.199 77 HD22 LEU 11 HD22 LEU 11 -0.668 -0.697 1.743 78 HD23 LEU 11 HD23 LEU 11 -1.184 -1.942 2.882 79 H ALA 12 HN ALA 12 -1.476 -6.634 1.942 80 HA ALA 12 HA ALA 12 -4.130 -5.930 1.648 81 HB1 ALA 12 HB1 ALA 12 -3.142 -7.930 0.631 82 HB2 ALA 12 HB2 ALA 12 -4.583 -8.334 1.568 83 HB3 ALA 12 HB3 ALA 12 -2.982 -8.662 2.228 84 H GLU 13 HN GLU 13 -2.477 -7.524 4.311 85 HA GLU 13 HA GLU 13 -4.716 -7.959 5.907 86 HB2 GLU 13 HB2 GLU 13 -1.839 -7.681 6.697 87 HB3 GLU 13 HB1 GLU 13 -3.118 -8.278 7.750 88 HG2 GLU 13 HG2 GLU 13 -3.554 -10.078 6.219 89 HG3 GLU 13 HG1 GLU 13 -2.278 -9.505 5.149 90 H ILE 14 HN ILE 14 -2.522 -5.282 5.791 91 HA ILE 14 HA ILE 14 -3.533 -3.767 7.958 92 HB ILE 14 HB ILE 14 -2.498 -2.750 5.286 93 HG12 ILE 14 HG12 ILE 14 -0.962 -3.058 7.846 94 HG13 ILE 14 HG11 ILE 14 -1.053 -4.342 6.649 95 HG21 ILE 14 HG21 ILE 14 -2.670 -1.381 7.981 96 HG22 ILE 14 HG22 ILE 14 -3.664 -1.015 6.569 97 HG23 ILE 14 HG23 ILE 14 -1.926 -0.707 6.528 98 HD11 ILE 14 HD11 ILE 14 -0.106 -2.906 5.013 99 HD12 ILE 14 HD12 ILE 14 0.951 -3.090 6.417 100 HD13 ILE 14 HD13 ILE 14 0.023 -1.588 6.189 101 H VAL 15 HN VAL 15 -4.524 -4.042 4.617 102 HA VAL 15 HA VAL 15 -6.443 -1.953 4.601 103 HB VAL 15 HB VAL 15 -5.870 -4.254 2.714 104 HG11 VAL 15 HG11 VAL 15 -7.738 -1.944 2.295 105 HG12 VAL 15 HG12 VAL 15 -8.205 -3.635 2.492 106 HG13 VAL 15 HG13 VAL 15 -7.266 -3.137 1.084 107 HG21 VAL 15 HG21 VAL 15 -4.164 -2.599 2.853 108 HG22 VAL 15 HG22 VAL 15 -5.347 -1.314 2.565 109 HG23 VAL 15 HG23 VAL 15 -4.989 -2.500 1.292 110 H ASN 16 HN ASN 16 -6.451 -5.227 5.434 111 HA ASN 16 HA ASN 16 -9.287 -5.683 5.291 112 HB2 ASN 16 HB2 ASN 16 -7.453 -7.246 7.164 113 HB3 ASN 16 HB1 ASN 16 -8.983 -7.706 6.470 114 HD21 ASN 16 HD21 ASN 16 -8.339 -6.771 3.921 115 HD22 ASN 16 HD22 ASN 16 -7.121 -7.834 3.247 116 H GLU 17 HN GLU 17 -7.085 -4.601 7.770 117 HA GLU 17 HA GLU 17 -9.141 -4.489 9.781 118 HB2 GLU 17 HB2 GLU 17 -6.279 -3.553 9.810 119 HB3 GLU 17 HB1 GLU 17 -7.348 -3.575 11.208 120 HG2 GLU 17 HG2 GLU 17 -7.578 -5.999 10.977 121 HG3 GLU 17 HG1 GLU 17 -6.459 -5.963 9.612 122 H ILE 18 HN ILE 18 -7.253 -2.179 7.917 123 HA ILE 18 HA ILE 18 -8.308 0.211 8.955 124 HB ILE 18 HB ILE 18 -7.145 -0.520 6.273 125 HG12 ILE 18 HG12 ILE 18 -5.701 -0.522 8.354 126 HG13 ILE 18 HG11 ILE 18 -5.125 0.497 7.043 127 HG21 ILE 18 HG21 ILE 18 -8.623 1.339 5.872 128 HG22 ILE 18 HG22 ILE 18 -6.941 1.865 5.761 129 HG23 ILE 18 HG23 ILE 18 -7.893 2.242 7.200 130 HD11 ILE 18 HD11 ILE 18 -4.842 1.541 9.204 131 HD12 ILE 18 HD12 ILE 18 -6.560 1.343 9.565 132 HD13 ILE 18 HD13 ILE 18 -6.042 2.436 8.277 133 H ALA 19 HN ALA 19 -9.307 -1.634 6.041 134 HA ALA 19 HA ALA 19 -11.767 -0.055 6.082 135 HB1 ALA 19 HB1 ALA 19 -11.986 -0.464 3.690 136 HB2 ALA 19 HB2 ALA 19 -10.518 -1.439 3.708 137 HB3 ALA 19 HB3 ALA 19 -10.432 0.288 4.052 138 H GLY 20 HN GLY 20 -11.153 -3.042 4.368 139 HA2 GLY 20 HA2 GLY 20 -12.221 -4.928 6.020 140 HA3 GLY 20 HA1 GLY 20 -13.624 -4.143 5.311 141 H ILE 21 HN ILE 21 -10.492 -4.906 4.026 142 HA ILE 21 HA ILE 21 -11.759 -6.098 1.717 143 HB ILE 21 HB ILE 21 -9.098 -4.988 2.321 144 HG12 ILE 21 HG12 ILE 21 -9.246 -4.181 -0.033 145 HG13 ILE 21 HG11 ILE 21 -10.762 -5.052 -0.196 146 HG21 ILE 21 HG21 ILE 21 -9.243 -7.245 0.342 147 HG22 ILE 21 HG22 ILE 21 -8.280 -7.172 1.819 148 HG23 ILE 21 HG23 ILE 21 -7.911 -6.100 0.478 149 HD11 ILE 21 HD11 ILE 21 -11.140 -2.689 0.195 150 HD12 ILE 21 HD12 ILE 21 -10.213 -2.773 1.693 151 HD13 ILE 21 HD13 ILE 21 -11.741 -3.642 1.554 152 HA PRO 22 HA PRO 22 -11.155 -10.193 3.233 153 HB2 PRO 22 HB2 PRO 22 -11.331 -11.044 0.475 154 HB3 PRO 22 HB1 PRO 22 -12.579 -11.242 1.761 155 HG2 PRO 22 HG2 PRO 22 -12.980 -9.613 -0.348 156 HG3 PRO 22 HG1 PRO 22 -13.437 -9.084 1.286 157 HD2 PRO 22 HD2 PRO 22 -10.908 -8.542 -0.173 158 HD3 PRO 22 HD1 PRO 22 -12.012 -7.332 0.513 159 H VAL 23 HN VAL 23 -8.704 -8.911 2.545 160 HA VAL 23 HA VAL 23 -6.487 -9.191 2.166 161 HB VAL 23 HB VAL 23 -6.979 -10.834 4.050 162 HG11 VAL 23 HG11 VAL 23 -7.917 -12.668 2.861 163 HG12 VAL 23 HG12 VAL 23 -6.450 -13.185 3.693 164 HG13 VAL 23 HG13 VAL 23 -6.423 -12.896 1.952 165 HG21 VAL 23 HG21 VAL 23 -4.766 -9.946 3.696 166 HG22 VAL 23 HG22 VAL 23 -4.439 -11.165 2.465 167 HG23 VAL 23 HG23 VAL 23 -4.660 -11.648 4.146 168 H GLU 24 HN GLU 24 -8.365 -10.877 -0.097 169 HA GLU 24 HA GLU 24 -5.888 -11.335 -1.627 170 HB2 GLU 24 HB2 GLU 24 -8.564 -12.676 -1.966 171 HB3 GLU 24 HB1 GLU 24 -7.096 -13.043 -2.869 172 HG2 GLU 24 HG2 GLU 24 -6.019 -13.741 -0.778 173 HG3 GLU 24 HG1 GLU 24 -7.525 -13.425 0.082 174 H ASP 25 HN ASP 25 -8.210 -9.226 -1.283 175 HA ASP 25 HA ASP 25 -9.068 -8.727 -4.003 176 HB2 ASP 25 HB2 ASP 25 -10.162 -8.025 -1.715 177 HB3 ASP 25 HB1 ASP 25 -9.054 -6.682 -1.821 178 H VAL 26 HN VAL 26 -6.665 -7.829 -1.868 179 HA VAL 26 HA VAL 26 -5.689 -5.433 -3.164 180 HB VAL 26 HB VAL 26 -4.298 -7.130 -1.064 181 HG11 VAL 26 HG11 VAL 26 -4.020 -4.225 -1.756 182 HG12 VAL 26 HG12 VAL 26 -2.814 -5.483 -2.060 183 HG13 VAL 26 HG13 VAL 26 -3.249 -5.034 -0.391 184 HG21 VAL 26 HG21 VAL 26 -6.212 -4.855 -0.667 185 HG22 VAL 26 HG22 VAL 26 -5.277 -5.656 0.600 186 HG23 VAL 26 HG23 VAL 26 -6.507 -6.552 -0.292 187 H LYS 27 HN LYS 27 -5.176 -5.994 -5.277 188 HA LYS 27 HA LYS 27 -2.810 -7.699 -5.518 189 HB2 LYS 27 HB2 LYS 27 -5.061 -7.276 -7.464 190 HB3 LYS 27 HB1 LYS 27 -3.514 -7.946 -7.949 191 HG2 LYS 27 HG2 LYS 27 -3.877 -9.759 -6.261 192 HG3 LYS 27 HG1 LYS 27 -5.503 -9.112 -6.007 193 HD2 LYS 27 HD2 LYS 27 -6.047 -9.488 -8.326 194 HD3 LYS 27 HD1 LYS 27 -4.391 -10.018 -8.646 195 HE2 LYS 27 HE2 LYS 27 -4.723 -11.890 -7.076 196 HE3 LYS 27 HE1 LYS 27 -6.391 -11.370 -6.837 197 HZ1 LYS 27 HZ1 LYS 27 -6.827 -11.785 -9.175 198 HZ2 LYS 27 HZ2 LYS 27 -6.214 -13.173 -8.429 199 HZ3 LYS 27 HZ3 LYS 27 -5.208 -12.239 -9.420 200 H LEU 28 HN LEU 28 -1.465 -7.089 -7.403 201 HA LEU 28 HA LEU 28 -0.797 -4.364 -7.069 202 HB2 LEU 28 HB2 LEU 28 0.320 -6.480 -8.898 203 HB3 LEU 28 HB1 LEU 28 0.973 -4.867 -8.710 204 HG LEU 28 HG LEU 28 1.197 -5.522 -6.207 205 HD11 LEU 28 HD11 LEU 28 -0.012 -7.593 -6.233 206 HD12 LEU 28 HD12 LEU 28 1.678 -7.889 -5.822 207 HD13 LEU 28 HD13 LEU 28 1.088 -8.256 -7.442 208 HD21 LEU 28 HD21 LEU 28 3.014 -5.026 -7.651 209 HD22 LEU 28 HD22 LEU 28 2.988 -6.662 -8.323 210 HD23 LEU 28 HD23 LEU 28 3.426 -6.402 -6.624 211 H ASP 29 HN ASP 29 -1.091 -2.765 -8.371 212 HA ASP 29 HA ASP 29 -1.795 -1.456 -10.048 213 HB2 ASP 29 HB2 ASP 29 -1.179 -3.316 -11.688 214 HB3 ASP 29 HB1 ASP 29 -2.808 -3.912 -11.506 215 H LYS 30 HN LYS 30 -3.360 -2.932 -7.838 216 HA LYS 30 HA LYS 30 -6.022 -2.045 -8.677 217 HB2 LYS 30 HB2 LYS 30 -5.250 -3.598 -6.212 218 HB3 LYS 30 HB1 LYS 30 -6.819 -2.927 -6.708 219 HG2 LYS 30 HG2 LYS 30 -5.368 -4.934 -8.379 220 HG3 LYS 30 HG1 LYS 30 -6.448 -5.404 -7.054 221 HD2 LYS 30 HD2 LYS 30 -8.277 -4.189 -8.098 222 HD3 LYS 30 HD1 LYS 30 -7.205 -3.627 -9.381 223 HE2 LYS 30 HE2 LYS 30 -6.847 -5.925 -10.075 224 HE3 LYS 30 HE1 LYS 30 -7.918 -6.482 -8.790 225 HZ1 LYS 30 HZ1 LYS 30 -9.026 -6.296 -11.044 226 HZ2 LYS 30 HZ2 LYS 30 -8.782 -4.632 -10.954 227 HZ3 LYS 30 HZ3 LYS 30 -9.766 -5.386 -9.827 228 H SER 31 HN SER 31 -6.747 -0.432 -7.933 229 HA SER 31 HA SER 31 -5.217 1.391 -6.285 230 HB2 SER 31 HB2 SER 31 -8.014 1.746 -7.368 231 HB3 SER 31 HB1 SER 31 -6.915 3.017 -6.830 232 HG SER 31 HG SER 31 -6.787 1.378 -9.107 233 H PHE 32 HN PHE 32 -5.311 1.094 -4.223 234 HA PHE 32 HA PHE 32 -6.906 -0.352 -2.598 235 HB2 PHE 32 HB2 PHE 32 -5.674 2.306 -1.936 236 HB3 PHE 32 HB1 PHE 32 -6.264 1.143 -0.767 237 HD1 PHE 32 HD2 PHE 32 -5.016 -0.929 -0.342 238 HD2 PHE 32 HD1 PHE 32 -3.591 2.013 -3.070 239 HE1 PHE 32 HE2 PHE 32 -2.784 -1.978 -0.331 240 HE2 PHE 32 HE1 PHE 32 -1.400 0.973 -3.051 241 HZ PHE 32 HZ PHE 32 -0.966 -0.964 -1.525 242 H THR 33 HN THR 33 -7.330 3.173 -2.788 243 HA THR 33 HA THR 33 -9.788 3.222 -1.565 244 HB THR 33 HB THR 33 -8.393 5.178 -1.755 245 HG1 THR 33 HG1 THR 33 -10.750 5.461 -1.665 246 HG21 THR 33 HG21 THR 33 -8.125 6.404 -3.867 247 HG22 THR 33 HG22 THR 33 -8.981 5.112 -4.712 248 HG23 THR 33 HG23 THR 33 -7.426 4.787 -3.948 249 H ASP 34 HN ASP 34 -9.145 2.971 -5.064 250 HA ASP 34 HA ASP 34 -11.975 3.273 -5.725 251 HB2 ASP 34 HB2 ASP 34 -10.252 4.342 -7.122 252 HB3 ASP 34 HB1 ASP 34 -9.620 2.756 -7.542 253 H ASP 35 HN ASP 35 -9.498 0.803 -6.292 254 HA ASP 35 HA ASP 35 -11.340 -1.048 -7.476 255 HB2 ASP 35 HB2 ASP 35 -8.454 -1.044 -6.788 256 HB3 ASP 35 HB1 ASP 35 -9.154 -2.552 -7.257 257 H LEU 36 HN LEU 36 -9.436 -0.866 -4.533 258 HA LEU 36 HA LEU 36 -10.327 -3.435 -3.602 259 HB2 LEU 36 HB2 LEU 36 -8.961 -1.270 -2.062 260 HB3 LEU 36 HB1 LEU 36 -9.070 -2.919 -1.565 261 HG LEU 36 HG LEU 36 -7.334 -1.652 -3.592 262 HD11 LEU 36 HD11 LEU 36 -5.664 -2.940 -2.335 263 HD12 LEU 36 HD12 LEU 36 -7.000 -3.562 -1.340 264 HD13 LEU 36 HD13 LEU 36 -6.632 -1.844 -1.328 265 HD21 LEU 36 HD21 LEU 36 -8.346 -3.508 -4.765 266 HD22 LEU 36 HD22 LEU 36 -7.918 -4.602 -3.435 267 HD23 LEU 36 HD23 LEU 36 -6.651 -3.822 -4.401 268 H ASP 37 HN ASP 37 -10.781 -0.126 -2.555 269 HA ASP 37 HA ASP 37 -12.583 0.953 -1.784 270 HB2 ASP 37 HB2 ASP 37 -14.266 -0.799 -2.224 271 HB3 ASP 37 HB1 ASP 37 -13.690 -1.657 -0.789 272 H VAL 38 HN VAL 38 -10.478 1.301 -0.866 273 HA VAL 38 HA VAL 38 -10.593 1.024 2.059 274 HB VAL 38 HB VAL 38 -8.283 2.007 0.379 275 HG11 VAL 38 HG11 VAL 38 -8.229 2.693 2.700 276 HG12 VAL 38 HG12 VAL 38 -6.955 1.515 2.381 277 HG13 VAL 38 HG13 VAL 38 -8.423 1.020 3.224 278 HG21 VAL 38 HG21 VAL 38 -8.772 -0.270 -0.270 279 HG22 VAL 38 HG22 VAL 38 -8.738 -0.781 1.420 280 HG23 VAL 38 HG23 VAL 38 -7.265 -0.197 0.639 281 H ASP 39 HN ASP 39 -11.425 2.763 2.977 282 HA ASP 39 HA ASP 39 -12.182 5.139 1.843 283 HB2 ASP 39 HB2 ASP 39 -11.196 4.696 4.654 284 HB3 ASP 39 HB1 ASP 39 -12.161 6.076 4.127 285 H SER 40 HN SER 40 -10.993 6.464 0.769 286 HA SER 40 HA SER 40 -8.292 6.786 0.581 287 HB2 SER 40 HB2 SER 40 -8.745 8.666 -0.652 288 HB3 SER 40 HB1 SER 40 -10.144 7.617 -0.863 289 H LEU 41 HN LEU 41 -10.242 8.118 3.168 290 HA LEU 41 HA LEU 41 -8.075 9.796 3.985 291 HB2 LEU 41 HB2 LEU 41 -9.456 10.274 6.035 292 HB3 LEU 41 HB1 LEU 41 -10.111 10.764 4.496 293 HG LEU 41 HG LEU 41 -11.543 8.641 4.623 294 HD11 LEU 41 HD11 LEU 41 -10.758 8.822 7.522 295 HD12 LEU 41 HD12 LEU 41 -10.359 7.507 6.416 296 HD13 LEU 41 HD13 LEU 41 -12.041 7.812 6.850 297 HD21 LEU 41 HD21 LEU 41 -13.198 9.798 5.979 298 HD22 LEU 41 HD22 LEU 41 -12.339 10.876 4.856 299 HD23 LEU 41 HD23 LEU 41 -11.918 10.876 6.566 300 H SER 42 HN SER 42 -9.196 6.605 4.969 301 HA SER 42 HA SER 42 -7.349 6.425 7.197 302 HB2 SER 42 HB2 SER 42 -8.629 4.122 5.772 303 HB3 SER 42 HB1 SER 42 -8.190 4.261 7.465 304 HG SER 42 HG SER 42 -10.447 4.458 6.671 305 H MET 43 HN MET 43 -7.306 6.204 3.940 306 HA MET 43 HA MET 43 -5.714 4.164 3.118 307 HB2 MET 43 HB2 MET 43 -7.121 5.728 1.834 308 HB3 MET 43 HB1 MET 43 -5.893 6.949 2.051 309 HG2 MET 43 HG2 MET 43 -5.696 6.103 -0.114 310 HG3 MET 43 HG1 MET 43 -4.337 5.480 0.811 311 HE1 MET 43 HE1 MET 43 -3.763 3.042 1.078 312 HE2 MET 43 HE2 MET 43 -4.926 1.725 0.955 313 HE3 MET 43 HE3 MET 43 -5.065 2.888 2.265 314 H VAL 44 HN VAL 44 -4.884 7.344 4.339 315 HA VAL 44 HA VAL 44 -2.189 7.392 3.712 316 HB VAL 44 HB VAL 44 -3.602 8.663 6.085 317 HG11 VAL 44 HG11 VAL 44 -1.189 8.607 6.442 318 HG12 VAL 44 HG12 VAL 44 -1.731 10.254 6.122 319 HG13 VAL 44 HG13 VAL 44 -0.925 9.327 4.855 320 HG21 VAL 44 HG21 VAL 44 -4.542 9.314 3.933 321 HG22 VAL 44 HG22 VAL 44 -2.931 9.762 3.356 322 HG23 VAL 44 HG23 VAL 44 -3.679 10.667 4.671 323 H GLU 45 HN GLU 45 -3.910 6.241 6.624 324 HA GLU 45 HA GLU 45 -1.784 5.514 8.279 325 HB2 GLU 45 HB2 GLU 45 -4.401 4.036 8.032 326 HB3 GLU 45 HB1 GLU 45 -3.320 4.044 9.413 327 HG2 GLU 45 HG2 GLU 45 -5.006 6.298 8.388 328 HG3 GLU 45 HG1 GLU 45 -5.197 5.338 9.867 329 H VAL 46 HN VAL 46 -3.476 3.785 5.766 330 HA VAL 46 HA VAL 46 -2.398 1.238 6.113 331 HB VAL 46 HB VAL 46 -3.198 2.486 3.477 332 HG11 VAL 46 HG11 VAL 46 -3.755 0.211 2.800 333 HG12 VAL 46 HG12 VAL 46 -3.140 -0.392 4.340 334 HG13 VAL 46 HG13 VAL 46 -2.045 0.380 3.194 335 HG21 VAL 46 HG21 VAL 46 -5.413 1.569 3.894 336 HG22 VAL 46 HG22 VAL 46 -4.958 2.773 5.099 337 HG23 VAL 46 HG23 VAL 46 -4.892 1.054 5.496 338 H VAL 47 HN VAL 47 -1.073 4.051 4.724 339 HA VAL 47 HA VAL 47 0.964 2.726 3.090 340 HB VAL 47 HB VAL 47 0.954 5.630 3.923 341 HG11 VAL 47 HG11 VAL 47 2.153 4.222 1.547 342 HG12 VAL 47 HG12 VAL 47 3.022 4.846 2.948 343 HG13 VAL 47 HG13 VAL 47 2.209 5.960 1.845 344 HG21 VAL 47 HG21 VAL 47 -0.421 4.414 1.533 345 HG22 VAL 47 HG22 VAL 47 -0.239 6.139 1.847 346 HG23 VAL 47 HG23 VAL 47 -1.211 5.141 2.929 347 H VAL 48 HN VAL 48 0.883 4.867 5.830 348 HA VAL 48 HA VAL 48 3.519 4.616 6.664 349 HB VAL 48 HB VAL 48 1.060 5.450 8.252 350 HG11 VAL 48 HG11 VAL 48 2.948 5.004 9.719 351 HG12 VAL 48 HG12 VAL 48 2.593 6.729 9.646 352 HG13 VAL 48 HG13 VAL 48 3.964 6.070 8.751 353 HG21 VAL 48 HG21 VAL 48 1.680 7.741 7.630 354 HG22 VAL 48 HG22 VAL 48 1.305 6.751 6.217 355 HG23 VAL 48 HG23 VAL 48 2.980 7.106 6.620 356 H ALA 49 HN ALA 49 0.822 2.512 7.057 357 HA ALA 49 HA ALA 49 2.033 1.145 9.198 358 HB1 ALA 49 HB1 ALA 49 -0.382 0.387 7.560 359 HB2 ALA 49 HB2 ALA 49 -0.391 1.216 9.118 360 HB3 ALA 49 HB3 ALA 49 0.160 -0.458 9.011 361 H ALA 50 HN ALA 50 1.567 0.871 5.766 362 HA ALA 50 HA ALA 50 2.445 -1.747 5.259 363 HB1 ALA 50 HB1 ALA 50 1.167 -0.392 3.624 364 HB2 ALA 50 HB2 ALA 50 2.654 -1.003 2.926 365 HB3 ALA 50 HB3 ALA 50 2.554 0.669 3.437 366 H GLU 51 HN GLU 51 4.233 1.280 4.768 367 HA GLU 51 HA GLU 51 6.481 -0.208 4.087 368 HB2 GLU 51 HB2 GLU 51 7.710 2.019 4.113 369 HB3 GLU 51 HB1 GLU 51 6.441 1.697 3.014 370 HG2 GLU 51 HG2 GLU 51 6.158 3.942 3.711 371 HG3 GLU 51 HG1 GLU 51 4.805 2.968 4.230 372 H GLU 52 HN GLU 52 5.809 1.367 7.101 373 HA GLU 52 HA GLU 52 8.026 0.689 8.574 374 HB2 GLU 52 HB2 GLU 52 5.132 0.944 9.174 375 HB3 GLU 52 HB1 GLU 52 6.180 0.345 10.450 376 HG2 GLU 52 HG2 GLU 52 6.482 2.952 8.971 377 HG3 GLU 52 HG1 GLU 52 5.764 2.746 10.560 378 H ARG 53 HN ARG 53 5.348 -1.391 7.669 379 HA ARG 53 HA ARG 53 6.145 -3.584 9.341 380 HB2 ARG 53 HB2 ARG 53 3.798 -3.242 8.758 381 HB3 ARG 53 HB1 ARG 53 4.175 -3.447 7.056 382 HG2 ARG 53 HG2 ARG 53 4.746 -5.772 7.420 383 HG3 ARG 53 HG1 ARG 53 4.507 -5.583 9.160 384 HD2 ARG 53 HD2 ARG 53 2.399 -5.183 7.054 385 HD3 ARG 53 HD1 ARG 53 2.558 -6.639 8.023 386 HE ARG 53 HE ARG 53 2.403 -4.315 9.639 387 HH11 ARG 53 HH11 ARG 53 0.435 -6.777 8.088 388 HH12 ARG 53 HH12 ARG 53 -1.052 -6.237 8.760 389 HH21 ARG 53 HH21 ARG 53 0.368 -3.523 10.532 390 HH22 ARG 53 HH22 ARG 53 -1.098 -4.299 10.140 391 H PHE 54 HN PHE 54 6.595 -2.621 6.042 392 HA PHE 54 HA PHE 54 7.581 -5.254 5.360 393 HB2 PHE 54 HB2 PHE 54 7.592 -2.849 3.550 394 HB3 PHE 54 HB1 PHE 54 7.724 -4.546 3.103 395 HD1 PHE 54 HD2 PHE 54 5.629 -5.562 4.974 396 HD2 PHE 54 HD1 PHE 54 5.687 -2.318 2.255 397 HE1 PHE 54 HE2 PHE 54 3.228 -5.770 4.679 398 HE2 PHE 54 HE1 PHE 54 3.279 -2.518 1.943 399 HZ PHE 54 HZ PHE 54 2.011 -4.047 3.272 400 H ASP 55 HN ASP 55 8.927 -1.944 5.644 401 HA ASP 55 HA ASP 55 11.230 -2.319 6.771 402 HB2 ASP 55 HB2 ASP 55 11.936 -4.048 5.150 403 HB3 ASP 55 HB1 ASP 55 11.832 -2.870 3.853 404 H VAL 56 HN VAL 56 9.811 -0.821 3.943 405 HA VAL 56 HA VAL 56 11.940 1.131 3.713 406 HB VAL 56 HB VAL 56 10.640 0.021 1.700 407 HG11 VAL 56 HG11 VAL 56 8.769 1.263 0.884 408 HG12 VAL 56 HG12 VAL 56 8.708 2.133 2.415 409 HG13 VAL 56 HG13 VAL 56 8.459 0.388 2.381 410 HG21 VAL 56 HG21 VAL 56 12.299 1.833 1.457 411 HG22 VAL 56 HG22 VAL 56 10.940 3.000 1.544 412 HG23 VAL 56 HG23 VAL 56 10.999 1.780 0.278 413 H LYS 57 HN LYS 57 11.140 3.510 3.257 414 HA LYS 57 HA LYS 57 9.043 4.290 5.123 415 HB2 LYS 57 HB2 LYS 57 11.310 4.691 6.114 416 HB3 LYS 57 HB1 LYS 57 11.713 5.647 4.698 417 HG2 LYS 57 HG2 LYS 57 11.145 6.943 6.769 418 HG3 LYS 57 HG1 LYS 57 10.260 7.373 5.307 419 HD2 LYS 57 HD2 LYS 57 8.905 7.254 7.445 420 HD3 LYS 57 HD1 LYS 57 8.282 6.349 6.076 421 HE2 LYS 57 HE2 LYS 57 8.042 5.033 8.083 422 HE3 LYS 57 HE1 LYS 57 9.242 4.292 7.042 423 HZ1 LYS 57 HZ1 LYS 57 9.771 4.267 9.334 424 HZ2 LYS 57 HZ2 LYS 57 9.840 5.959 9.426 425 HZ3 LYS 57 HZ3 LYS 57 10.976 5.096 8.489 426 H ILE 58 HN ILE 58 7.590 5.539 4.148 427 HA ILE 58 HA ILE 58 8.304 6.509 1.476 428 HB ILE 58 HB ILE 58 5.579 5.594 2.469 429 HG12 ILE 58 HG12 ILE 58 7.506 4.301 0.517 430 HG13 ILE 58 HG11 ILE 58 7.230 3.777 2.163 431 HG21 ILE 58 HG21 ILE 58 4.880 5.826 0.127 432 HG22 ILE 58 HG22 ILE 58 6.470 6.471 -0.282 433 HG23 ILE 58 HG23 ILE 58 5.404 7.373 0.794 434 HD11 ILE 58 HD11 ILE 58 4.920 3.251 1.593 435 HD12 ILE 58 HD12 ILE 58 6.106 2.370 0.635 436 HD13 ILE 58 HD13 ILE 58 5.232 3.735 -0.086 437 HA PRO 59 HA PRO 59 7.626 10.607 3.269 438 HB2 PRO 59 HB2 PRO 59 7.922 11.904 0.923 439 HB3 PRO 59 HB1 PRO 59 9.321 11.266 1.836 440 HG2 PRO 59 HG2 PRO 59 7.785 9.998 -0.409 441 HG3 PRO 59 HG1 PRO 59 9.558 10.252 -0.315 442 HD2 PRO 59 HD2 PRO 59 8.556 7.892 0.318 443 HD3 PRO 59 HD1 PRO 59 9.760 8.627 1.400 444 H ASP 60 HN ASP 60 5.944 12.124 3.111 445 HA ASP 60 HA ASP 60 3.396 11.273 2.421 446 HB2 ASP 60 HB2 ASP 60 4.424 14.104 2.693 447 HB3 ASP 60 HB1 ASP 60 2.725 13.714 2.477 448 H ASP 61 HN ASP 61 5.680 13.070 0.473 449 HA ASP 61 HA ASP 61 4.029 13.718 -1.714 450 HB2 ASP 61 HB2 ASP 61 6.973 13.017 -1.831 451 HB3 ASP 61 HB1 ASP 61 6.061 13.756 -3.129 452 H ASP 62 HN ASP 62 5.903 10.808 -1.059 453 HA ASP 62 HA ASP 62 5.038 9.683 -3.571 454 HB2 ASP 62 HB2 ASP 62 6.932 8.679 -1.501 455 HB3 ASP 62 HB1 ASP 62 6.254 7.570 -2.689 456 H VAL 63 HN VAL 63 4.202 9.412 -0.251 457 HA VAL 63 HA VAL 63 2.603 7.155 -0.195 458 HB VAL 63 HB VAL 63 2.157 9.902 1.071 459 HG11 VAL 63 HG11 VAL 63 0.033 8.728 0.982 460 HG12 VAL 63 HG12 VAL 63 0.633 8.830 2.639 461 HG13 VAL 63 HG13 VAL 63 0.772 7.318 1.741 462 HG21 VAL 63 HG21 VAL 63 3.233 7.345 2.236 463 HG22 VAL 63 HG22 VAL 63 2.965 8.849 3.118 464 HG23 VAL 63 HG23 VAL 63 4.170 8.783 1.832 465 H LYS 64 HN LYS 64 1.764 10.420 -1.108 466 HA LYS 64 HA LYS 64 -0.860 9.737 -2.011 467 HB2 LYS 64 HB2 LYS 64 -1.068 12.074 -2.601 468 HB3 LYS 64 HB1 LYS 64 -0.362 11.891 -1.004 469 HG2 LYS 64 HG2 LYS 64 1.891 12.204 -2.113 470 HG3 LYS 64 HG1 LYS 64 0.999 12.692 -3.554 471 HD2 LYS 64 HD2 LYS 64 0.928 13.981 -0.835 472 HD3 LYS 64 HD1 LYS 64 1.655 14.639 -2.293 473 HE2 LYS 64 HE2 LYS 64 -0.553 14.706 -3.370 474 HE3 LYS 64 HE1 LYS 64 -1.285 14.057 -1.904 475 HZ1 LYS 64 HZ1 LYS 64 -0.458 16.036 -0.736 476 HZ2 LYS 64 HZ2 LYS 64 -1.600 16.371 -1.920 477 HZ3 LYS 64 HZ3 LYS 64 0.060 16.674 -2.229 478 H ASN 65 HN ASN 65 2.022 9.076 -3.571 479 HA ASN 65 HA ASN 65 1.109 9.748 -6.240 480 HB2 ASN 65 HB2 ASN 65 3.617 8.567 -5.123 481 HB3 ASN 65 HB1 ASN 65 3.270 8.568 -6.830 482 HD21 ASN 65 HD21 ASN 65 5.520 9.953 -5.482 483 HD22 ASN 65 HD22 ASN 65 5.256 11.630 -5.810 484 H LEU 66 HN LEU 66 1.619 7.164 -3.988 485 HA LEU 66 HA LEU 66 1.219 5.067 -5.800 486 HB2 LEU 66 HB2 LEU 66 0.692 5.090 -2.817 487 HB3 LEU 66 HB1 LEU 66 1.009 3.697 -3.822 488 HG LEU 66 HG LEU 66 2.974 5.792 -2.904 489 HD11 LEU 66 HD11 LEU 66 4.118 3.837 -1.887 490 HD12 LEU 66 HD12 LEU 66 2.750 2.844 -2.341 491 HD13 LEU 66 HD13 LEU 66 2.528 4.168 -1.208 492 HD21 LEU 66 HD21 LEU 66 4.701 4.547 -4.124 493 HD22 LEU 66 HD22 LEU 66 3.493 5.215 -5.225 494 HD23 LEU 66 HD23 LEU 66 3.459 3.503 -4.815 495 H LYS 67 HN LYS 67 -0.616 4.384 -6.448 496 HA LYS 67 HA LYS 67 -3.011 5.213 -5.014 497 HB2 LYS 67 HB2 LYS 67 -3.937 4.932 -7.692 498 HB3 LYS 67 HB1 LYS 67 -3.924 6.370 -6.700 499 HG2 LYS 67 HG2 LYS 67 -2.917 6.935 -8.761 500 HG3 LYS 67 HG1 LYS 67 -1.609 6.828 -7.591 501 HD2 LYS 67 HD2 LYS 67 -1.093 4.569 -8.420 502 HD3 LYS 67 HD1 LYS 67 -2.381 4.732 -9.614 503 HE2 LYS 67 HE2 LYS 67 -1.236 6.608 -10.642 504 HE3 LYS 67 HE1 LYS 67 0.012 6.554 -9.398 505 HZ1 LYS 67 HZ1 LYS 67 0.628 4.351 -10.174 506 HZ2 LYS 67 HZ2 LYS 67 0.793 5.485 -11.397 507 HZ3 LYS 67 HZ3 LYS 67 -0.522 4.415 -11.415 508 H THR 68 HN THR 68 -1.433 2.790 -6.941 509 HA THR 68 HA THR 68 -3.537 0.940 -6.133 510 HB THR 68 HB THR 68 -2.873 -0.490 -7.899 511 HG1 THR 68 HG1 THR 68 -0.812 1.386 -8.505 512 HG21 THR 68 HG21 THR 68 -4.313 1.344 -8.648 513 HG22 THR 68 HG22 THR 68 -3.200 0.875 -9.932 514 HG23 THR 68 HG23 THR 68 -2.895 2.336 -8.989 515 H VAL 69 HN VAL 69 -2.558 -1.316 -5.739 516 HA VAL 69 HA VAL 69 -0.358 -0.885 -4.006 517 HB VAL 69 HB VAL 69 -1.311 -2.482 -2.814 518 HG11 VAL 69 HG11 VAL 69 -3.350 -2.062 -3.929 519 HG12 VAL 69 HG12 VAL 69 -3.252 -3.795 -3.558 520 HG13 VAL 69 HG13 VAL 69 -2.957 -3.210 -5.198 521 HG21 VAL 69 HG21 VAL 69 0.422 -3.972 -3.677 522 HG22 VAL 69 HG22 VAL 69 -0.614 -4.438 -5.025 523 HG23 VAL 69 HG23 VAL 69 -1.058 -4.886 -3.374 524 H GLY 70 HN GLY 70 -0.745 -1.442 -7.144 525 HA2 GLY 70 HA2 GLY 70 1.599 -3.033 -7.657 526 HA3 GLY 70 HA1 GLY 70 0.755 -2.019 -8.831 527 H ASP 71 HN ASP 71 0.817 0.364 -7.436 528 HA ASP 71 HA ASP 71 3.405 1.426 -7.991 529 HB2 ASP 71 HB2 ASP 71 1.240 2.577 -6.232 530 HB3 ASP 71 HB1 ASP 71 2.598 3.460 -6.879 531 H ALA 72 HN ALA 72 1.575 0.864 -5.054 532 HA ALA 72 HA ALA 72 3.374 1.775 -3.121 533 HB1 ALA 72 HB1 ALA 72 1.016 1.035 -2.659 534 HB2 ALA 72 HB2 ALA 72 2.225 0.357 -1.552 535 HB3 ALA 72 HB3 ALA 72 1.586 -0.634 -2.833 536 H THR 73 HN THR 73 2.869 -1.514 -4.023 537 HA THR 73 HA THR 73 4.827 -2.553 -2.556 538 HB THR 73 HB THR 73 3.870 -3.594 -5.197 539 HG1 THR 73 HG1 THR 73 2.099 -3.492 -4.028 540 HG21 THR 73 HG21 THR 73 5.029 -4.870 -2.780 541 HG22 THR 73 HG22 THR 73 5.858 -4.626 -4.320 542 HG23 THR 73 HG23 THR 73 4.460 -5.739 -4.223 543 H LYS 74 HN LYS 74 5.086 -1.550 -5.967 544 HA LYS 74 HA LYS 74 7.717 -2.433 -6.371 545 HB2 LYS 74 HB2 LYS 74 5.666 -0.927 -7.659 546 HB3 LYS 74 HB1 LYS 74 7.289 -0.499 -8.219 547 HG2 LYS 74 HG2 LYS 74 6.364 -2.226 -9.673 548 HG3 LYS 74 HG1 LYS 74 7.696 -2.876 -8.716 549 HD2 LYS 74 HD2 LYS 74 6.080 -3.882 -7.173 550 HD3 LYS 74 HD1 LYS 74 4.753 -3.238 -8.142 551 HE2 LYS 74 HE2 LYS 74 6.844 -5.234 -9.046 552 HE3 LYS 74 HE1 LYS 74 5.171 -5.603 -8.652 553 HZ1 LYS 74 HZ1 LYS 74 5.362 -5.473 -10.988 554 HZ2 LYS 74 HZ2 LYS 74 6.165 -3.987 -10.940 555 HZ3 LYS 74 HZ3 LYS 74 4.531 -4.080 -10.503 556 H TYR 75 HN TYR 75 6.274 0.469 -5.186 557 HA TYR 75 HA TYR 75 8.610 2.015 -5.315 558 HB2 TYR 75 HB2 TYR 75 6.257 2.879 -5.007 559 HB3 TYR 75 HB1 TYR 75 6.310 2.204 -3.416 560 HD1 TYR 75 HD1 TYR 75 8.195 4.679 -5.459 561 HD2 TYR 75 HD2 TYR 75 7.112 3.277 -1.618 562 HE1 TYR 75 HE1 TYR 75 9.337 6.595 -4.441 563 HE2 TYR 75 HE2 TYR 75 8.213 5.144 -0.591 564 HH TYR 75 HH TYR 75 9.280 7.876 -2.316 565 H ILE 76 HN ILE 76 6.988 0.227 -2.799 566 HA ILE 76 HA ILE 76 8.657 0.674 -0.667 567 HB ILE 76 HB ILE 76 6.909 -1.712 -1.296 568 HG12 ILE 76 HG12 ILE 76 6.392 0.474 0.663 569 HG13 ILE 76 HG11 ILE 76 6.029 0.676 -1.050 570 HG21 ILE 76 HG21 ILE 76 8.561 -2.345 0.392 571 HG22 ILE 76 HG22 ILE 76 6.956 -2.199 1.107 572 HG23 ILE 76 HG23 ILE 76 8.146 -0.922 1.346 573 HD11 ILE 76 HD11 ILE 76 4.959 -1.507 0.729 574 HD12 ILE 76 HD12 ILE 76 4.622 -1.244 -0.993 575 HD13 ILE 76 HD13 ILE 76 4.066 -0.060 0.195 576 H LEU 77 HN LEU 77 8.474 -2.358 -2.588 577 HA LEU 77 HA LEU 77 10.513 -3.821 -1.525 578 HB2 LEU 77 HB2 LEU 77 8.724 -4.428 -3.145 579 HB3 LEU 77 HB1 LEU 77 9.651 -3.662 -4.397 580 HG LEU 77 HG LEU 77 10.440 -6.165 -2.887 581 HD11 LEU 77 HD11 LEU 77 9.369 -5.611 -5.598 582 HD12 LEU 77 HD12 LEU 77 8.519 -6.388 -4.255 583 HD13 LEU 77 HD13 LEU 77 9.898 -7.206 -5.033 584 HD21 LEU 77 HD21 LEU 77 12.154 -6.453 -4.613 585 HD22 LEU 77 HD22 LEU 77 12.431 -4.933 -3.763 586 HD23 LEU 77 HD23 LEU 77 11.686 -4.925 -5.363 587 H ASP 78 HN ASP 78 10.538 -1.630 -4.174 588 HA ASP 78 HA ASP 78 13.180 -2.270 -5.050 589 HB2 ASP 78 HB2 ASP 78 11.719 -1.712 -6.719 590 HB3 ASP 78 HB1 ASP 78 11.084 -0.288 -5.946 591 H HIS 79 HN HIS 79 11.843 0.020 -2.921 592 HA HIS 79 HA HIS 79 14.337 1.499 -2.795 593 HB2 HIS 79 HB2 HIS 79 11.621 1.965 -1.638 594 HB3 HIS 79 HB1 HIS 79 13.012 2.792 -0.940 595 HD1 HIS 79 HD1 HIS 79 12.451 5.127 -1.695 596 HD2 HIS 79 HD2 HIS 79 12.351 2.392 -4.818 597 HE1 HIS 79 HE1 HIS 79 12.223 6.498 -3.783 598 HE2 HIS 79 HE2 HIS 79 11.790 4.800 -5.573 599 H GLN 80 HN GLN 80 12.767 -1.088 -1.115 600 HA GLN 80 HA GLN 80 14.454 -0.665 1.235 601 HB2 GLN 80 HB2 GLN 80 13.409 -2.906 1.918 602 HB3 GLN 80 HB1 GLN 80 12.454 -1.427 2.160 603 HG2 GLN 80 HG2 GLN 80 11.025 -2.037 0.567 604 HG3 GLN 80 HG1 GLN 80 12.130 -3.128 -0.330 605 HE21 GLN 80 HE21 GLN 80 9.646 -2.718 1.714 606 HE22 GLN 80 HE22 GLN 80 9.495 -4.320 2.377 607 H ALA 81 HN ALA 81 13.890 -3.064 -0.955 608 HA ALA 81 HA ALA 81 16.342 -4.434 -0.150 609 HB1 ALA 81 HB1 ALA 81 15.386 -6.477 -1.107 610 HB2 ALA 81 HB2 ALA 81 13.963 -5.565 -1.616 611 HB3 ALA 81 HB3 ALA 81 14.317 -5.759 0.101 612 H1 SYO 101 H1A SYO 101 -3.707 7.248 0.452 613 H1A SYO 101 H1B SYO 101 -2.042 6.816 0.878 614 H2 SYO 101 H2A SYO 101 -1.360 7.421 -1.309 615 H2A SYO 101 H2B SYO 101 -3.011 7.875 -1.799 616 H4 SYO 101 H4A SYO 101 -0.640 5.479 -1.305 617 H4A SYO 101 H4B SYO 101 -1.440 4.656 -2.632 618 H5 SYO 101 H5A SYO 101 -2.286 2.976 -1.210 619 H5A SYO 101 H5B SYO 101 -2.111 3.997 0.222 620 H6 SYO 101 H6A SYO 101 0.347 3.852 -0.032 621 H6A SYO 101 H6B SYO 101 0.115 2.733 -1.378 622 H7 SYO 101 H7A SYO 101 -0.953 1.127 0.076 623 H7A SYO 101 H7B SYO 101 -0.844 2.259 1.440 624 H8 SYO 101 H8C SYO 101 0.953 0.597 1.491 625 H8A SYO 101 H8A SYO 101 1.593 2.221 1.243 626 H8B SYO 101 H8B SYO 101 1.466 1.105 -0.118 627 H28 SYO 101 H28A SYO 101 -7.979 12.425 -1.032 628 H28A SYO 101 H28B SYO 101 -6.904 11.216 -1.725 629 H30 SYO 101 H30A SYO 101 -9.937 13.164 -3.874 630 H30A SYO 101 H30B SYO 101 -9.081 13.794 -2.453 631 H30B SYO 101 H30C SYO 101 -10.305 12.535 -2.264 632 H31 SYO 101 H31A SYO 101 -6.932 13.267 -3.426 633 H31A SYO 101 H31B SYO 101 -7.653 12.553 -4.889 634 H31B SYO 101 H31C SYO 101 -6.569 11.595 -3.859 635 H32 SYO 101 H32A SYO 101 -9.799 10.079 -3.140 636 HO33 SYO 101 H33A SYO 101 -8.971 10.827 -5.673 637 HN36 SYO 101 H36A SYO 101 -7.629 9.440 -2.264 638 H37 SYO 101 H37A SYO 101 -6.076 7.673 -2.207 639 H37A SYO 101 H37B SYO 101 -6.785 7.120 -3.711 640 H38 SYO 101 H38A SYO 101 -4.420 7.571 -3.954 641 H38A SYO 101 H38B SYO 101 -5.360 8.640 -5.018 642 HN41 SYO 101 H41A SYO 101 -4.712 8.780 -1.641 643 H42 SYO 101 H42A SYO 101 -2.626 10.699 -1.593 644 H42A SYO 101 H42B SYO 101 -4.198 11.408 -1.371 645 H43 SYO 101 H43A SYO 101 -4.644 9.583 0.331 646 H43A SYO 101 H43B SYO 101 -3.767 11.043 0.753 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 11.320 -6.917 4.710 2 H2 ALA 1 HT2 ALA 1 11.906 -5.513 5.435 3 H3 ALA 1 HT3 ALA 1 12.876 -6.905 5.334 4 HA ALA 1 HA ALA 1 11.893 -5.405 2.994 5 HB1 ALA 1 HB1 ALA 1 13.618 -4.149 4.214 6 HB2 ALA 1 HB2 ALA 1 14.211 -4.735 2.660 7 HB3 ALA 1 HB3 ALA 1 14.681 -5.556 4.148 8 H ALA 2 HN ALA 2 11.164 -7.279 2.056 9 HA ALA 2 HA ALA 2 13.325 -9.106 1.271 10 HB1 ALA 2 HB1 ALA 2 10.440 -9.876 1.717 11 HB2 ALA 2 HB2 ALA 2 11.778 -10.240 2.805 12 HB3 ALA 2 HB3 ALA 2 11.734 -10.952 1.192 13 H THR 3 HN THR 3 9.948 -8.652 0.212 14 HA THR 3 HA THR 3 10.493 -7.409 -2.220 15 HB THR 3 HB THR 3 11.649 -9.568 -2.754 16 HG1 THR 3 HG1 THR 3 10.124 -10.061 -4.646 17 HG21 THR 3 HG21 THR 3 8.912 -10.788 -2.376 18 HG22 THR 3 HG22 THR 3 10.319 -11.069 -1.356 19 HG23 THR 3 HG23 THR 3 10.321 -11.627 -3.033 20 H GLN 4 HN GLN 4 8.575 -8.298 -3.711 21 HA GLN 4 HA GLN 4 6.276 -7.080 -2.750 22 HB2 GLN 4 HB2 GLN 4 6.606 -7.351 -5.116 23 HB3 GLN 4 HB1 GLN 4 6.516 -9.098 -4.981 24 HG2 GLN 4 HG2 GLN 4 4.153 -7.703 -3.990 25 HG3 GLN 4 HG1 GLN 4 4.466 -7.430 -5.695 26 HE21 GLN 4 HE21 GLN 4 3.567 -9.761 -3.262 27 HE22 GLN 4 HE22 GLN 4 3.173 -11.027 -4.333 28 H GLU 5 HN GLU 5 6.976 -10.543 -2.672 29 HA GLU 5 HA GLU 5 4.532 -11.406 -1.637 30 HB2 GLU 5 HB2 GLU 5 7.299 -12.531 -1.351 31 HB3 GLU 5 HB1 GLU 5 5.872 -13.346 -0.723 32 HG2 GLU 5 HG2 GLU 5 6.247 -12.559 -3.597 33 HG3 GLU 5 HG1 GLU 5 6.620 -14.153 -2.941 34 H GLU 6 HN GLU 6 7.083 -9.790 -0.025 35 HA GLU 6 HA GLU 6 6.117 -10.329 2.642 36 HB2 GLU 6 HB2 GLU 6 8.484 -9.862 2.350 37 HB3 GLU 6 HB1 GLU 6 8.120 -8.396 1.469 38 HG2 GLU 6 HG2 GLU 6 7.166 -7.429 3.515 39 HG3 GLU 6 HG1 GLU 6 7.669 -8.871 4.402 40 H ILE 7 HN ILE 7 5.861 -7.888 0.180 41 HA ILE 7 HA ILE 7 4.843 -5.834 1.874 42 HB ILE 7 HB ILE 7 5.034 -6.085 -1.120 43 HG12 ILE 7 HG12 ILE 7 6.806 -4.620 0.821 44 HG13 ILE 7 HG11 ILE 7 7.132 -6.254 0.262 45 HG21 ILE 7 HG21 ILE 7 4.572 -3.667 0.635 46 HG22 ILE 7 HG22 ILE 7 3.381 -4.408 -0.434 47 HG23 ILE 7 HG23 ILE 7 4.817 -3.641 -1.112 48 HD11 ILE 7 HD11 ILE 7 6.911 -3.814 -1.471 49 HD12 ILE 7 HD12 ILE 7 7.311 -5.447 -2.016 50 HD13 ILE 7 HD13 ILE 7 8.405 -4.573 -0.934 51 H VAL 8 HN VAL 8 3.444 -7.316 -1.038 52 HA VAL 8 HA VAL 8 0.854 -6.370 -0.561 53 HB VAL 8 HB VAL 8 1.679 -8.771 -2.221 54 HG11 VAL 8 HG11 VAL 8 -0.382 -8.383 -3.472 55 HG12 VAL 8 HG12 VAL 8 -0.822 -7.094 -2.352 56 HG13 VAL 8 HG13 VAL 8 -0.722 -8.759 -1.785 57 HG21 VAL 8 HG21 VAL 8 2.848 -6.765 -2.871 58 HG22 VAL 8 HG22 VAL 8 1.331 -5.884 -2.966 59 HG23 VAL 8 HG23 VAL 8 1.655 -7.203 -4.095 60 H ALA 9 HN ALA 9 2.183 -9.477 0.330 61 HA ALA 9 HA ALA 9 -0.140 -10.547 1.394 62 HB1 ALA 9 HB1 ALA 9 1.313 -11.937 2.790 63 HB2 ALA 9 HB2 ALA 9 2.682 -10.879 2.418 64 HB3 ALA 9 HB3 ALA 9 1.922 -11.821 1.140 65 H GLY 10 HN GLY 10 2.095 -8.154 2.883 66 HA2 GLY 10 HA2 GLY 10 0.639 -8.358 5.273 67 HA3 GLY 10 HA1 GLY 10 2.061 -7.345 5.009 68 H LEU 11 HN LEU 11 1.026 -6.169 2.646 69 HA LEU 11 HA LEU 11 -0.232 -3.953 3.755 70 HB2 LEU 11 HB2 LEU 11 1.079 -4.604 1.430 71 HB3 LEU 11 HB1 LEU 11 -0.560 -4.400 0.896 72 HG LEU 11 HG LEU 11 1.084 -2.312 2.344 73 HD11 LEU 11 HD11 LEU 11 0.200 -2.505 -0.529 74 HD12 LEU 11 HD12 LEU 11 1.844 -2.702 0.079 75 HD13 LEU 11 HD13 LEU 11 1.037 -1.139 0.207 76 HD21 LEU 11 HD21 LEU 11 -1.262 -2.102 2.888 77 HD22 LEU 11 HD22 LEU 11 -1.689 -2.160 1.183 78 HD23 LEU 11 HD23 LEU 11 -0.762 -0.795 1.814 79 H ALA 12 HN ALA 12 -1.399 -6.728 1.862 80 HA ALA 12 HA ALA 12 -4.074 -6.050 1.514 81 HB1 ALA 12 HB1 ALA 12 -3.122 -8.067 0.534 82 HB2 ALA 12 HB2 ALA 12 -4.517 -8.469 1.559 83 HB3 ALA 12 HB3 ALA 12 -2.882 -8.752 2.143 84 H GLU 13 HN GLU 13 -2.487 -7.626 4.237 85 HA GLU 13 HA GLU 13 -4.808 -7.951 5.749 86 HB2 GLU 13 HB2 GLU 13 -1.933 -7.875 6.615 87 HB3 GLU 13 HB1 GLU 13 -3.274 -8.369 7.648 88 HG2 GLU 13 HG2 GLU 13 -3.821 -10.149 6.142 89 HG3 GLU 13 HG1 GLU 13 -2.534 -9.664 5.046 90 H ILE 14 HN ILE 14 -2.429 -5.425 5.732 91 HA ILE 14 HA ILE 14 -3.470 -3.876 7.846 92 HB ILE 14 HB ILE 14 -2.170 -2.878 5.287 93 HG12 ILE 14 HG12 ILE 14 -0.841 -3.369 7.940 94 HG13 ILE 14 HG11 ILE 14 -0.975 -4.632 6.727 95 HG21 ILE 14 HG21 ILE 14 -1.548 -0.936 6.645 96 HG22 ILE 14 HG22 ILE 14 -2.438 -1.603 8.014 97 HG23 ILE 14 HG23 ILE 14 -3.301 -1.113 6.555 98 HD11 ILE 14 HD11 ILE 14 1.161 -3.537 6.650 99 HD12 ILE 14 HD12 ILE 14 0.359 -1.984 6.330 100 HD13 ILE 14 HD13 ILE 14 0.229 -3.321 5.172 101 H VAL 15 HN VAL 15 -4.400 -4.093 4.460 102 HA VAL 15 HA VAL 15 -6.120 -1.854 4.454 103 HB VAL 15 HB VAL 15 -6.125 -4.237 2.545 104 HG11 VAL 15 HG11 VAL 15 -7.184 -2.721 0.971 105 HG12 VAL 15 HG12 VAL 15 -7.238 -1.464 2.212 106 HG13 VAL 15 HG13 VAL 15 -8.174 -2.947 2.411 107 HG21 VAL 15 HG21 VAL 15 -4.803 -1.567 2.306 108 HG22 VAL 15 HG22 VAL 15 -4.816 -2.857 1.088 109 HG23 VAL 15 HG23 VAL 15 -4.005 -3.108 2.647 110 H ASN 16 HN ASN 16 -6.362 -5.089 5.450 111 HA ASN 16 HA ASN 16 -9.260 -5.414 5.325 112 HB2 ASN 16 HB2 ASN 16 -7.484 -7.114 7.124 113 HB3 ASN 16 HB1 ASN 16 -9.013 -7.490 6.383 114 HD21 ASN 16 HD21 ASN 16 -8.442 -6.834 3.784 115 HD22 ASN 16 HD22 ASN 16 -7.158 -7.909 3.262 116 H GLU 17 HN GLU 17 -6.804 -4.606 7.637 117 HA GLU 17 HA GLU 17 -8.452 -4.582 9.952 118 HB2 GLU 17 HB2 GLU 17 -5.766 -3.311 9.467 119 HB3 GLU 17 HB1 GLU 17 -6.515 -3.590 11.035 120 HG2 GLU 17 HG2 GLU 17 -5.709 -5.703 9.069 121 HG3 GLU 17 HG1 GLU 17 -4.801 -5.256 10.526 122 H ILE 18 HN ILE 18 -6.898 -2.036 8.076 123 HA ILE 18 HA ILE 18 -7.962 0.149 9.507 124 HB ILE 18 HB ILE 18 -7.024 0.050 6.630 125 HG12 ILE 18 HG12 ILE 18 -5.427 -0.805 8.385 126 HG13 ILE 18 HG11 ILE 18 -4.805 0.488 7.389 127 HG21 ILE 18 HG21 ILE 18 -6.547 2.436 6.937 128 HG22 ILE 18 HG22 ILE 18 -7.252 2.362 8.552 129 HG23 ILE 18 HG23 ILE 18 -8.261 2.076 7.133 130 HD11 ILE 18 HD11 ILE 18 -5.830 0.636 10.235 131 HD12 ILE 18 HD12 ILE 18 -5.307 2.034 9.291 132 HD13 ILE 18 HD13 ILE 18 -4.151 0.766 9.699 133 H ALA 19 HN ALA 19 -8.939 -1.230 6.349 134 HA ALA 19 HA ALA 19 -11.419 0.311 6.591 135 HB1 ALA 19 HB1 ALA 19 -10.138 0.747 4.535 136 HB2 ALA 19 HB2 ALA 19 -11.707 0.025 4.178 137 HB3 ALA 19 HB3 ALA 19 -10.248 -0.961 4.108 138 H GLY 20 HN GLY 20 -10.881 -2.573 4.712 139 HA2 GLY 20 HA2 GLY 20 -11.816 -4.545 6.363 140 HA3 GLY 20 HA1 GLY 20 -13.277 -3.770 5.788 141 H ILE 21 HN ILE 21 -10.260 -4.398 4.168 142 HA ILE 21 HA ILE 21 -11.701 -5.548 1.981 143 HB ILE 21 HB ILE 21 -8.930 -4.648 2.448 144 HG12 ILE 21 HG12 ILE 21 -9.156 -3.760 0.154 145 HG13 ILE 21 HG11 ILE 21 -10.703 -4.576 0.005 146 HG21 ILE 21 HG21 ILE 21 -7.929 -5.807 0.533 147 HG22 ILE 21 HG22 ILE 21 -9.346 -6.857 0.451 148 HG23 ILE 21 HG23 ILE 21 -8.308 -6.876 1.875 149 HD11 ILE 21 HD11 ILE 21 -10.037 -2.366 1.940 150 HD12 ILE 21 HD12 ILE 21 -11.592 -3.185 1.815 151 HD13 ILE 21 HD13 ILE 21 -10.997 -2.217 0.467 152 HA PRO 22 HA PRO 22 -11.468 -9.770 3.266 153 HB2 PRO 22 HB2 PRO 22 -11.549 -10.443 0.452 154 HB3 PRO 22 HB1 PRO 22 -12.832 -10.694 1.685 155 HG2 PRO 22 HG2 PRO 22 -13.004 -8.906 -0.327 156 HG3 PRO 22 HG1 PRO 22 -13.694 -8.533 1.283 157 HD2 PRO 22 HD2 PRO 22 -11.108 -7.724 0.004 158 HD3 PRO 22 HD1 PRO 22 -12.272 -6.724 0.897 159 H VAL 23 HN VAL 23 -8.861 -8.538 2.307 160 HA VAL 23 HA VAL 23 -6.700 -9.069 1.831 161 HB VAL 23 HB VAL 23 -7.143 -10.185 4.057 162 HG11 VAL 23 HG11 VAL 23 -7.100 -12.755 2.527 163 HG12 VAL 23 HG12 VAL 23 -8.431 -12.082 3.468 164 HG13 VAL 23 HG13 VAL 23 -6.955 -12.605 4.280 165 HG21 VAL 23 HG21 VAL 23 -4.838 -11.257 2.445 166 HG22 VAL 23 HG22 VAL 23 -4.955 -11.309 4.204 167 HG23 VAL 23 HG23 VAL 23 -4.880 -9.756 3.371 168 H GLU 24 HN GLU 24 -8.621 -10.012 -0.308 169 HA GLU 24 HA GLU 24 -6.634 -11.779 -1.600 170 HB2 GLU 24 HB2 GLU 24 -8.497 -12.904 -2.759 171 HB3 GLU 24 HB1 GLU 24 -8.601 -13.033 -1.000 172 HG2 GLU 24 HG2 GLU 24 -10.312 -11.423 -0.877 173 HG3 GLU 24 HG1 GLU 24 -10.099 -10.967 -2.561 174 H ASP 25 HN ASP 25 -8.318 -8.909 -1.692 175 HA ASP 25 HA ASP 25 -8.532 -8.677 -4.586 176 HB2 ASP 25 HB2 ASP 25 -9.235 -6.672 -2.446 177 HB3 ASP 25 HB1 ASP 25 -9.777 -6.679 -4.124 178 H VAL 26 HN VAL 26 -6.649 -7.682 -1.971 179 HA VAL 26 HA VAL 26 -5.435 -5.363 -3.197 180 HB VAL 26 HB VAL 26 -4.299 -7.008 -0.906 181 HG11 VAL 26 HG11 VAL 26 -3.164 -4.912 -0.270 182 HG12 VAL 26 HG12 VAL 26 -3.810 -4.148 -1.731 183 HG13 VAL 26 HG13 VAL 26 -2.668 -5.469 -1.872 184 HG21 VAL 26 HG21 VAL 26 -5.372 -5.401 0.588 185 HG22 VAL 26 HG22 VAL 26 -6.554 -6.292 -0.371 186 HG23 VAL 26 HG23 VAL 26 -6.141 -4.631 -0.798 187 H LYS 27 HN LYS 27 -4.706 -5.967 -5.197 188 HA LYS 27 HA LYS 27 -2.347 -7.704 -5.267 189 HB2 LYS 27 HB2 LYS 27 -4.584 -7.464 -7.285 190 HB3 LYS 27 HB1 LYS 27 -3.108 -8.374 -7.534 191 HG2 LYS 27 HG2 LYS 27 -5.134 -8.928 -5.388 192 HG3 LYS 27 HG1 LYS 27 -5.092 -9.741 -6.957 193 HD2 LYS 27 HD2 LYS 27 -2.870 -10.626 -6.432 194 HD3 LYS 27 HD1 LYS 27 -2.893 -9.780 -4.883 195 HE2 LYS 27 HE2 LYS 27 -3.468 -12.143 -4.609 196 HE3 LYS 27 HE1 LYS 27 -4.816 -11.098 -4.173 197 HZ1 LYS 27 HZ1 LYS 27 -5.622 -12.927 -5.452 198 HZ2 LYS 27 HZ2 LYS 27 -4.508 -12.644 -6.692 199 HZ3 LYS 27 HZ3 LYS 27 -5.750 -11.552 -6.432 200 H LEU 28 HN LEU 28 -1.158 -7.133 -7.338 201 HA LEU 28 HA LEU 28 -0.729 -4.354 -7.359 202 HB2 LEU 28 HB2 LEU 28 0.271 -6.577 -9.141 203 HB3 LEU 28 HB1 LEU 28 0.648 -4.907 -9.492 204 HG LEU 28 HG LEU 28 1.877 -4.749 -7.311 205 HD11 LEU 28 HD11 LEU 28 0.671 -6.331 -6.036 206 HD12 LEU 28 HD12 LEU 28 2.399 -6.680 -6.037 207 HD13 LEU 28 HD13 LEU 28 1.297 -7.656 -7.023 208 HD21 LEU 28 HD21 LEU 28 3.078 -5.310 -9.345 209 HD22 LEU 28 HD22 LEU 28 2.748 -7.021 -9.072 210 HD23 LEU 28 HD23 LEU 28 3.765 -6.127 -7.942 211 H ASP 29 HN ASP 29 -1.116 -2.880 -9.010 212 HA ASP 29 HA ASP 29 -2.232 -1.812 -10.676 213 HB2 ASP 29 HB2 ASP 29 -2.094 -3.901 -12.070 214 HB3 ASP 29 HB1 ASP 29 -3.540 -4.449 -11.241 215 H LYS 30 HN LYS 30 -3.443 -3.096 -7.965 216 HA LYS 30 HA LYS 30 -6.195 -2.256 -8.498 217 HB2 LYS 30 HB2 LYS 30 -5.205 -3.563 -5.996 218 HB3 LYS 30 HB1 LYS 30 -6.803 -3.021 -6.573 219 HG2 LYS 30 HG2 LYS 30 -5.254 -5.193 -7.988 220 HG3 LYS 30 HG1 LYS 30 -6.352 -5.499 -6.631 221 HD2 LYS 30 HD2 LYS 30 -7.748 -5.810 -8.518 222 HD3 LYS 30 HD1 LYS 30 -8.024 -4.157 -7.939 223 HE2 LYS 30 HE2 LYS 30 -6.537 -3.286 -9.643 224 HE3 LYS 30 HE1 LYS 30 -6.326 -4.917 -10.285 225 HZ1 LYS 30 HZ1 LYS 30 -8.038 -3.609 -11.465 226 HZ2 LYS 30 HZ2 LYS 30 -8.940 -3.559 -10.022 227 HZ3 LYS 30 HZ3 LYS 30 -8.637 -5.035 -10.765 228 H SER 31 HN SER 31 -6.750 -0.557 -7.908 229 HA SER 31 HA SER 31 -5.188 1.281 -6.306 230 HB2 SER 31 HB2 SER 31 -7.969 1.558 -7.412 231 HB3 SER 31 HB1 SER 31 -6.948 2.891 -6.842 232 HG SER 31 HG SER 31 -6.646 1.219 -9.104 233 H PHE 32 HN PHE 32 -5.281 1.124 -4.146 234 HA PHE 32 HA PHE 32 -6.874 -0.480 -2.649 235 HB2 PHE 32 HB2 PHE 32 -5.604 2.099 -1.804 236 HB3 PHE 32 HB1 PHE 32 -6.172 0.840 -0.734 237 HD1 PHE 32 HD1 PHE 32 -3.572 1.878 -3.058 238 HD2 PHE 32 HD2 PHE 32 -4.867 -1.168 -0.394 239 HE1 PHE 32 HE1 PHE 32 -1.319 0.935 -3.047 240 HE2 PHE 32 HE2 PHE 32 -2.631 -2.122 -0.394 241 HZ PHE 32 HZ PHE 32 -0.837 -1.072 -1.709 242 H THR 33 HN THR 33 -7.325 2.967 -3.181 243 HA THR 33 HA THR 33 -9.767 2.878 -1.660 244 HB THR 33 HB THR 33 -8.388 4.888 -1.457 245 HG1 THR 33 HG1 THR 33 -10.708 5.074 -1.252 246 HG21 THR 33 HG21 THR 33 -8.207 6.512 -3.289 247 HG22 THR 33 HG22 THR 33 -9.040 5.386 -4.360 248 HG23 THR 33 HG23 THR 33 -7.454 4.974 -3.708 249 H ASP 34 HN ASP 34 -8.947 3.239 -5.063 250 HA ASP 34 HA ASP 34 -11.632 3.693 -5.925 251 HB2 ASP 34 HB2 ASP 34 -9.813 4.592 -7.206 252 HB3 ASP 34 HB1 ASP 34 -9.135 3.003 -7.450 253 H ASP 35 HN ASP 35 -9.486 0.883 -6.162 254 HA ASP 35 HA ASP 35 -11.529 -0.723 -7.478 255 HB2 ASP 35 HB2 ASP 35 -8.877 -0.970 -7.771 256 HB3 ASP 35 HB1 ASP 35 -9.020 -1.751 -6.241 257 H LEU 36 HN LEU 36 -9.597 -0.825 -4.588 258 HA LEU 36 HA LEU 36 -10.826 -3.159 -3.559 259 HB2 LEU 36 HB2 LEU 36 -9.043 -1.190 -2.230 260 HB3 LEU 36 HB1 LEU 36 -9.295 -2.820 -1.706 261 HG LEU 36 HG LEU 36 -7.826 -1.841 -4.082 262 HD11 LEU 36 HD11 LEU 36 -6.739 -1.825 -1.967 263 HD12 LEU 36 HD12 LEU 36 -6.053 -3.176 -2.922 264 HD13 LEU 36 HD13 LEU 36 -7.282 -3.462 -1.655 265 HD21 LEU 36 HD21 LEU 36 -8.567 -4.679 -3.410 266 HD22 LEU 36 HD22 LEU 36 -7.440 -4.148 -4.677 267 HD23 LEU 36 HD23 LEU 36 -9.152 -3.720 -4.779 268 H ASP 37 HN ASP 37 -11.077 0.289 -2.875 269 HA ASP 37 HA ASP 37 -12.773 1.455 -2.141 270 HB2 ASP 37 HB2 ASP 37 -14.406 -0.184 -2.849 271 HB3 ASP 37 HB1 ASP 37 -13.976 -1.151 -1.429 272 H VAL 38 HN VAL 38 -10.838 1.658 -0.999 273 HA VAL 38 HA VAL 38 -11.358 1.432 1.887 274 HB VAL 38 HB VAL 38 -8.876 2.433 0.468 275 HG11 VAL 38 HG11 VAL 38 -7.789 2.215 2.689 276 HG12 VAL 38 HG12 VAL 38 -9.334 1.734 3.393 277 HG13 VAL 38 HG13 VAL 38 -9.128 3.362 2.748 278 HG21 VAL 38 HG21 VAL 38 -9.279 0.115 0.057 279 HG22 VAL 38 HG22 VAL 38 -9.402 -0.215 1.792 280 HG23 VAL 38 HG23 VAL 38 -7.861 0.307 1.092 281 H ASP 39 HN ASP 39 -11.675 3.209 3.119 282 HA ASP 39 HA ASP 39 -13.175 5.348 2.225 283 HB2 ASP 39 HB2 ASP 39 -11.595 5.092 4.751 284 HB3 ASP 39 HB1 ASP 39 -12.833 6.304 4.468 285 H SER 40 HN SER 40 -10.068 5.317 1.358 286 HA SER 40 HA SER 40 -8.479 6.786 0.741 287 HB2 SER 40 HB2 SER 40 -10.056 7.921 -0.494 288 HB3 SER 40 HB1 SER 40 -10.722 8.753 0.941 289 H LEU 41 HN LEU 41 -10.190 8.401 3.382 290 HA LEU 41 HA LEU 41 -7.903 9.764 4.252 291 HB2 LEU 41 HB2 LEU 41 -9.171 10.254 6.318 292 HB3 LEU 41 HB1 LEU 41 -10.123 10.525 4.879 293 HG LEU 41 HG LEU 41 -11.061 8.118 5.428 294 HD11 LEU 41 HD11 LEU 41 -10.157 9.029 8.148 295 HD12 LEU 41 HD12 LEU 41 -9.576 7.613 7.272 296 HD13 LEU 41 HD13 LEU 41 -11.252 7.685 7.822 297 HD21 LEU 41 HD21 LEU 41 -12.857 9.145 6.729 298 HD22 LEU 41 HD22 LEU 41 -12.394 10.131 5.341 299 HD23 LEU 41 HD23 LEU 41 -11.857 10.581 6.961 300 H SER 42 HN SER 42 -9.163 6.617 4.898 301 HA SER 42 HA SER 42 -7.514 5.868 7.070 302 HB2 SER 42 HB2 SER 42 -8.796 4.048 5.091 303 HB3 SER 42 HB1 SER 42 -8.631 3.858 6.839 304 HG SER 42 HG SER 42 -10.684 4.562 6.736 305 H MET 43 HN MET 43 -6.974 6.263 3.718 306 HA MET 43 HA MET 43 -5.405 3.976 3.167 307 HB2 MET 43 HB2 MET 43 -5.711 6.581 1.713 308 HB3 MET 43 HB1 MET 43 -4.697 5.267 1.141 309 HG2 MET 43 HG2 MET 43 -7.561 4.751 1.760 310 HG3 MET 43 HG1 MET 43 -7.074 5.590 0.280 311 HE1 MET 43 HE1 MET 43 -4.468 2.982 1.543 312 HE2 MET 43 HE2 MET 43 -5.139 1.457 0.988 313 HE3 MET 43 HE3 MET 43 -5.894 2.316 2.338 314 H VAL 44 HN VAL 44 -4.678 7.266 4.066 315 HA VAL 44 HA VAL 44 -1.955 7.230 3.704 316 HB VAL 44 HB VAL 44 -3.447 8.604 5.971 317 HG11 VAL 44 HG11 VAL 44 -1.598 10.216 5.972 318 HG12 VAL 44 HG12 VAL 44 -0.761 9.257 4.752 319 HG13 VAL 44 HG13 VAL 44 -1.036 8.588 6.361 320 HG21 VAL 44 HG21 VAL 44 -2.765 9.581 3.200 321 HG22 VAL 44 HG22 VAL 44 -3.531 10.541 4.468 322 HG23 VAL 44 HG23 VAL 44 -4.370 9.142 3.784 323 H GLU 45 HN GLU 45 -3.888 6.093 6.433 324 HA GLU 45 HA GLU 45 -1.902 5.365 8.283 325 HB2 GLU 45 HB2 GLU 45 -4.445 3.830 7.811 326 HB3 GLU 45 HB1 GLU 45 -3.538 3.973 9.302 327 HG2 GLU 45 HG2 GLU 45 -5.133 6.121 7.950 328 HG3 GLU 45 HG1 GLU 45 -5.515 5.172 9.399 329 H VAL 46 HN VAL 46 -3.536 3.554 5.747 330 HA VAL 46 HA VAL 46 -2.362 1.062 6.179 331 HB VAL 46 HB VAL 46 -3.329 2.059 3.483 332 HG11 VAL 46 HG11 VAL 46 -3.294 -0.673 4.710 333 HG12 VAL 46 HG12 VAL 46 -2.333 -0.110 3.333 334 HG13 VAL 46 HG13 VAL 46 -4.093 -0.267 3.208 335 HG21 VAL 46 HG21 VAL 46 -5.039 2.639 5.070 336 HG22 VAL 46 HG22 VAL 46 -5.005 1.012 5.750 337 HG23 VAL 46 HG23 VAL 46 -5.568 1.271 4.099 338 H VAL 47 HN VAL 47 -1.153 3.863 4.726 339 HA VAL 47 HA VAL 47 0.889 2.635 3.012 340 HB VAL 47 HB VAL 47 0.793 5.507 3.965 341 HG11 VAL 47 HG11 VAL 47 2.091 4.239 1.569 342 HG12 VAL 47 HG12 VAL 47 2.904 4.827 3.017 343 HG13 VAL 47 HG13 VAL 47 2.087 5.962 1.941 344 HG21 VAL 47 HG21 VAL 47 -0.450 4.366 1.481 345 HG22 VAL 47 HG22 VAL 47 -0.318 6.081 1.875 346 HG23 VAL 47 HG23 VAL 47 -1.311 5.016 2.874 347 H VAL 48 HN VAL 48 0.802 4.659 5.890 348 HA VAL 48 HA VAL 48 3.509 4.391 6.540 349 HB VAL 48 HB VAL 48 1.162 4.899 8.405 350 HG11 VAL 48 HG11 VAL 48 3.179 4.266 9.624 351 HG12 VAL 48 HG12 VAL 48 2.811 5.973 9.873 352 HG13 VAL 48 HG13 VAL 48 4.102 5.502 8.766 353 HG21 VAL 48 HG21 VAL 48 1.226 6.519 6.591 354 HG22 VAL 48 HG22 VAL 48 2.925 6.843 6.913 355 HG23 VAL 48 HG23 VAL 48 1.702 7.283 8.108 356 H ALA 49 HN ALA 49 0.646 2.421 7.252 357 HA ALA 49 HA ALA 49 1.910 0.917 9.181 358 HB1 ALA 49 HB1 ALA 49 -0.491 1.112 9.106 359 HB2 ALA 49 HB2 ALA 49 -0.017 -0.583 8.996 360 HB3 ALA 49 HB3 ALA 49 -0.528 0.286 7.547 361 H ALA 50 HN ALA 50 1.585 0.777 5.743 362 HA ALA 50 HA ALA 50 2.499 -1.833 5.320 363 HB1 ALA 50 HB1 ALA 50 2.591 0.597 3.474 364 HB2 ALA 50 HB2 ALA 50 1.335 -0.615 3.518 365 HB3 ALA 50 HB3 ALA 50 2.931 -1.048 2.965 366 H GLU 51 HN GLU 51 4.207 1.291 5.125 367 HA GLU 51 HA GLU 51 6.624 -0.051 4.715 368 HB2 GLU 51 HB2 GLU 51 7.701 2.174 4.889 369 HB3 GLU 51 HB1 GLU 51 6.471 1.971 3.682 370 HG2 GLU 51 HG2 GLU 51 5.852 3.880 4.357 371 HG3 GLU 51 HG1 GLU 51 4.923 3.000 5.576 372 H GLU 52 HN GLU 52 5.217 1.116 7.652 373 HA GLU 52 HA GLU 52 7.379 0.735 9.401 374 HB2 GLU 52 HB2 GLU 52 4.411 0.312 9.715 375 HB3 GLU 52 HB1 GLU 52 5.519 -0.005 11.040 376 HG2 GLU 52 HG2 GLU 52 5.478 2.637 9.652 377 HG3 GLU 52 HG1 GLU 52 4.300 2.258 10.911 378 H ARG 53 HN ARG 53 5.284 -1.507 7.815 379 HA ARG 53 HA ARG 53 6.232 -3.808 9.287 380 HB2 ARG 53 HB2 ARG 53 3.867 -3.536 8.719 381 HB3 ARG 53 HB1 ARG 53 4.271 -3.532 7.016 382 HG2 ARG 53 HG2 ARG 53 5.036 -5.848 7.205 383 HG3 ARG 53 HG1 ARG 53 4.599 -5.840 8.918 384 HD2 ARG 53 HD2 ARG 53 2.241 -5.339 8.282 385 HD3 ARG 53 HD1 ARG 53 2.743 -5.360 6.607 386 HE ARG 53 HE ARG 53 3.445 -7.711 7.115 387 HH11 ARG 53 HH11 ARG 53 0.721 -6.117 8.761 388 HH12 ARG 53 HH12 ARG 53 -0.254 -7.512 8.813 389 HH21 ARG 53 HH21 ARG 53 2.077 -9.625 7.163 390 HH22 ARG 53 HH22 ARG 53 0.496 -9.550 7.758 391 H PHE 54 HN PHE 54 6.748 -2.297 6.136 392 HA PHE 54 HA PHE 54 8.213 -4.705 5.203 393 HB2 PHE 54 HB2 PHE 54 7.329 -2.421 3.456 394 HB3 PHE 54 HB1 PHE 54 7.870 -4.021 2.959 395 HD1 PHE 54 HD2 PHE 54 6.364 -5.699 4.821 396 HD2 PHE 54 HD1 PHE 54 5.234 -2.259 2.648 397 HE1 PHE 54 HE2 PHE 54 4.068 -6.391 4.966 398 HE2 PHE 54 HE1 PHE 54 2.917 -2.936 2.766 399 HZ PHE 54 HZ PHE 54 2.289 -5.004 3.915 400 H ASP 55 HN ASP 55 9.038 -2.313 6.781 401 HA ASP 55 HA ASP 55 11.181 -1.501 7.327 402 HB2 ASP 55 HB2 ASP 55 12.172 -3.583 6.445 403 HB3 ASP 55 HB1 ASP 55 12.115 -2.925 4.816 404 H VAL 56 HN VAL 56 9.803 -0.777 4.224 405 HA VAL 56 HA VAL 56 11.778 1.105 3.427 406 HB VAL 56 HB VAL 56 10.259 -0.242 1.908 407 HG11 VAL 56 HG11 VAL 56 8.054 0.594 1.429 408 HG12 VAL 56 HG12 VAL 56 8.200 1.718 2.782 409 HG13 VAL 56 HG13 VAL 56 8.220 -0.020 3.073 410 HG21 VAL 56 HG21 VAL 56 9.899 1.418 0.274 411 HG22 VAL 56 HG22 VAL 56 11.490 1.615 1.020 412 HG23 VAL 56 HG23 VAL 56 10.154 2.720 1.449 413 H LYS 57 HN LYS 57 11.068 3.437 2.969 414 HA LYS 57 HA LYS 57 9.266 4.430 5.065 415 HB2 LYS 57 HB2 LYS 57 11.636 4.989 5.566 416 HB3 LYS 57 HB1 LYS 57 11.765 5.765 3.995 417 HG2 LYS 57 HG2 LYS 57 11.511 7.368 5.862 418 HG3 LYS 57 HG1 LYS 57 10.235 7.496 4.652 419 HD2 LYS 57 HD2 LYS 57 9.327 7.649 6.923 420 HD3 LYS 57 HD1 LYS 57 8.726 6.223 6.084 421 HE2 LYS 57 HE2 LYS 57 9.245 5.585 8.329 422 HE3 LYS 57 HE1 LYS 57 10.477 4.888 7.280 423 HZ1 LYS 57 HZ1 LYS 57 11.938 6.769 7.898 424 HZ2 LYS 57 HZ2 LYS 57 11.493 5.827 9.214 425 HZ3 LYS 57 HZ3 LYS 57 10.720 7.316 8.943 426 H ILE 58 HN ILE 58 7.613 5.581 4.331 427 HA ILE 58 HA ILE 58 7.762 6.419 1.515 428 HB ILE 58 HB ILE 58 5.237 5.499 2.932 429 HG12 ILE 58 HG12 ILE 58 6.990 3.950 0.971 430 HG13 ILE 58 HG11 ILE 58 6.831 3.629 2.683 431 HG21 ILE 58 HG21 ILE 58 5.846 6.042 0.020 432 HG22 ILE 58 HG22 ILE 58 4.872 7.056 1.085 433 HG23 ILE 58 HG23 ILE 58 4.314 5.439 0.651 434 HD11 ILE 58 HD11 ILE 58 4.496 3.047 2.368 435 HD12 ILE 58 HD12 ILE 58 5.564 2.072 1.359 436 HD13 ILE 58 HD13 ILE 58 4.641 3.396 0.641 437 HA PRO 59 HA PRO 59 6.911 10.417 3.631 438 HB2 PRO 59 HB2 PRO 59 7.616 11.917 1.540 439 HB3 PRO 59 HB1 PRO 59 8.864 11.171 2.577 440 HG2 PRO 59 HG2 PRO 59 7.683 10.219 -0.001 441 HG3 PRO 59 HG1 PRO 59 9.418 10.394 0.403 442 HD2 PRO 59 HD2 PRO 59 8.210 8.024 0.531 443 HD3 PRO 59 HD1 PRO 59 9.357 8.506 1.805 444 H ASP 60 HN ASP 60 5.499 12.194 3.019 445 HA ASP 60 HA ASP 60 2.961 11.542 2.212 446 HB2 ASP 60 HB2 ASP 60 4.276 14.249 1.913 447 HB3 ASP 60 HB1 ASP 60 2.547 13.950 1.886 448 H ASP 61 HN ASP 61 5.499 13.007 0.233 449 HA ASP 61 HA ASP 61 3.996 13.302 -2.113 450 HB2 ASP 61 HB2 ASP 61 6.135 14.437 -1.776 451 HB3 ASP 61 HB1 ASP 61 6.971 12.889 -1.872 452 H ASP 62 HN ASP 62 5.762 10.544 -0.908 453 HA ASP 62 HA ASP 62 5.280 9.179 -3.407 454 HB2 ASP 62 HB2 ASP 62 6.783 8.299 -0.943 455 HB3 ASP 62 HB1 ASP 62 6.463 7.215 -2.295 456 H VAL 63 HN VAL 63 4.029 9.209 -0.169 457 HA VAL 63 HA VAL 63 2.317 7.027 -0.131 458 HB VAL 63 HB VAL 63 1.813 9.863 0.899 459 HG11 VAL 63 HG11 VAL 63 0.131 8.900 2.384 460 HG12 VAL 63 HG12 VAL 63 0.348 7.331 1.607 461 HG13 VAL 63 HG13 VAL 63 -0.299 8.688 0.687 462 HG21 VAL 63 HG21 VAL 63 2.420 8.950 3.085 463 HG22 VAL 63 HG22 VAL 63 3.741 8.796 1.927 464 HG23 VAL 63 HG23 VAL 63 2.757 7.390 2.336 465 H LYS 64 HN LYS 64 1.771 10.239 -1.414 466 HA LYS 64 HA LYS 64 -0.829 9.683 -2.486 467 HB2 LYS 64 HB2 LYS 64 -0.639 11.918 -3.537 468 HB3 LYS 64 HB1 LYS 64 -0.282 11.922 -1.811 469 HG2 LYS 64 HG2 LYS 64 2.117 11.845 -2.353 470 HG3 LYS 64 HG1 LYS 64 1.700 11.962 -4.056 471 HD2 LYS 64 HD2 LYS 64 0.992 13.993 -1.964 472 HD3 LYS 64 HD1 LYS 64 2.396 14.089 -3.015 473 HE2 LYS 64 HE2 LYS 64 0.865 14.019 -4.975 474 HE3 LYS 64 HE1 LYS 64 -0.498 14.113 -3.857 475 HZ1 LYS 64 HZ1 LYS 64 0.035 16.275 -4.679 476 HZ2 LYS 64 HZ2 LYS 64 1.654 16.133 -4.163 477 HZ3 LYS 64 HZ3 LYS 64 0.401 16.197 -3.032 478 H ASN 65 HN ASN 65 2.207 8.821 -3.673 479 HA ASN 65 HA ASN 65 1.464 8.963 -6.499 480 HB2 ASN 65 HB2 ASN 65 3.892 8.293 -4.985 481 HB3 ASN 65 HB1 ASN 65 3.665 7.460 -6.488 482 HD21 ASN 65 HD21 ASN 65 4.198 10.646 -5.100 483 HD22 ASN 65 HD22 ASN 65 4.645 11.390 -6.579 484 H LEU 66 HN LEU 66 1.510 6.824 -3.848 485 HA LEU 66 HA LEU 66 1.318 4.482 -5.467 486 HB2 LEU 66 HB2 LEU 66 0.771 4.746 -2.511 487 HB3 LEU 66 HB1 LEU 66 1.181 3.297 -3.395 488 HG LEU 66 HG LEU 66 2.995 5.566 -2.626 489 HD11 LEU 66 HD11 LEU 66 4.238 3.825 -1.435 490 HD12 LEU 66 HD12 LEU 66 3.043 2.642 -1.946 491 HD13 LEU 66 HD13 LEU 66 2.564 3.949 -0.880 492 HD21 LEU 66 HD21 LEU 66 3.579 4.913 -4.896 493 HD22 LEU 66 HD22 LEU 66 3.648 3.220 -4.409 494 HD23 LEU 66 HD23 LEU 66 4.816 4.372 -3.761 495 H LYS 67 HN LYS 67 -0.472 4.263 -6.459 496 HA LYS 67 HA LYS 67 -2.953 5.148 -5.127 497 HB2 LYS 67 HB2 LYS 67 -2.581 4.584 -8.069 498 HB3 LYS 67 HB1 LYS 67 -3.969 5.333 -7.293 499 HG2 LYS 67 HG2 LYS 67 -2.637 7.262 -6.707 500 HG3 LYS 67 HG1 LYS 67 -1.209 6.510 -7.427 501 HD2 LYS 67 HD2 LYS 67 -2.039 7.968 -9.081 502 HD3 LYS 67 HD1 LYS 67 -2.530 6.319 -9.514 503 HE2 LYS 67 HE2 LYS 67 -4.746 6.694 -8.633 504 HE3 LYS 67 HE1 LYS 67 -4.294 8.314 -8.107 505 HZ1 LYS 67 HZ1 LYS 67 -5.506 8.423 -10.160 506 HZ2 LYS 67 HZ2 LYS 67 -4.457 7.339 -10.906 507 HZ3 LYS 67 HZ3 LYS 67 -3.910 8.865 -10.493 508 H THR 68 HN THR 68 -1.435 2.655 -7.145 509 HA THR 68 HA THR 68 -3.531 0.882 -6.360 510 HB THR 68 HB THR 68 -2.701 -0.615 -8.036 511 HG1 THR 68 HG1 THR 68 -0.831 1.438 -8.728 512 HG21 THR 68 HG21 THR 68 -2.973 2.199 -9.127 513 HG22 THR 68 HG22 THR 68 -4.299 1.087 -8.783 514 HG23 THR 68 HG23 THR 68 -3.155 0.723 -10.075 515 H VAL 69 HN VAL 69 -2.593 -1.418 -6.001 516 HA VAL 69 HA VAL 69 -0.560 -1.308 -4.008 517 HB VAL 69 HB VAL 69 -1.540 -3.798 -5.366 518 HG11 VAL 69 HG11 VAL 69 0.315 -4.086 -3.847 519 HG12 VAL 69 HG12 VAL 69 -1.134 -4.854 -3.197 520 HG13 VAL 69 HG13 VAL 69 -0.584 -3.303 -2.551 521 HG21 VAL 69 HG21 VAL 69 -2.921 -2.258 -3.195 522 HG22 VAL 69 HG22 VAL 69 -3.377 -3.892 -3.743 523 HG23 VAL 69 HG23 VAL 69 -3.462 -2.514 -4.853 524 H GLY 70 HN GLY 70 -0.697 -1.477 -7.327 525 HA2 GLY 70 HA2 GLY 70 1.740 -2.917 -7.818 526 HA3 GLY 70 HA1 GLY 70 0.935 -1.825 -8.952 527 H ASP 71 HN ASP 71 0.838 0.409 -7.693 528 HA ASP 71 HA ASP 71 3.378 1.549 -8.040 529 HB2 ASP 71 HB2 ASP 71 1.089 2.664 -6.408 530 HB3 ASP 71 HB1 ASP 71 2.456 3.580 -6.995 531 H ALA 72 HN ALA 72 1.497 0.853 -5.155 532 HA ALA 72 HA ALA 72 3.172 1.822 -3.169 533 HB1 ALA 72 HB1 ALA 72 1.484 -0.659 -3.032 534 HB2 ALA 72 HB2 ALA 72 0.870 0.980 -2.781 535 HB3 ALA 72 HB3 ALA 72 2.062 0.279 -1.674 536 H THR 73 HN THR 73 2.832 -1.487 -4.126 537 HA THR 73 HA THR 73 4.784 -2.448 -2.579 538 HB THR 73 HB THR 73 3.774 -3.623 -5.154 539 HG1 THR 73 HG1 THR 73 2.041 -3.506 -4.000 540 HG21 THR 73 HG21 THR 73 5.768 -4.717 -4.312 541 HG22 THR 73 HG22 THR 73 4.340 -5.749 -4.067 542 HG23 THR 73 HG23 THR 73 5.025 -4.816 -2.720 543 H LYS 74 HN LYS 74 5.050 -1.503 -5.998 544 HA LYS 74 HA LYS 74 7.621 -2.408 -6.488 545 HB2 LYS 74 HB2 LYS 74 5.704 -0.538 -7.595 546 HB3 LYS 74 HB1 LYS 74 7.375 -0.138 -7.978 547 HG2 LYS 74 HG2 LYS 74 6.347 -1.483 -9.765 548 HG3 LYS 74 HG1 LYS 74 7.685 -2.337 -9.006 549 HD2 LYS 74 HD2 LYS 74 6.065 -3.636 -7.676 550 HD3 LYS 74 HD1 LYS 74 4.745 -2.788 -8.484 551 HE2 LYS 74 HE2 LYS 74 6.834 -4.468 -9.876 552 HE3 LYS 74 HE1 LYS 74 5.219 -5.023 -9.452 553 HZ1 LYS 74 HZ1 LYS 74 5.798 -2.749 -11.307 554 HZ2 LYS 74 HZ2 LYS 74 4.278 -3.383 -10.950 555 HZ3 LYS 74 HZ3 LYS 74 5.402 -4.315 -11.776 556 H TYR 75 HN TYR 75 6.385 0.726 -5.430 557 HA TYR 75 HA TYR 75 8.740 2.120 -5.132 558 HB2 TYR 75 HB2 TYR 75 6.421 3.054 -4.876 559 HB3 TYR 75 HB1 TYR 75 6.323 2.183 -3.405 560 HD1 TYR 75 HD1 TYR 75 8.992 4.476 -4.735 561 HD2 TYR 75 HD2 TYR 75 6.504 3.319 -1.495 562 HE1 TYR 75 HE1 TYR 75 10.124 6.102 -3.277 563 HE2 TYR 75 HE2 TYR 75 7.605 4.935 -0.059 564 HH TYR 75 HH TYR 75 9.629 6.066 0.141 565 H ILE 76 HN ILE 76 6.993 0.229 -2.796 566 HA ILE 76 HA ILE 76 8.559 0.600 -0.566 567 HB ILE 76 HB ILE 76 6.823 -1.719 -1.421 568 HG12 ILE 76 HG12 ILE 76 6.317 0.371 0.656 569 HG13 ILE 76 HG11 ILE 76 5.962 0.642 -1.047 570 HG21 ILE 76 HG21 ILE 76 6.795 -2.413 0.921 571 HG22 ILE 76 HG22 ILE 76 7.981 -1.168 1.312 572 HG23 ILE 76 HG23 ILE 76 8.426 -2.512 0.261 573 HD11 ILE 76 HD11 ILE 76 3.993 -0.092 0.186 574 HD12 ILE 76 HD12 ILE 76 4.849 -1.590 0.636 575 HD13 ILE 76 HD13 ILE 76 4.502 -1.228 -1.063 576 H LEU 77 HN LEU 77 8.588 -2.332 -2.624 577 HA LEU 77 HA LEU 77 10.666 -3.688 -1.563 578 HB2 LEU 77 HB2 LEU 77 8.981 -4.490 -3.108 579 HB3 LEU 77 HB1 LEU 77 9.593 -3.472 -4.370 580 HG LEU 77 HG LEU 77 11.024 -5.920 -3.284 581 HD11 LEU 77 HD11 LEU 77 9.344 -5.417 -5.705 582 HD12 LEU 77 HD12 LEU 77 8.887 -6.388 -4.300 583 HD13 LEU 77 HD13 LEU 77 10.206 -6.928 -5.363 584 HD21 LEU 77 HD21 LEU 77 12.338 -5.778 -5.348 585 HD22 LEU 77 HD22 LEU 77 12.529 -4.287 -4.426 586 HD23 LEU 77 HD23 LEU 77 11.461 -4.326 -5.831 587 H ASP 78 HN ASP 78 10.563 -1.290 -4.059 588 HA ASP 78 HA ASP 78 13.225 -1.604 -5.032 589 HB2 ASP 78 HB2 ASP 78 11.662 -0.970 -6.582 590 HB3 ASP 78 HB1 ASP 78 10.924 0.274 -5.626 591 H HIS 79 HN HIS 79 11.715 0.309 -2.621 592 HA HIS 79 HA HIS 79 14.213 1.753 -2.232 593 HB2 HIS 79 HB2 HIS 79 11.415 2.406 -1.447 594 HB3 HIS 79 HB1 HIS 79 12.753 3.100 -0.548 595 HD1 HIS 79 HD1 HIS 79 12.792 5.478 -1.320 596 HD2 HIS 79 HD2 HIS 79 12.402 2.813 -4.479 597 HE1 HIS 79 HE1 HIS 79 12.970 6.870 -3.404 598 HE2 HIS 79 HE2 HIS 79 12.439 5.255 -5.272 599 H GLN 80 HN GLN 80 12.666 -0.977 -0.968 600 HA GLN 80 HA GLN 80 13.472 -0.748 1.787 601 HB2 GLN 80 HB2 GLN 80 13.304 -3.226 0.193 602 HB3 GLN 80 HB1 GLN 80 13.256 -3.089 1.931 603 HG2 GLN 80 HG2 GLN 80 11.143 -2.044 1.810 604 HG3 GLN 80 HG1 GLN 80 11.180 -2.124 0.043 605 HE21 GLN 80 HE21 GLN 80 9.305 -3.280 1.678 606 HE22 GLN 80 HE22 GLN 80 9.349 -5.026 1.540 607 H ALA 81 HN ALA 81 14.463 -2.524 -0.770 608 HA ALA 81 HA ALA 81 17.203 -2.158 0.058 609 HB1 ALA 81 HB1 ALA 81 16.561 -4.297 0.994 610 HB2 ALA 81 HB2 ALA 81 17.789 -4.545 -0.248 611 HB3 ALA 81 HB3 ALA 81 16.094 -4.889 -0.601 612 H1 SYO 101 H1A SYO 101 -3.481 6.086 0.873 613 H1A SYO 101 H1B SYO 101 -1.905 6.865 0.645 614 H2 SYO 101 H2A SYO 101 -2.049 6.715 -1.589 615 H2A SYO 101 H2B SYO 101 -3.839 6.581 -1.648 616 H4 SYO 101 H4A SYO 101 -0.717 4.912 -1.105 617 H4A SYO 101 H4B SYO 101 -1.351 3.766 -2.273 618 H5 SYO 101 H5A SYO 101 -1.854 2.176 -0.630 619 H5A SYO 101 H5B SYO 101 -1.624 3.343 0.679 620 H6 SYO 101 H6A SYO 101 0.731 3.527 0.080 621 H6A SYO 101 H6B SYO 101 0.496 2.345 -1.205 622 H7 SYO 101 H7A SYO 101 -0.073 0.647 0.399 623 H7A SYO 101 H7B SYO 101 0.049 1.828 1.724 624 H8 SYO 101 H8C SYO 101 2.247 1.012 -0.171 625 H8A SYO 101 H8A SYO 101 2.085 0.487 1.504 626 H8B SYO 101 H8B SYO 101 2.394 2.185 1.138 627 H28 SYO 101 H28A SYO 101 -7.461 11.811 -1.432 628 H28A SYO 101 H28B SYO 101 -7.743 10.117 -1.761 629 H30 SYO 101 H30A SYO 101 -8.970 13.352 -3.096 630 H30A SYO 101 H30B SYO 101 -10.243 12.132 -3.039 631 H30B SYO 101 H30C SYO 101 -9.563 12.619 -4.603 632 H31 SYO 101 H31A SYO 101 -6.678 12.699 -3.587 633 H31A SYO 101 H31B SYO 101 -7.166 11.937 -5.107 634 H31B SYO 101 H31C SYO 101 -6.288 11.005 -3.894 635 H32 SYO 101 H32A SYO 101 -9.512 9.508 -3.407 636 HO33 SYO 101 H33A SYO 101 -9.549 9.489 -5.844 637 HN36 SYO 101 H36A SYO 101 -7.232 9.180 -2.570 638 H37 SYO 101 H37A SYO 101 -5.541 7.545 -2.450 639 H37A SYO 101 H37B SYO 101 -6.170 6.882 -3.957 640 H38 SYO 101 H38A SYO 101 -3.910 7.614 -4.247 641 H38A SYO 101 H38B SYO 101 -4.962 8.668 -5.227 642 HN41 SYO 101 H41A SYO 101 -4.006 8.516 -1.860 643 H42 SYO 101 H42A SYO 101 -2.378 10.842 -1.956 644 H42A SYO 101 H42B SYO 101 -3.882 10.975 -1.033 645 H43 SYO 101 H43A SYO 101 -2.101 10.269 0.443 646 H43A SYO 101 H43B SYO 101 -1.705 8.970 -0.682 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 15.319 -6.153 5.552 2 H2 ALA 1 HT2 ALA 1 13.895 -5.302 5.725 3 H3 ALA 1 HT3 ALA 1 15.344 -4.467 5.409 4 HA ALA 1 HA ALA 1 13.829 -4.719 3.426 5 HB1 ALA 1 HB1 ALA 1 16.464 -6.190 3.224 6 HB2 ALA 1 HB2 ALA 1 16.276 -4.437 3.137 7 HB3 ALA 1 HB3 ALA 1 15.558 -5.464 1.895 8 H ALA 2 HN ALA 2 12.507 -5.922 2.289 9 HA ALA 2 HA ALA 2 12.526 -8.782 2.754 10 HB1 ALA 2 HB1 ALA 2 10.069 -8.664 2.986 11 HB2 ALA 2 HB2 ALA 2 10.160 -6.903 2.945 12 HB3 ALA 2 HB3 ALA 2 10.891 -7.795 4.281 13 H THR 3 HN THR 3 10.092 -8.929 1.212 14 HA THR 3 HA THR 3 10.941 -7.902 -1.370 15 HB THR 3 HB THR 3 11.835 -10.176 -1.281 16 HG1 THR 3 HG1 THR 3 11.167 -9.776 -3.326 17 HG21 THR 3 HG21 THR 3 9.004 -11.067 -0.710 18 HG22 THR 3 HG22 THR 3 10.365 -11.128 0.411 19 HG23 THR 3 HG23 THR 3 10.367 -12.141 -1.033 20 H GLN 4 HN GLN 4 9.122 -8.411 -3.013 21 HA GLN 4 HA GLN 4 6.835 -7.042 -2.486 22 HB2 GLN 4 HB2 GLN 4 7.526 -7.542 -4.729 23 HB3 GLN 4 HB1 GLN 4 7.267 -9.258 -4.477 24 HG2 GLN 4 HG2 GLN 4 4.925 -7.549 -4.054 25 HG3 GLN 4 HG1 GLN 4 5.514 -7.581 -5.698 26 HE21 GLN 4 HE21 GLN 4 3.931 -9.335 -3.150 27 HE22 GLN 4 HE22 GLN 4 3.539 -10.738 -4.034 28 H GLU 5 HN GLU 5 7.330 -10.473 -1.987 29 HA GLU 5 HA GLU 5 4.755 -11.359 -1.553 30 HB2 GLU 5 HB2 GLU 5 7.270 -12.147 -0.090 31 HB3 GLU 5 HB1 GLU 5 5.770 -13.066 -0.086 32 HG2 GLU 5 HG2 GLU 5 5.944 -13.446 -2.454 33 HG3 GLU 5 HG1 GLU 5 7.379 -12.424 -2.540 34 H GLU 6 HN GLU 6 7.007 -10.134 0.891 35 HA GLU 6 HA GLU 6 5.361 -10.053 3.148 36 HB2 GLU 6 HB2 GLU 6 7.837 -9.643 3.190 37 HB3 GLU 6 HB1 GLU 6 7.568 -8.187 2.288 38 HG2 GLU 6 HG2 GLU 6 7.996 -7.593 4.555 39 HG3 GLU 6 HG1 GLU 6 6.324 -7.213 4.169 40 H ILE 7 HN ILE 7 5.690 -7.861 0.412 41 HA ILE 7 HA ILE 7 4.569 -5.626 1.739 42 HB ILE 7 HB ILE 7 5.247 -6.173 -1.152 43 HG12 ILE 7 HG12 ILE 7 6.770 -4.667 0.989 44 HG13 ILE 7 HG11 ILE 7 7.093 -6.325 0.517 45 HG21 ILE 7 HG21 ILE 7 4.644 -3.589 0.285 46 HG22 ILE 7 HG22 ILE 7 3.607 -4.374 -0.909 47 HG23 ILE 7 HG23 ILE 7 5.182 -3.739 -1.387 48 HD11 ILE 7 HD11 ILE 7 7.708 -5.613 -1.686 49 HD12 ILE 7 HD12 ILE 7 8.622 -4.698 -0.463 50 HD13 ILE 7 HD13 ILE 7 7.264 -3.950 -1.297 51 H VAL 8 HN VAL 8 3.499 -7.309 -1.187 52 HA VAL 8 HA VAL 8 0.878 -6.312 -1.058 53 HB VAL 8 HB VAL 8 1.874 -8.827 -2.413 54 HG11 VAL 8 HG11 VAL 8 -0.656 -7.239 -2.924 55 HG12 VAL 8 HG12 VAL 8 -0.579 -8.841 -2.194 56 HG13 VAL 8 HG13 VAL 8 -0.097 -8.615 -3.876 57 HG21 VAL 8 HG21 VAL 8 1.511 -6.036 -3.448 58 HG22 VAL 8 HG22 VAL 8 1.992 -7.433 -4.415 59 HG23 VAL 8 HG23 VAL 8 3.036 -6.840 -3.119 60 H ALA 9 HN ALA 9 2.076 -9.409 0.182 61 HA ALA 9 HA ALA 9 -0.454 -10.300 0.913 62 HB1 ALA 9 HB1 ALA 9 0.714 -11.908 2.357 63 HB2 ALA 9 HB2 ALA 9 2.215 -11.001 2.129 64 HB3 ALA 9 HB3 ALA 9 1.451 -11.801 0.758 65 H GLY 10 HN GLY 10 1.871 -8.179 2.495 66 HA2 GLY 10 HA2 GLY 10 0.507 -8.348 4.959 67 HA3 GLY 10 HA1 GLY 10 1.965 -7.408 4.648 68 H LEU 11 HN LEU 11 0.871 -6.084 2.368 69 HA LEU 11 HA LEU 11 -0.266 -3.862 3.618 70 HB2 LEU 11 HB2 LEU 11 0.916 -4.430 1.229 71 HB3 LEU 11 HB1 LEU 11 -0.758 -4.266 0.752 72 HG LEU 11 HG LEU 11 0.934 -2.152 2.103 73 HD11 LEU 11 HD11 LEU 11 -0.107 -2.373 -0.702 74 HD12 LEU 11 HD12 LEU 11 1.570 -2.547 -0.181 75 HD13 LEU 11 HD13 LEU 11 0.752 -0.992 -0.021 76 HD21 LEU 11 HD21 LEU 11 -1.359 -1.921 2.806 77 HD22 LEU 11 HD22 LEU 11 -1.916 -2.095 1.154 78 HD23 LEU 11 HD23 LEU 11 -0.990 -0.660 1.622 79 H ALA 12 HN ALA 12 -1.563 -6.573 1.780 80 HA ALA 12 HA ALA 12 -4.257 -5.851 1.663 81 HB1 ALA 12 HB1 ALA 12 -3.091 -8.609 2.042 82 HB2 ALA 12 HB2 ALA 12 -3.368 -7.812 0.487 83 HB3 ALA 12 HB3 ALA 12 -4.733 -8.240 1.527 84 H GLU 13 HN GLU 13 -2.439 -7.501 4.190 85 HA GLU 13 HA GLU 13 -4.640 -7.949 5.869 86 HB2 GLU 13 HB2 GLU 13 -1.709 -7.824 6.522 87 HB3 GLU 13 HB1 GLU 13 -2.959 -8.361 7.643 88 HG2 GLU 13 HG2 GLU 13 -3.584 -10.116 6.073 89 HG3 GLU 13 HG1 GLU 13 -2.282 -9.610 5.002 90 H ILE 14 HN ILE 14 -2.443 -5.339 5.592 91 HA ILE 14 HA ILE 14 -3.364 -3.873 7.853 92 HB ILE 14 HB ILE 14 -2.189 -2.763 5.269 93 HG12 ILE 14 HG12 ILE 14 -0.740 -3.356 7.838 94 HG13 ILE 14 HG11 ILE 14 -0.910 -4.577 6.586 95 HG21 ILE 14 HG21 ILE 14 -2.347 -1.601 8.047 96 HG22 ILE 14 HG22 ILE 14 -3.288 -1.079 6.646 97 HG23 ILE 14 HG23 ILE 14 -1.536 -0.881 6.653 98 HD11 ILE 14 HD11 ILE 14 0.390 -1.901 6.266 99 HD12 ILE 14 HD12 ILE 14 0.216 -3.161 5.031 100 HD13 ILE 14 HD13 ILE 14 1.204 -3.461 6.461 101 H VAL 15 HN VAL 15 -4.371 -3.949 4.447 102 HA VAL 15 HA VAL 15 -6.206 -1.810 4.660 103 HB VAL 15 HB VAL 15 -6.384 -4.055 2.602 104 HG11 VAL 15 HG11 VAL 15 -7.460 -2.358 1.203 105 HG12 VAL 15 HG12 VAL 15 -7.342 -1.203 2.535 106 HG13 VAL 15 HG13 VAL 15 -8.343 -2.649 2.702 107 HG21 VAL 15 HG21 VAL 15 -4.880 -1.460 2.361 108 HG22 VAL 15 HG22 VAL 15 -5.086 -2.682 1.101 109 HG23 VAL 15 HG23 VAL 15 -4.152 -3.059 2.549 110 H ASN 16 HN ASN 16 -6.258 -5.118 5.367 111 HA ASN 16 HA ASN 16 -9.040 -5.760 5.430 112 HB2 ASN 16 HB2 ASN 16 -6.842 -6.962 7.177 113 HB3 ASN 16 HB1 ASN 16 -8.468 -7.564 7.018 114 HD21 ASN 16 HD21 ASN 16 -8.521 -7.226 4.201 115 HD22 ASN 16 HD22 ASN 16 -7.471 -8.457 3.548 116 H GLU 17 HN GLU 17 -6.793 -4.500 7.787 117 HA GLU 17 HA GLU 17 -8.696 -4.532 9.924 118 HB2 GLU 17 HB2 GLU 17 -5.953 -3.301 9.769 119 HB3 GLU 17 HB1 GLU 17 -6.896 -3.554 11.233 120 HG2 GLU 17 HG2 GLU 17 -5.844 -5.680 9.397 121 HG3 GLU 17 HG1 GLU 17 -5.206 -5.277 11.003 122 H ILE 18 HN ILE 18 -7.043 -2.047 8.052 123 HA ILE 18 HA ILE 18 -8.125 0.208 9.324 124 HB ILE 18 HB ILE 18 -7.157 -0.177 6.491 125 HG12 ILE 18 HG12 ILE 18 -5.572 -0.588 8.432 126 HG13 ILE 18 HG11 ILE 18 -5.016 0.573 7.244 127 HG21 ILE 18 HG21 ILE 18 -8.579 1.784 6.579 128 HG22 ILE 18 HG22 ILE 18 -6.891 2.265 6.395 129 HG23 ILE 18 HG23 ILE 18 -7.680 2.402 7.967 130 HD11 ILE 18 HD11 ILE 18 -6.195 1.084 9.982 131 HD12 ILE 18 HD12 ILE 18 -5.729 2.350 8.843 132 HD13 ILE 18 HD13 ILE 18 -4.506 1.265 9.501 133 H ALA 19 HN ALA 19 -9.183 -1.399 6.305 134 HA ALA 19 HA ALA 19 -11.631 0.203 6.485 135 HB1 ALA 19 HB1 ALA 19 -10.347 0.554 4.423 136 HB2 ALA 19 HB2 ALA 19 -11.917 -0.177 4.086 137 HB3 ALA 19 HB3 ALA 19 -10.460 -1.169 4.062 138 H GLY 20 HN GLY 20 -10.893 -2.795 4.884 139 HA2 GLY 20 HA2 GLY 20 -11.920 -4.762 6.343 140 HA3 GLY 20 HA1 GLY 20 -13.400 -3.974 5.819 141 H ILE 21 HN ILE 21 -10.355 -4.609 4.324 142 HA ILE 21 HA ILE 21 -11.655 -5.536 1.919 143 HB ILE 21 HB ILE 21 -9.185 -4.339 2.711 144 HG12 ILE 21 HG12 ILE 21 -9.066 -3.666 0.337 145 HG13 ILE 21 HG11 ILE 21 -10.462 -4.699 0.026 146 HG21 ILE 21 HG21 ILE 21 -7.614 -5.374 1.120 147 HG22 ILE 21 HG22 ILE 21 -8.744 -6.716 0.933 148 HG23 ILE 21 HG23 ILE 21 -8.032 -6.378 2.499 149 HD11 ILE 21 HD11 ILE 21 -11.783 -3.352 1.570 150 HD12 ILE 21 HD12 ILE 21 -11.116 -2.381 0.257 151 HD13 ILE 21 HD13 ILE 21 -10.384 -2.316 1.859 152 HA PRO 22 HA PRO 22 -10.461 -9.653 3.095 153 HB2 PRO 22 HB2 PRO 22 -10.882 -10.925 0.719 154 HB3 PRO 22 HB1 PRO 22 -12.179 -10.312 1.786 155 HG2 PRO 22 HG2 PRO 22 -11.330 -9.304 -0.830 156 HG3 PRO 22 HG1 PRO 22 -12.840 -9.028 0.054 157 HD2 PRO 22 HD2 PRO 22 -10.446 -7.360 -0.061 158 HD3 PRO 22 HD1 PRO 22 -12.020 -6.959 0.631 159 H VAL 23 HN VAL 23 -8.628 -10.856 3.041 160 HA VAL 23 HA VAL 23 -6.444 -9.485 1.940 161 HB VAL 23 HB VAL 23 -6.282 -10.370 4.182 162 HG11 VAL 23 HG11 VAL 23 -6.416 -13.129 3.022 163 HG12 VAL 23 HG12 VAL 23 -7.612 -12.330 4.045 164 HG13 VAL 23 HG13 VAL 23 -6.028 -12.746 4.700 165 HG21 VAL 23 HG21 VAL 23 -4.059 -11.450 4.144 166 HG22 VAL 23 HG22 VAL 23 -4.152 -10.057 3.068 167 HG23 VAL 23 HG23 VAL 23 -4.227 -11.690 2.406 168 H GLU 24 HN GLU 24 -7.589 -10.078 -0.133 169 HA GLU 24 HA GLU 24 -5.749 -11.600 -1.731 170 HB2 GLU 24 HB2 GLU 24 -7.338 -13.182 -2.630 171 HB3 GLU 24 HB1 GLU 24 -7.292 -13.202 -0.856 172 HG2 GLU 24 HG2 GLU 24 -9.338 -12.063 -0.667 173 HG3 GLU 24 HG1 GLU 24 -9.404 -11.765 -2.405 174 H ASP 25 HN ASP 25 -8.072 -9.121 -1.321 175 HA ASP 25 HA ASP 25 -8.692 -8.748 -4.133 176 HB2 ASP 25 HB2 ASP 25 -10.283 -8.153 -2.301 177 HB3 ASP 25 HB1 ASP 25 -9.177 -6.892 -1.787 178 H VAL 26 HN VAL 26 -6.468 -7.705 -1.806 179 HA VAL 26 HA VAL 26 -5.549 -5.361 -3.184 180 HB VAL 26 HB VAL 26 -4.263 -6.866 -0.882 181 HG11 VAL 26 HG11 VAL 26 -3.879 -4.042 -1.854 182 HG12 VAL 26 HG12 VAL 26 -2.710 -5.350 -1.988 183 HG13 VAL 26 HG13 VAL 26 -3.177 -4.731 -0.390 184 HG21 VAL 26 HG21 VAL 26 -6.146 -4.527 -0.842 185 HG22 VAL 26 HG22 VAL 26 -5.321 -5.217 0.559 186 HG23 VAL 26 HG23 VAL 26 -6.512 -6.171 -0.325 187 H LYS 27 HN LYS 27 -4.917 -6.003 -5.160 188 HA LYS 27 HA LYS 27 -2.584 -7.762 -5.360 189 HB2 LYS 27 HB2 LYS 27 -4.824 -7.250 -7.316 190 HB3 LYS 27 HB1 LYS 27 -3.362 -8.128 -7.710 191 HG2 LYS 27 HG2 LYS 27 -3.987 -9.817 -6.006 192 HG3 LYS 27 HG1 LYS 27 -5.494 -8.933 -5.742 193 HD2 LYS 27 HD2 LYS 27 -6.119 -9.250 -8.066 194 HD3 LYS 27 HD1 LYS 27 -4.562 -10.039 -8.367 195 HE2 LYS 27 HE2 LYS 27 -5.176 -11.832 -6.817 196 HE3 LYS 27 HE1 LYS 27 -6.708 -11.032 -6.488 197 HZ1 LYS 27 HZ1 LYS 27 -7.424 -11.468 -8.747 198 HZ2 LYS 27 HZ2 LYS 27 -6.794 -12.921 -8.117 199 HZ3 LYS 27 HZ3 LYS 27 -5.887 -12.005 -9.160 200 H LEU 28 HN LEU 28 -1.438 -7.142 -7.441 201 HA LEU 28 HA LEU 28 -0.726 -4.385 -7.338 202 HB2 LEU 28 HB2 LEU 28 -0.066 -6.606 -9.288 203 HB3 LEU 28 HB1 LEU 28 0.453 -4.962 -9.560 204 HG LEU 28 HG LEU 28 1.854 -5.075 -7.510 205 HD11 LEU 28 HD11 LEU 28 2.243 -7.156 -6.389 206 HD12 LEU 28 HD12 LEU 28 0.942 -7.917 -7.323 207 HD13 LEU 28 HD13 LEU 28 0.588 -6.586 -6.210 208 HD21 LEU 28 HD21 LEU 28 2.311 -7.330 -9.445 209 HD22 LEU 28 HD22 LEU 28 3.517 -6.624 -8.367 210 HD23 LEU 28 HD23 LEU 28 2.815 -5.653 -9.661 211 H ASP 29 HN ASP 29 -1.191 -2.808 -8.727 212 HA ASP 29 HA ASP 29 -2.270 -1.577 -10.272 213 HB2 ASP 29 HB2 ASP 29 -1.877 -3.543 -11.825 214 HB3 ASP 29 HB1 ASP 29 -3.433 -4.139 -11.265 215 H LYS 30 HN LYS 30 -3.511 -3.002 -7.749 216 HA LYS 30 HA LYS 30 -6.266 -2.152 -8.225 217 HB2 LYS 30 HB2 LYS 30 -5.095 -3.210 -5.644 218 HB3 LYS 30 HB1 LYS 30 -6.720 -2.618 -6.063 219 HG2 LYS 30 HG2 LYS 30 -5.532 -5.031 -7.425 220 HG3 LYS 30 HG1 LYS 30 -6.432 -5.130 -5.901 221 HD2 LYS 30 HD2 LYS 30 -8.333 -4.065 -6.928 222 HD3 LYS 30 HD1 LYS 30 -7.481 -3.977 -8.466 223 HE2 LYS 30 HE2 LYS 30 -7.368 -6.399 -8.570 224 HE3 LYS 30 HE1 LYS 30 -8.109 -6.524 -6.972 225 HZ1 LYS 30 HZ1 LYS 30 -9.762 -6.871 -8.714 226 HZ2 LYS 30 HZ2 LYS 30 -9.401 -5.334 -9.365 227 HZ3 LYS 30 HZ3 LYS 30 -10.060 -5.472 -7.823 228 H SER 31 HN SER 31 -6.782 -0.400 -7.834 229 HA SER 31 HA SER 31 -5.015 1.733 -6.985 230 HB2 SER 31 HB2 SER 31 -7.889 1.859 -7.843 231 HB3 SER 31 HB1 SER 31 -6.763 3.207 -7.791 232 HG SER 31 HG SER 31 -6.910 1.017 -9.496 233 H PHE 32 HN PHE 32 -5.763 0.039 -4.821 234 HA PHE 32 HA PHE 32 -6.711 -0.102 -2.759 235 HB2 PHE 32 HB2 PHE 32 -5.524 2.654 -2.751 236 HB3 PHE 32 HB1 PHE 32 -6.107 1.835 -1.313 237 HD1 PHE 32 HD2 PHE 32 -4.926 -0.211 -0.503 238 HD2 PHE 32 HD1 PHE 32 -3.435 2.130 -3.729 239 HE1 PHE 32 HE2 PHE 32 -2.754 -1.252 -0.250 240 HE2 PHE 32 HE1 PHE 32 -1.234 1.080 -3.460 241 HZ PHE 32 HZ PHE 32 -0.892 -0.612 -1.717 242 H THR 33 HN THR 33 -7.332 3.254 -2.741 243 HA THR 33 HA THR 33 -10.010 2.667 -1.806 244 HB THR 33 HB THR 33 -8.627 4.234 -0.515 245 HG1 THR 33 HG1 THR 33 -10.713 5.858 -1.461 246 HG21 THR 33 HG21 THR 33 -7.391 5.309 -2.313 247 HG22 THR 33 HG22 THR 33 -8.211 6.523 -1.329 248 HG23 THR 33 HG23 THR 33 -8.869 6.069 -2.899 249 H ASP 34 HN ASP 34 -9.543 2.161 -4.407 250 HA ASP 34 HA ASP 34 -11.769 3.592 -5.602 251 HB2 ASP 34 HB2 ASP 34 -9.743 4.696 -6.559 252 HB3 ASP 34 HB1 ASP 34 -9.168 3.123 -7.085 253 H ASP 35 HN ASP 35 -9.347 1.060 -5.979 254 HA ASP 35 HA ASP 35 -11.232 -0.663 -7.361 255 HB2 ASP 35 HB2 ASP 35 -8.338 -0.814 -6.761 256 HB3 ASP 35 HB1 ASP 35 -9.156 -2.331 -7.001 257 H LEU 36 HN LEU 36 -9.801 -0.477 -4.158 258 HA LEU 36 HA LEU 36 -10.643 -3.166 -3.493 259 HB2 LEU 36 HB2 LEU 36 -9.398 -1.080 -1.745 260 HB3 LEU 36 HB1 LEU 36 -9.605 -2.772 -1.345 261 HG LEU 36 HG LEU 36 -7.788 -1.546 -3.374 262 HD11 LEU 36 HD11 LEU 36 -7.294 -3.026 -0.816 263 HD12 LEU 36 HD12 LEU 36 -7.099 -1.298 -1.084 264 HD13 LEU 36 HD13 LEU 36 -6.035 -2.446 -1.916 265 HD21 LEU 36 HD21 LEU 36 -6.927 -3.813 -3.722 266 HD22 LEU 36 HD22 LEU 36 -8.597 -3.610 -4.254 267 HD23 LEU 36 HD23 LEU 36 -8.257 -4.462 -2.744 268 H ASP 37 HN ASP 37 -11.397 0.160 -2.377 269 HA ASP 37 HA ASP 37 -13.281 1.003 -1.607 270 HB2 ASP 37 HB2 ASP 37 -14.828 -0.858 -2.065 271 HB3 ASP 37 HB1 ASP 37 -14.131 -1.754 -0.712 272 H VAL 38 HN VAL 38 -11.522 1.770 -0.696 273 HA VAL 38 HA VAL 38 -11.255 1.084 2.169 274 HB VAL 38 HB VAL 38 -9.238 2.775 0.588 275 HG11 VAL 38 HG11 VAL 38 -7.670 2.195 2.364 276 HG12 VAL 38 HG12 VAL 38 -8.926 1.282 3.200 277 HG13 VAL 38 HG13 VAL 38 -9.071 3.028 3.034 278 HG21 VAL 38 HG21 VAL 38 -9.437 0.597 -0.433 279 HG22 VAL 38 HG22 VAL 38 -9.138 -0.184 1.125 280 HG23 VAL 38 HG23 VAL 38 -7.873 0.788 0.362 281 H ASP 39 HN ASP 39 -10.625 3.069 3.491 282 HA ASP 39 HA ASP 39 -12.869 4.847 3.455 283 HB2 ASP 39 HB2 ASP 39 -12.143 4.035 5.561 284 HB3 ASP 39 HB1 ASP 39 -10.498 4.590 5.286 285 H SER 40 HN SER 40 -9.726 5.083 2.156 286 HA SER 40 HA SER 40 -8.638 6.627 0.949 287 HB2 SER 40 HB2 SER 40 -11.011 7.141 0.249 288 HB3 SER 40 HB1 SER 40 -10.867 8.567 1.301 289 H LEU 41 HN LEU 41 -10.143 8.075 3.855 290 HA LEU 41 HA LEU 41 -7.939 9.919 4.074 291 HB2 LEU 41 HB2 LEU 41 -9.927 9.124 6.211 292 HB3 LEU 41 HB1 LEU 41 -8.896 10.541 6.229 293 HG LEU 41 HG LEU 41 -11.133 9.974 4.377 294 HD11 LEU 41 HD11 LEU 41 -10.850 11.974 6.638 295 HD12 LEU 41 HD12 LEU 41 -11.889 10.548 6.628 296 HD13 LEU 41 HD13 LEU 41 -12.233 11.895 5.544 297 HD21 LEU 41 HD21 LEU 41 -9.377 12.416 4.581 298 HD22 LEU 41 HD22 LEU 41 -10.828 12.304 3.585 299 HD23 LEU 41 HD23 LEU 41 -9.440 11.269 3.243 300 H SER 42 HN SER 42 -9.199 7.151 5.791 301 HA SER 42 HA SER 42 -6.990 6.661 7.392 302 HB2 SER 42 HB2 SER 42 -9.054 4.684 6.448 303 HB3 SER 42 HB1 SER 42 -8.025 4.502 7.868 304 HG SER 42 HG SER 42 -10.113 6.358 7.425 305 H MET 43 HN MET 43 -7.346 6.323 4.161 306 HA MET 43 HA MET 43 -6.025 3.993 3.361 307 HB2 MET 43 HB2 MET 43 -7.411 5.459 1.967 308 HB3 MET 43 HB1 MET 43 -6.192 6.704 2.072 309 HG2 MET 43 HG2 MET 43 -6.013 5.756 -0.047 310 HG3 MET 43 HG1 MET 43 -4.658 5.116 0.873 311 HE1 MET 43 HE1 MET 43 -4.165 2.661 1.157 312 HE2 MET 43 HE2 MET 43 -5.419 1.416 1.263 313 HE3 MET 43 HE3 MET 43 -5.384 2.744 2.429 314 H VAL 44 HN VAL 44 -4.977 7.194 4.339 315 HA VAL 44 HA VAL 44 -2.338 7.035 3.492 316 HB VAL 44 HB VAL 44 -3.524 8.651 5.782 317 HG11 VAL 44 HG11 VAL 44 -0.915 9.050 4.313 318 HG12 VAL 44 HG12 VAL 44 -1.086 8.517 5.984 319 HG13 VAL 44 HG13 VAL 44 -1.596 10.141 5.518 320 HG21 VAL 44 HG21 VAL 44 -4.589 9.087 3.631 321 HG22 VAL 44 HG22 VAL 44 -3.019 9.359 2.892 322 HG23 VAL 44 HG23 VAL 44 -3.612 10.474 4.125 323 H GLU 45 HN GLU 45 -3.965 6.145 6.535 324 HA GLU 45 HA GLU 45 -1.796 5.413 8.143 325 HB2 GLU 45 HB2 GLU 45 -4.525 4.133 7.999 326 HB3 GLU 45 HB1 GLU 45 -3.341 3.811 9.250 327 HG2 GLU 45 HG2 GLU 45 -4.735 6.403 8.698 328 HG3 GLU 45 HG1 GLU 45 -4.980 5.256 10.032 329 H VAL 46 HN VAL 46 -3.594 3.570 5.761 330 HA VAL 46 HA VAL 46 -2.445 1.071 6.156 331 HB VAL 46 HB VAL 46 -3.361 2.095 3.471 332 HG11 VAL 46 HG11 VAL 46 -2.389 -0.176 3.582 333 HG12 VAL 46 HG12 VAL 46 -4.060 -0.103 3.037 334 HG13 VAL 46 HG13 VAL 46 -3.718 -0.642 4.667 335 HG21 VAL 46 HG21 VAL 46 -5.038 2.789 5.060 336 HG22 VAL 46 HG22 VAL 46 -5.104 1.161 5.735 337 HG23 VAL 46 HG23 VAL 46 -5.645 1.455 4.083 338 H VAL 47 HN VAL 47 -1.224 3.873 4.680 339 HA VAL 47 HA VAL 47 0.747 2.605 2.906 340 HB VAL 47 HB VAL 47 0.742 5.475 3.831 341 HG11 VAL 47 HG11 VAL 47 1.858 4.171 1.362 342 HG12 VAL 47 HG12 VAL 47 2.772 4.763 2.748 343 HG13 VAL 47 HG13 VAL 47 1.901 5.898 1.716 344 HG21 VAL 47 HG21 VAL 47 -1.449 5.042 2.918 345 HG22 VAL 47 HG22 VAL 47 -0.718 4.330 1.471 346 HG23 VAL 47 HG23 VAL 47 -0.488 6.048 1.831 347 H VAL 48 HN VAL 48 0.718 4.680 5.699 348 HA VAL 48 HA VAL 48 3.410 4.511 6.375 349 HB VAL 48 HB VAL 48 0.983 5.068 8.110 350 HG11 VAL 48 HG11 VAL 48 2.916 4.523 9.486 351 HG12 VAL 48 HG12 VAL 48 2.526 6.240 9.598 352 HG13 VAL 48 HG13 VAL 48 3.885 5.706 8.609 353 HG21 VAL 48 HG21 VAL 48 1.533 7.429 7.704 354 HG22 VAL 48 HG22 VAL 48 1.151 6.568 6.212 355 HG23 VAL 48 HG23 VAL 48 2.826 6.930 6.612 356 H ALA 49 HN ALA 49 0.666 2.415 7.095 357 HA ALA 49 HA ALA 49 2.081 1.022 9.043 358 HB1 ALA 49 HB1 ALA 49 -0.331 1.144 9.170 359 HB2 ALA 49 HB2 ALA 49 0.176 -0.541 9.059 360 HB3 ALA 49 HB3 ALA 49 -0.475 0.281 7.640 361 H ALA 50 HN ALA 50 1.500 0.803 5.645 362 HA ALA 50 HA ALA 50 2.406 -1.805 5.125 363 HB1 ALA 50 HB1 ALA 50 2.515 0.657 3.335 364 HB2 ALA 50 HB2 ALA 50 1.181 -0.478 3.412 365 HB3 ALA 50 HB3 ALA 50 2.729 -0.994 2.789 366 H GLU 51 HN GLU 51 4.085 1.302 4.940 367 HA GLU 51 HA GLU 51 6.482 0.027 4.351 368 HB2 GLU 51 HB2 GLU 51 7.567 2.253 4.733 369 HB3 GLU 51 HB1 GLU 51 6.334 2.146 3.514 370 HG2 GLU 51 HG2 GLU 51 5.737 4.017 4.374 371 HG3 GLU 51 HG1 GLU 51 4.788 3.029 5.486 372 H GLU 52 HN GLU 52 5.252 1.043 7.425 373 HA GLU 52 HA GLU 52 7.518 0.508 8.983 374 HB2 GLU 52 HB2 GLU 52 4.589 0.472 9.526 375 HB3 GLU 52 HB1 GLU 52 5.714 -0.062 10.767 376 HG2 GLU 52 HG2 GLU 52 6.797 2.120 10.685 377 HG3 GLU 52 HG1 GLU 52 5.652 2.629 9.442 378 H ARG 53 HN ARG 53 5.124 -1.620 7.649 379 HA ARG 53 HA ARG 53 5.878 -3.852 9.316 380 HB2 ARG 53 HB2 ARG 53 3.556 -3.378 8.375 381 HB3 ARG 53 HB1 ARG 53 4.187 -3.929 6.833 382 HG2 ARG 53 HG2 ARG 53 4.814 -6.079 7.998 383 HG3 ARG 53 HG1 ARG 53 3.852 -5.504 9.362 384 HD2 ARG 53 HD2 ARG 53 1.990 -5.158 7.622 385 HD3 ARG 53 HD1 ARG 53 2.963 -6.197 6.589 386 HE ARG 53 HE ARG 53 1.811 -6.913 9.165 387 HH11 ARG 53 HH11 ARG 53 3.488 -8.196 6.266 388 HH12 ARG 53 HH12 ARG 53 2.540 -9.584 6.163 389 HH21 ARG 53 HH21 ARG 53 0.584 -8.941 9.050 390 HH22 ARG 53 HH22 ARG 53 0.824 -10.030 7.756 391 H PHE 54 HN PHE 54 6.458 -2.675 6.067 392 HA PHE 54 HA PHE 54 7.545 -5.238 5.309 393 HB2 PHE 54 HB2 PHE 54 7.510 -2.763 3.597 394 HB3 PHE 54 HB1 PHE 54 7.726 -4.436 3.086 395 HD1 PHE 54 HD2 PHE 54 5.605 -5.547 4.945 396 HD2 PHE 54 HD1 PHE 54 5.625 -2.327 2.195 397 HE1 PHE 54 HE2 PHE 54 3.225 -5.849 4.578 398 HE2 PHE 54 HE1 PHE 54 3.237 -2.622 1.817 399 HZ PHE 54 HZ PHE 54 1.981 -4.156 3.158 400 H ASP 55 HN ASP 55 8.778 -1.907 5.778 401 HA ASP 55 HA ASP 55 11.098 -2.211 6.889 402 HB2 ASP 55 HB2 ASP 55 11.958 -3.881 5.298 403 HB3 ASP 55 HB1 ASP 55 11.688 -2.785 3.956 404 H VAL 56 HN VAL 56 9.555 -0.726 4.157 405 HA VAL 56 HA VAL 56 11.658 1.140 3.634 406 HB VAL 56 HB VAL 56 10.329 0.055 1.826 407 HG11 VAL 56 HG11 VAL 56 8.097 0.777 1.332 408 HG12 VAL 56 HG12 VAL 56 8.067 1.693 2.839 409 HG13 VAL 56 HG13 VAL 56 8.222 -0.063 2.875 410 HG21 VAL 56 HG21 VAL 56 11.425 2.158 1.346 411 HG22 VAL 56 HG22 VAL 56 9.962 3.032 1.824 412 HG23 VAL 56 HG23 VAL 56 9.933 1.945 0.425 413 H LYS 57 HN LYS 57 11.017 3.523 3.301 414 HA LYS 57 HA LYS 57 9.164 4.475 5.355 415 HB2 LYS 57 HB2 LYS 57 11.581 4.919 5.920 416 HB3 LYS 57 HB1 LYS 57 11.717 5.741 4.370 417 HG2 LYS 57 HG2 LYS 57 11.507 7.291 6.293 418 HG3 LYS 57 HG1 LYS 57 10.267 7.498 5.062 419 HD2 LYS 57 HD2 LYS 57 9.340 7.643 7.335 420 HD3 LYS 57 HD1 LYS 57 8.668 6.283 6.440 421 HE2 LYS 57 HE2 LYS 57 9.149 5.631 8.726 422 HE3 LYS 57 HE1 LYS 57 10.209 4.771 7.615 423 HZ1 LYS 57 HZ1 LYS 57 11.362 5.576 9.577 424 HZ2 LYS 57 HZ2 LYS 57 10.987 7.180 9.181 425 HZ3 LYS 57 HZ3 LYS 57 12.002 6.268 8.182 426 H ILE 58 HN ILE 58 7.546 5.488 4.397 427 HA ILE 58 HA ILE 58 8.005 6.399 1.649 428 HB ILE 58 HB ILE 58 5.350 5.488 2.829 429 HG12 ILE 58 HG12 ILE 58 7.160 4.124 0.817 430 HG13 ILE 58 HG11 ILE 58 6.955 3.630 2.492 431 HG21 ILE 58 HG21 ILE 58 4.549 5.620 0.508 432 HG22 ILE 58 HG22 ILE 58 6.116 6.249 0.005 433 HG23 ILE 58 HG23 ILE 58 5.094 7.192 1.090 434 HD11 ILE 58 HD11 ILE 58 4.807 3.626 0.379 435 HD12 ILE 58 HD12 ILE 58 4.612 3.113 2.055 436 HD13 ILE 58 HD13 ILE 58 5.683 2.217 0.978 437 HA PRO 59 HA PRO 59 7.206 10.434 3.535 438 HB2 PRO 59 HB2 PRO 59 7.814 11.853 1.358 439 HB3 PRO 59 HB1 PRO 59 9.102 11.100 2.328 440 HG2 PRO 59 HG2 PRO 59 7.729 10.089 -0.137 441 HG3 PRO 59 HG1 PRO 59 9.494 10.238 0.141 442 HD2 PRO 59 HD2 PRO 59 8.252 7.903 0.452 443 HD3 PRO 59 HD1 PRO 59 9.489 8.412 1.626 444 H ASP 60 HN ASP 60 5.620 12.068 3.149 445 HA ASP 60 HA ASP 60 3.079 11.346 2.400 446 HB2 ASP 60 HB2 ASP 60 4.241 14.132 2.233 447 HB3 ASP 60 HB1 ASP 60 2.534 13.734 2.325 448 H ASP 61 HN ASP 61 5.506 12.928 0.438 449 HA ASP 61 HA ASP 61 3.923 13.385 -1.844 450 HB2 ASP 61 HB2 ASP 61 6.906 13.104 -1.525 451 HB3 ASP 61 HB1 ASP 61 6.160 13.399 -3.090 452 H ASP 62 HN ASP 62 6.099 10.691 -1.097 453 HA ASP 62 HA ASP 62 5.417 9.370 -3.531 454 HB2 ASP 62 HB2 ASP 62 7.010 8.466 -1.147 455 HB3 ASP 62 HB1 ASP 62 6.554 7.336 -2.410 456 H VAL 63 HN VAL 63 4.193 9.265 -0.294 457 HA VAL 63 HA VAL 63 2.610 6.997 -0.270 458 HB VAL 63 HB VAL 63 1.990 9.794 0.798 459 HG11 VAL 63 HG11 VAL 63 0.569 7.220 1.436 460 HG12 VAL 63 HG12 VAL 63 -0.099 8.580 0.534 461 HG13 VAL 63 HG13 VAL 63 0.314 8.769 2.239 462 HG21 VAL 63 HG21 VAL 63 3.921 8.737 1.832 463 HG22 VAL 63 HG22 VAL 63 2.951 7.311 2.204 464 HG23 VAL 63 HG23 VAL 63 2.582 8.857 2.972 465 H LYS 64 HN LYS 64 1.781 10.190 -1.444 466 HA LYS 64 HA LYS 64 -0.744 9.321 -2.496 467 HB2 LYS 64 HB2 LYS 64 -1.111 11.613 -3.134 468 HB3 LYS 64 HB1 LYS 64 -0.416 11.561 -1.524 469 HG2 LYS 64 HG2 LYS 64 1.821 11.987 -2.679 470 HG3 LYS 64 HG1 LYS 64 0.856 12.421 -4.091 471 HD2 LYS 64 HD2 LYS 64 -0.406 14.007 -2.533 472 HD3 LYS 64 HD1 LYS 64 0.908 13.694 -1.389 473 HE2 LYS 64 HE2 LYS 64 1.385 15.714 -2.591 474 HE3 LYS 64 HE1 LYS 64 2.528 14.458 -3.065 475 HZ1 LYS 64 HZ1 LYS 64 1.230 14.097 -5.103 476 HZ2 LYS 64 HZ2 LYS 64 1.681 15.717 -4.982 477 HZ3 LYS 64 HZ3 LYS 64 0.112 15.242 -4.580 478 H ASN 65 HN ASN 65 2.253 8.810 -3.724 479 HA ASN 65 HA ASN 65 1.612 9.242 -6.549 480 HB2 ASN 65 HB2 ASN 65 4.002 8.312 -5.055 481 HB3 ASN 65 HB1 ASN 65 3.850 7.997 -6.745 482 HD21 ASN 65 HD21 ASN 65 2.682 11.006 -5.362 483 HD22 ASN 65 HD22 ASN 65 3.891 12.003 -6.082 484 H LEU 66 HN LEU 66 1.484 6.931 -4.090 485 HA LEU 66 HA LEU 66 1.560 4.677 -5.856 486 HB2 LEU 66 HB2 LEU 66 0.857 4.797 -2.912 487 HB3 LEU 66 HB1 LEU 66 1.287 3.374 -3.834 488 HG LEU 66 HG LEU 66 3.108 5.593 -2.920 489 HD11 LEU 66 HD11 LEU 66 3.063 2.650 -2.273 490 HD12 LEU 66 HD12 LEU 66 2.613 3.963 -1.203 491 HD13 LEU 66 HD13 LEU 66 4.286 3.791 -1.742 492 HD21 LEU 66 HD21 LEU 66 3.776 3.269 -4.728 493 HD22 LEU 66 HD22 LEU 66 4.941 4.387 -4.024 494 HD23 LEU 66 HD23 LEU 66 3.751 4.973 -5.187 495 H LYS 67 HN LYS 67 -0.191 4.244 -6.837 496 HA LYS 67 HA LYS 67 -2.722 5.278 -5.727 497 HB2 LYS 67 HB2 LYS 67 -2.142 4.495 -8.575 498 HB3 LYS 67 HB1 LYS 67 -3.618 5.221 -7.947 499 HG2 LYS 67 HG2 LYS 67 -2.420 7.256 -7.419 500 HG3 LYS 67 HG1 LYS 67 -0.912 6.525 -7.983 501 HD2 LYS 67 HD2 LYS 67 -1.713 7.846 -9.764 502 HD3 LYS 67 HD1 LYS 67 -2.026 6.131 -10.123 503 HE2 LYS 67 HE2 LYS 67 -4.351 6.358 -9.492 504 HE3 LYS 67 HE1 LYS 67 -4.085 8.031 -9.006 505 HZ1 LYS 67 HZ1 LYS 67 -3.661 8.601 -11.316 506 HZ2 LYS 67 HZ2 LYS 67 -5.139 7.777 -11.190 507 HZ3 LYS 67 HZ3 LYS 67 -3.806 6.983 -11.774 508 H THR 68 HN THR 68 -1.213 2.644 -7.486 509 HA THR 68 HA THR 68 -3.376 1.000 -6.563 510 HB THR 68 HB THR 68 -2.734 -0.612 -8.192 511 HG1 THR 68 HG1 THR 68 -0.708 1.217 -9.009 512 HG21 THR 68 HG21 THR 68 -3.109 0.652 -10.284 513 HG22 THR 68 HG22 THR 68 -2.773 2.155 -9.423 514 HG23 THR 68 HG23 THR 68 -4.184 1.187 -8.993 515 H VAL 69 HN VAL 69 -2.560 -1.325 -6.079 516 HA VAL 69 HA VAL 69 -0.479 -1.160 -4.130 517 HB VAL 69 HB VAL 69 -1.589 -3.720 -5.234 518 HG11 VAL 69 HG11 VAL 69 0.253 -3.940 -3.679 519 HG12 VAL 69 HG12 VAL 69 -1.231 -4.567 -2.964 520 HG13 VAL 69 HG13 VAL 69 -0.614 -2.985 -2.480 521 HG21 VAL 69 HG21 VAL 69 -2.910 -1.904 -3.244 522 HG22 VAL 69 HG22 VAL 69 -3.428 -3.570 -3.619 523 HG23 VAL 69 HG23 VAL 69 -3.454 -2.317 -4.871 524 H GLY 70 HN GLY 70 -0.712 -1.547 -7.396 525 HA2 GLY 70 HA2 GLY 70 1.616 -3.184 -7.837 526 HA3 GLY 70 HA1 GLY 70 0.869 -2.121 -9.033 527 H ASP 71 HN ASP 71 0.903 0.167 -7.757 528 HA ASP 71 HA ASP 71 3.531 1.140 -8.260 529 HB2 ASP 71 HB2 ASP 71 1.297 2.537 -6.784 530 HB3 ASP 71 HB1 ASP 71 2.697 3.302 -7.511 531 H ALA 72 HN ALA 72 1.578 0.750 -5.369 532 HA ALA 72 HA ALA 72 3.269 1.765 -3.424 533 HB1 ALA 72 HB1 ALA 72 2.085 0.385 -1.849 534 HB2 ALA 72 HB2 ALA 72 1.562 -0.687 -3.115 535 HB3 ALA 72 HB3 ALA 72 0.914 0.966 -3.048 536 H THR 73 HN THR 73 2.845 -1.575 -4.216 537 HA THR 73 HA THR 73 4.764 -2.571 -2.662 538 HB THR 73 HB THR 73 3.792 -3.670 -5.274 539 HG1 THR 73 HG1 THR 73 2.039 -3.585 -4.109 540 HG21 THR 73 HG21 THR 73 5.018 -4.953 -2.879 541 HG22 THR 73 HG22 THR 73 5.793 -4.749 -4.454 542 HG23 THR 73 HG23 THR 73 4.379 -5.824 -4.286 543 H LYS 74 HN LYS 74 5.120 -1.808 -6.134 544 HA LYS 74 HA LYS 74 7.730 -2.636 -6.509 545 HB2 LYS 74 HB2 LYS 74 5.874 -0.740 -7.678 546 HB3 LYS 74 HB1 LYS 74 7.573 -0.467 -8.074 547 HG2 LYS 74 HG2 LYS 74 6.497 -1.784 -9.838 548 HG3 LYS 74 HG1 LYS 74 7.714 -2.735 -8.991 549 HD2 LYS 74 HD2 LYS 74 6.005 -3.909 -7.765 550 HD3 LYS 74 HD1 LYS 74 4.756 -2.849 -8.419 551 HE2 LYS 74 HE2 LYS 74 6.468 -4.751 -10.024 552 HE3 LYS 74 HE1 LYS 74 4.798 -5.032 -9.538 553 HZ1 LYS 74 HZ1 LYS 74 5.767 -2.923 -11.423 554 HZ2 LYS 74 HZ2 LYS 74 4.206 -2.996 -10.830 555 HZ3 LYS 74 HZ3 LYS 74 4.780 -4.237 -11.784 556 H TYR 75 HN TYR 75 6.393 0.465 -5.503 557 HA TYR 75 HA TYR 75 8.732 1.910 -5.289 558 HB2 TYR 75 HB2 TYR 75 6.407 2.833 -5.142 559 HB3 TYR 75 HB1 TYR 75 6.293 2.086 -3.599 560 HD1 TYR 75 HD1 TYR 75 8.690 4.457 -5.223 561 HD2 TYR 75 HD2 TYR 75 6.718 3.178 -1.683 562 HE1 TYR 75 HE1 TYR 75 9.821 6.228 -3.951 563 HE2 TYR 75 HE2 TYR 75 7.806 4.918 -0.416 564 HH TYR 75 HH TYR 75 9.430 7.508 -1.822 565 H ILE 76 HN ILE 76 6.939 0.193 -2.860 566 HA ILE 76 HA ILE 76 8.426 0.665 -0.614 567 HB ILE 76 HB ILE 76 6.802 -1.738 -1.447 568 HG12 ILE 76 HG12 ILE 76 6.171 0.389 0.561 569 HG13 ILE 76 HG11 ILE 76 5.845 0.590 -1.159 570 HG21 ILE 76 HG21 ILE 76 8.385 -2.443 0.288 571 HG22 ILE 76 HG22 ILE 76 6.736 -2.380 0.910 572 HG23 ILE 76 HG23 ILE 76 7.876 -1.091 1.299 573 HD11 ILE 76 HD11 ILE 76 4.474 -1.347 -1.140 574 HD12 ILE 76 HD12 ILE 76 3.877 -0.180 0.056 575 HD13 ILE 76 HD13 ILE 76 4.791 -1.626 0.575 576 H LEU 77 HN LEU 77 8.624 -2.344 -2.566 577 HA LEU 77 HA LEU 77 10.797 -3.523 -1.426 578 HB2 LEU 77 HB2 LEU 77 9.024 -4.287 -3.070 579 HB3 LEU 77 HB1 LEU 77 9.982 -3.545 -4.317 580 HG LEU 77 HG LEU 77 10.781 -5.924 -2.638 581 HD11 LEU 77 HD11 LEU 77 9.826 -5.565 -5.439 582 HD12 LEU 77 HD12 LEU 77 8.961 -6.350 -4.118 583 HD13 LEU 77 HD13 LEU 77 10.432 -7.093 -4.786 584 HD21 LEU 77 HD21 LEU 77 12.614 -6.197 -4.239 585 HD22 LEU 77 HD22 LEU 77 12.752 -4.631 -3.432 586 HD23 LEU 77 HD23 LEU 77 12.125 -4.723 -5.075 587 H ASP 78 HN ASP 78 10.527 -1.237 -4.083 588 HA ASP 78 HA ASP 78 13.111 -1.244 -5.193 589 HB2 ASP 78 HB2 ASP 78 10.965 -0.074 -6.094 590 HB3 ASP 78 HB1 ASP 78 11.324 1.131 -4.914 591 H HIS 79 HN HIS 79 11.643 0.543 -2.651 592 HA HIS 79 HA HIS 79 13.928 2.267 -2.289 593 HB2 HIS 79 HB2 HIS 79 11.273 2.614 -2.140 594 HB3 HIS 79 HB1 HIS 79 11.651 2.316 -0.455 595 HD1 HIS 79 HD1 HIS 79 12.890 4.209 0.823 596 HD2 HIS 79 HD2 HIS 79 12.243 4.902 -3.214 597 HE1 HIS 79 HE1 HIS 79 13.259 6.650 0.520 598 HE2 HIS 79 HE2 HIS 79 12.421 7.082 -1.792 599 H GLN 80 HN GLN 80 12.804 -0.778 -0.988 600 HA GLN 80 HA GLN 80 14.034 -0.403 1.625 601 HB2 GLN 80 HB2 GLN 80 13.604 -3.049 0.436 602 HB3 GLN 80 HB1 GLN 80 13.555 -2.565 2.113 603 HG2 GLN 80 HG2 GLN 80 11.433 -1.492 1.747 604 HG3 GLN 80 HG1 GLN 80 11.448 -2.021 0.062 605 HE21 GLN 80 HE21 GLN 80 9.455 -2.711 1.750 606 HE22 GLN 80 HE22 GLN 80 9.503 -4.418 2.085 607 H ALA 81 HN ALA 81 14.539 -2.034 -1.201 608 HA ALA 81 HA ALA 81 17.283 -2.600 -0.411 609 HB1 ALA 81 HB1 ALA 81 17.239 -4.550 -1.911 610 HB2 ALA 81 HB2 ALA 81 15.579 -4.144 -2.363 611 HB3 ALA 81 HB3 ALA 81 15.952 -4.604 -0.703 612 H1 SYO 101 H1A SYO 101 -3.662 7.064 0.346 613 H1A SYO 101 H1B SYO 101 -1.959 7.037 0.874 614 H2 SYO 101 H2A SYO 101 -1.201 7.158 -1.268 615 H2A SYO 101 H2B SYO 101 -2.755 7.659 -1.938 616 H4 SYO 101 H4A SYO 101 -0.546 5.208 -1.579 617 H4A SYO 101 H4B SYO 101 -1.593 4.300 -2.668 618 H5 SYO 101 H5A SYO 101 -2.098 2.717 -1.074 619 H5A SYO 101 H5B SYO 101 -1.826 3.843 0.266 620 H6 SYO 101 H6A SYO 101 0.582 3.783 -0.202 621 H6A SYO 101 H6B SYO 101 0.295 2.626 -1.500 622 H7 SYO 101 H7A SYO 101 -0.539 0.996 0.080 623 H7A SYO 101 H7B SYO 101 -0.357 2.167 1.403 624 H8 SYO 101 H8C SYO 101 1.529 0.606 1.301 625 H8A SYO 101 H8A SYO 101 2.044 2.258 0.959 626 H8B SYO 101 H8B SYO 101 1.848 1.102 -0.361 627 H28 SYO 101 H28A SYO 101 -8.442 10.487 -1.943 628 H28A SYO 101 H28B SYO 101 -7.388 9.196 -2.501 629 H30 SYO 101 H30A SYO 101 -10.169 10.826 -4.257 630 H30A SYO 101 H30B SYO 101 -9.161 11.845 -5.292 631 H30B SYO 101 H30C SYO 101 -9.209 12.120 -3.544 632 H31 SYO 101 H31A SYO 101 -6.645 11.626 -5.154 633 H31A SYO 101 H31B SYO 101 -5.958 10.494 -3.985 634 H31B SYO 101 H31C SYO 101 -6.776 11.950 -3.422 635 H32 SYO 101 H32A SYO 101 -8.973 8.676 -5.164 636 HO33 SYO 101 H33A SYO 101 -7.373 9.525 -6.993 637 HN36 SYO 101 H36A SYO 101 -7.312 8.006 -3.516 638 H37 SYO 101 H37A SYO 101 -5.579 6.614 -2.917 639 H37A SYO 101 H37B SYO 101 -5.761 5.898 -4.535 640 H38 SYO 101 H38A SYO 101 -3.462 6.736 -3.914 641 H38A SYO 101 H38B SYO 101 -4.095 7.460 -5.396 642 HN41 SYO 101 H41A SYO 101 -4.666 8.077 -2.037 643 H42 SYO 101 H42A SYO 101 -3.305 10.637 -1.981 644 H42A SYO 101 H42B SYO 101 -5.048 10.683 -1.928 645 H43 SYO 101 H43A SYO 101 -4.996 9.080 -0.039 646 H43A SYO 101 H43B SYO 101 -4.498 10.738 0.266 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 12.623 -7.720 5.013 2 H2 ALA 1 HT2 ALA 1 13.032 -6.215 5.617 3 H3 ALA 1 HT3 ALA 1 14.244 -7.258 5.069 4 HA ALA 1 HA ALA 1 12.193 -5.878 3.420 5 HB1 ALA 1 HB1 ALA 1 15.215 -5.853 3.362 6 HB2 ALA 1 HB2 ALA 1 14.187 -4.557 3.976 7 HB3 ALA 1 HB3 ALA 1 14.148 -4.978 2.262 8 H ALA 2 HN ALA 2 11.252 -7.521 2.362 9 HA ALA 2 HA ALA 2 13.071 -9.537 1.250 10 HB1 ALA 2 HB1 ALA 2 11.256 -11.141 1.242 11 HB2 ALA 2 HB2 ALA 2 10.138 -9.913 1.838 12 HB3 ALA 2 HB3 ALA 2 11.469 -10.463 2.857 13 H THR 3 HN THR 3 9.735 -9.025 0.245 14 HA THR 3 HA THR 3 10.327 -7.658 -2.132 15 HB THR 3 HB THR 3 11.465 -9.788 -2.745 16 HG1 THR 3 HG1 THR 3 10.758 -9.270 -4.661 17 HG21 THR 3 HG21 THR 3 10.152 -11.856 -3.057 18 HG22 THR 3 HG22 THR 3 8.745 -11.061 -2.351 19 HG23 THR 3 HG23 THR 3 10.179 -11.352 -1.367 20 H GLN 4 HN GLN 4 8.458 -8.415 -3.704 21 HA GLN 4 HA GLN 4 6.145 -7.197 -2.865 22 HB2 GLN 4 HB2 GLN 4 6.601 -7.414 -5.168 23 HB3 GLN 4 HB1 GLN 4 6.591 -9.164 -5.084 24 HG2 GLN 4 HG2 GLN 4 4.099 -7.814 -4.317 25 HG3 GLN 4 HG1 GLN 4 4.546 -7.649 -6.000 26 HE21 GLN 4 HE21 GLN 4 3.309 -9.772 -3.532 27 HE22 GLN 4 HE22 GLN 4 3.113 -11.150 -4.548 28 H GLU 5 HN GLU 5 6.784 -10.670 -2.815 29 HA GLU 5 HA GLU 5 4.202 -11.469 -2.075 30 HB2 GLU 5 HB2 GLU 5 6.886 -12.763 -1.820 31 HB3 GLU 5 HB1 GLU 5 5.439 -13.542 -1.198 32 HG2 GLU 5 HG2 GLU 5 5.760 -12.627 -4.044 33 HG3 GLU 5 HG1 GLU 5 6.087 -14.270 -3.479 34 H GLU 6 HN GLU 6 6.711 -10.124 -0.197 35 HA GLU 6 HA GLU 6 5.478 -10.777 2.354 36 HB2 GLU 6 HB2 GLU 6 7.949 -10.626 2.055 37 HB3 GLU 6 HB1 GLU 6 7.764 -8.947 1.596 38 HG2 GLU 6 HG2 GLU 6 8.552 -9.140 3.854 39 HG3 GLU 6 HG1 GLU 6 6.948 -8.421 3.820 40 H ILE 7 HN ILE 7 5.650 -8.162 0.007 41 HA ILE 7 HA ILE 7 4.759 -6.124 1.800 42 HB ILE 7 HB ILE 7 5.098 -6.213 -1.198 43 HG12 ILE 7 HG12 ILE 7 6.786 -4.870 0.897 44 HG13 ILE 7 HG11 ILE 7 7.116 -6.496 0.318 45 HG21 ILE 7 HG21 ILE 7 4.969 -3.764 -1.089 46 HG22 ILE 7 HG22 ILE 7 4.607 -3.858 0.633 47 HG23 ILE 7 HG23 ILE 7 3.463 -4.505 -0.543 48 HD11 ILE 7 HD11 ILE 7 7.044 -3.998 -1.347 49 HD12 ILE 7 HD12 ILE 7 7.427 -5.624 -1.927 50 HD13 ILE 7 HD13 ILE 7 8.492 -4.817 -0.764 51 H VAL 8 HN VAL 8 3.347 -7.343 -1.220 52 HA VAL 8 HA VAL 8 0.800 -6.283 -0.880 53 HB VAL 8 HB VAL 8 1.568 -8.846 -2.300 54 HG11 VAL 8 HG11 VAL 8 -0.427 -8.470 -3.687 55 HG12 VAL 8 HG12 VAL 8 -0.841 -7.067 -2.702 56 HG13 VAL 8 HG13 VAL 8 -0.855 -8.677 -1.988 57 HG21 VAL 8 HG21 VAL 8 1.690 -7.469 -4.319 58 HG22 VAL 8 HG22 VAL 8 2.861 -6.982 -3.090 59 HG23 VAL 8 HG23 VAL 8 1.400 -6.034 -3.335 60 H ALA 9 HN ALA 9 1.934 -9.419 0.182 61 HA ALA 9 HA ALA 9 -0.481 -10.331 1.139 62 HB1 ALA 9 HB1 ALA 9 1.480 -11.739 0.872 63 HB2 ALA 9 HB2 ALA 9 0.819 -11.875 2.504 64 HB3 ALA 9 HB3 ALA 9 2.269 -10.912 2.216 65 H GLY 10 HN GLY 10 1.902 -8.129 2.644 66 HA2 GLY 10 HA2 GLY 10 0.688 -8.296 5.181 67 HA3 GLY 10 HA1 GLY 10 2.079 -7.342 4.724 68 H LEU 11 HN LEU 11 0.931 -6.122 2.520 69 HA LEU 11 HA LEU 11 -0.194 -3.853 3.739 70 HB2 LEU 11 HB2 LEU 11 1.063 -4.469 1.383 71 HB3 LEU 11 HB1 LEU 11 -0.585 -4.246 0.860 72 HG LEU 11 HG LEU 11 1.092 -2.166 2.297 73 HD11 LEU 11 HD11 LEU 11 0.202 -2.380 -0.568 74 HD12 LEU 11 HD12 LEU 11 1.845 -2.600 0.035 75 HD13 LEU 11 HD13 LEU 11 1.064 -1.024 0.155 76 HD21 LEU 11 HD21 LEU 11 -0.732 -0.657 1.766 77 HD22 LEU 11 HD22 LEU 11 -1.274 -1.970 2.817 78 HD23 LEU 11 HD23 LEU 11 -1.658 -2.003 1.099 79 H ALA 12 HN ALA 12 -1.456 -6.594 1.933 80 HA ALA 12 HA ALA 12 -4.147 -5.874 1.696 81 HB1 ALA 12 HB1 ALA 12 -3.188 -7.832 0.598 82 HB2 ALA 12 HB2 ALA 12 -4.585 -8.254 1.600 83 HB3 ALA 12 HB3 ALA 12 -2.957 -8.590 2.178 84 H GLU 13 HN GLU 13 -2.379 -7.481 4.308 85 HA GLU 13 HA GLU 13 -4.601 -7.940 5.942 86 HB2 GLU 13 HB2 GLU 13 -1.689 -7.724 6.667 87 HB3 GLU 13 HB1 GLU 13 -2.946 -8.276 7.768 88 HG2 GLU 13 HG2 GLU 13 -3.446 -10.133 6.365 89 HG3 GLU 13 HG1 GLU 13 -2.331 -9.557 5.131 90 H ILE 14 HN ILE 14 -2.413 -5.288 5.748 91 HA ILE 14 HA ILE 14 -3.399 -3.787 7.941 92 HB ILE 14 HB ILE 14 -2.360 -2.712 5.282 93 HG12 ILE 14 HG12 ILE 14 -0.812 -3.114 7.834 94 HG13 ILE 14 HG11 ILE 14 -0.918 -4.364 6.602 95 HG21 ILE 14 HG21 ILE 14 -3.517 -1.020 6.604 96 HG22 ILE 14 HG22 ILE 14 -1.779 -0.721 6.552 97 HG23 ILE 14 HG23 ILE 14 -2.513 -1.419 8.001 98 HD11 ILE 14 HD11 ILE 14 0.038 -2.897 5.001 99 HD12 ILE 14 HD12 ILE 14 1.100 -3.126 6.394 100 HD13 ILE 14 HD13 ILE 14 0.185 -1.611 6.208 101 H VAL 15 HN VAL 15 -4.455 -4.081 4.627 102 HA VAL 15 HA VAL 15 -6.401 -2.003 4.711 103 HB VAL 15 HB VAL 15 -5.879 -4.201 2.677 104 HG11 VAL 15 HG11 VAL 15 -8.197 -3.488 2.552 105 HG12 VAL 15 HG12 VAL 15 -7.268 -2.950 1.152 106 HG13 VAL 15 HG13 VAL 15 -7.675 -1.808 2.436 107 HG21 VAL 15 HG21 VAL 15 -4.113 -2.583 2.878 108 HG22 VAL 15 HG22 VAL 15 -5.270 -1.265 2.667 109 HG23 VAL 15 HG23 VAL 15 -4.962 -2.402 1.342 110 H ASN 16 HN ASN 16 -6.354 -5.299 5.476 111 HA ASN 16 HA ASN 16 -9.160 -5.874 5.387 112 HB2 ASN 16 HB2 ASN 16 -7.251 -7.168 7.395 113 HB3 ASN 16 HB1 ASN 16 -8.768 -7.748 6.778 114 HD21 ASN 16 HD21 ASN 16 -8.351 -7.337 4.080 115 HD22 ASN 16 HD22 ASN 16 -7.035 -8.423 3.650 116 H GLU 17 HN GLU 17 -6.965 -4.773 7.865 117 HA GLU 17 HA GLU 17 -8.928 -4.590 9.911 118 HB2 GLU 17 HB2 GLU 17 -6.149 -3.452 9.739 119 HB3 GLU 17 HB1 GLU 17 -7.128 -3.564 11.197 120 HG2 GLU 17 HG2 GLU 17 -6.240 -5.905 9.541 121 HG3 GLU 17 HG1 GLU 17 -5.448 -5.356 11.026 122 H ILE 18 HN ILE 18 -7.169 -2.188 8.004 123 HA ILE 18 HA ILE 18 -8.271 0.139 9.107 124 HB ILE 18 HB ILE 18 -7.218 -0.384 6.316 125 HG12 ILE 18 HG12 ILE 18 -5.651 -0.707 8.265 126 HG13 ILE 18 HG11 ILE 18 -5.109 0.444 7.062 127 HG21 ILE 18 HG21 ILE 18 -8.624 1.556 6.236 128 HG22 ILE 18 HG22 ILE 18 -6.929 2.025 6.084 129 HG23 ILE 18 HG23 ILE 18 -7.776 2.264 7.611 130 HD11 ILE 18 HD11 ILE 18 -6.303 1.023 9.780 131 HD12 ILE 18 HD12 ILE 18 -5.853 2.250 8.589 132 HD13 ILE 18 HD13 ILE 18 -4.614 1.211 9.284 133 H ALA 19 HN ALA 19 -9.290 -1.645 6.178 134 HA ALA 19 HA ALA 19 -11.732 -0.002 6.136 135 HB1 ALA 19 HB1 ALA 19 -10.416 -1.460 3.857 136 HB2 ALA 19 HB2 ALA 19 -10.308 0.272 4.172 137 HB3 ALA 19 HB3 ALA 19 -11.861 -0.455 3.754 138 H GLY 20 HN GLY 20 -10.630 -3.182 5.131 139 HA2 GLY 20 HA2 GLY 20 -11.901 -5.021 6.395 140 HA3 GLY 20 HA1 GLY 20 -13.330 -4.241 5.741 141 H ILE 21 HN ILE 21 -10.392 -4.493 3.976 142 HA ILE 21 HA ILE 21 -11.698 -5.912 1.891 143 HB ILE 21 HB ILE 21 -9.095 -4.726 2.370 144 HG12 ILE 21 HG12 ILE 21 -9.326 -3.956 0.005 145 HG13 ILE 21 HG11 ILE 21 -10.809 -4.900 -0.096 146 HG21 ILE 21 HG21 ILE 21 -8.139 -6.844 1.899 147 HG22 ILE 21 HG22 ILE 21 -7.877 -5.811 0.504 148 HG23 ILE 21 HG23 ILE 21 -9.133 -7.046 0.459 149 HD11 ILE 21 HD11 ILE 21 -11.272 -2.544 0.276 150 HD12 ILE 21 HD12 ILE 21 -10.317 -2.577 1.758 151 HD13 ILE 21 HD13 ILE 21 -11.806 -3.516 1.648 152 HA PRO 22 HA PRO 22 -10.877 -9.977 3.313 153 HB2 PRO 22 HB2 PRO 22 -11.184 -10.943 0.658 154 HB3 PRO 22 HB1 PRO 22 -12.378 -10.909 2.021 155 HG2 PRO 22 HG2 PRO 22 -12.553 -9.483 -0.327 156 HG3 PRO 22 HG1 PRO 22 -13.346 -8.985 1.194 157 HD2 PRO 22 HD2 PRO 22 -10.778 -8.113 -0.061 158 HD3 PRO 22 HD1 PRO 22 -12.025 -7.146 0.760 159 H VAL 23 HN VAL 23 -8.490 -8.605 2.303 160 HA VAL 23 HA VAL 23 -6.292 -8.937 1.997 161 HB VAL 23 HB VAL 23 -6.804 -10.503 3.933 162 HG11 VAL 23 HG11 VAL 23 -6.267 -12.873 3.695 163 HG12 VAL 23 HG12 VAL 23 -6.229 -12.665 1.944 164 HG13 VAL 23 HG13 VAL 23 -7.729 -12.394 2.831 165 HG21 VAL 23 HG21 VAL 23 -4.497 -11.341 4.096 166 HG22 VAL 23 HG22 VAL 23 -4.593 -9.650 3.591 167 HG23 VAL 23 HG23 VAL 23 -4.253 -10.909 2.402 168 H GLU 24 HN GLU 24 -8.240 -10.628 -0.116 169 HA GLU 24 HA GLU 24 -5.873 -11.272 -1.726 170 HB2 GLU 24 HB2 GLU 24 -8.605 -12.479 -1.731 171 HB3 GLU 24 HB1 GLU 24 -7.378 -12.859 -2.947 172 HG2 GLU 24 HG2 GLU 24 -5.899 -13.617 -1.105 173 HG3 GLU 24 HG1 GLU 24 -7.228 -13.342 0.020 174 H ASP 25 HN ASP 25 -8.216 -9.047 -1.478 175 HA ASP 25 HA ASP 25 -8.658 -8.623 -4.316 176 HB2 ASP 25 HB2 ASP 25 -9.438 -7.057 -1.867 177 HB3 ASP 25 HB1 ASP 25 -9.694 -6.432 -3.491 178 H VAL 26 HN VAL 26 -6.685 -7.605 -1.819 179 HA VAL 26 HA VAL 26 -5.504 -5.317 -3.123 180 HB VAL 26 HB VAL 26 -4.344 -7.003 -0.862 181 HG11 VAL 26 HG11 VAL 26 -3.722 -4.181 -1.719 182 HG12 VAL 26 HG12 VAL 26 -2.649 -5.578 -1.858 183 HG13 VAL 26 HG13 VAL 26 -3.125 -4.972 -0.261 184 HG21 VAL 26 HG21 VAL 26 -6.043 -4.530 -0.715 185 HG22 VAL 26 HG22 VAL 26 -5.260 -5.332 0.651 186 HG23 VAL 26 HG23 VAL 26 -6.524 -6.164 -0.257 187 H LYS 27 HN LYS 27 -4.960 -6.021 -5.150 188 HA LYS 27 HA LYS 27 -2.701 -7.904 -5.350 189 HB2 LYS 27 HB2 LYS 27 -5.127 -8.424 -6.374 190 HB3 LYS 27 HB1 LYS 27 -4.557 -7.258 -7.572 191 HG2 LYS 27 HG2 LYS 27 -4.158 -9.462 -8.387 192 HG3 LYS 27 HG1 LYS 27 -2.617 -8.682 -8.017 193 HD2 LYS 27 HD2 LYS 27 -2.564 -10.969 -7.226 194 HD3 LYS 27 HD1 LYS 27 -2.579 -9.870 -5.849 195 HE2 LYS 27 HE2 LYS 27 -4.069 -11.770 -5.469 196 HE3 LYS 27 HE1 LYS 27 -4.981 -10.265 -5.555 197 HZ1 LYS 27 HZ1 LYS 27 -4.703 -12.224 -7.786 198 HZ2 LYS 27 HZ2 LYS 27 -5.628 -10.801 -7.807 199 HZ3 LYS 27 HZ3 LYS 27 -6.060 -12.048 -6.791 200 H LEU 28 HN LEU 28 -1.230 -7.212 -7.115 201 HA LEU 28 HA LEU 28 -0.626 -4.481 -7.141 202 HB2 LEU 28 HB2 LEU 28 0.079 -6.611 -9.164 203 HB3 LEU 28 HB1 LEU 28 0.834 -5.040 -9.028 204 HG LEU 28 HG LEU 28 0.958 -7.176 -6.905 205 HD11 LEU 28 HD11 LEU 28 2.083 -7.888 -8.934 206 HD12 LEU 28 HD12 LEU 28 3.253 -7.509 -7.669 207 HD13 LEU 28 HD13 LEU 28 2.975 -6.368 -8.987 208 HD21 LEU 28 HD21 LEU 28 1.243 -4.866 -6.098 209 HD22 LEU 28 HD22 LEU 28 2.562 -4.653 -7.260 210 HD23 LEU 28 HD23 LEU 28 2.713 -5.826 -5.956 211 H ASP 29 HN ASP 29 -0.993 -2.905 -8.451 212 HA ASP 29 HA ASP 29 -1.927 -1.523 -9.921 213 HB2 ASP 29 HB2 ASP 29 -1.315 -3.401 -11.560 214 HB3 ASP 29 HB1 ASP 29 -3.019 -3.828 -11.522 215 H LYS 30 HN LYS 30 -3.386 -3.055 -7.726 216 HA LYS 30 HA LYS 30 -6.086 -2.261 -8.510 217 HB2 LYS 30 HB2 LYS 30 -5.196 -3.777 -6.060 218 HB3 LYS 30 HB1 LYS 30 -6.777 -3.073 -6.457 219 HG2 LYS 30 HG2 LYS 30 -5.545 -5.094 -8.272 220 HG3 LYS 30 HG1 LYS 30 -6.412 -5.562 -6.794 221 HD2 LYS 30 HD2 LYS 30 -8.369 -4.295 -7.551 222 HD3 LYS 30 HD1 LYS 30 -7.514 -3.873 -9.036 223 HE2 LYS 30 HE2 LYS 30 -7.437 -6.152 -9.713 224 HE3 LYS 30 HE1 LYS 30 -8.070 -6.689 -8.156 225 HZ1 LYS 30 HZ1 LYS 30 -9.581 -5.001 -10.100 226 HZ2 LYS 30 HZ2 LYS 30 -10.158 -5.617 -8.642 227 HZ3 LYS 30 HZ3 LYS 30 -9.742 -6.671 -9.909 228 H SER 31 HN SER 31 -6.812 -0.654 -7.849 229 HA SER 31 HA SER 31 -5.345 1.289 -6.316 230 HB2 SER 31 HB2 SER 31 -8.119 1.419 -7.415 231 HB3 SER 31 HB1 SER 31 -7.086 2.805 -7.002 232 HG SER 31 HG SER 31 -6.945 0.938 -9.076 233 H PHE 32 HN PHE 32 -5.413 1.007 -4.264 234 HA PHE 32 HA PHE 32 -7.045 -0.278 -2.559 235 HB2 PHE 32 HB2 PHE 32 -5.656 2.336 -2.081 236 HB3 PHE 32 HB1 PHE 32 -6.288 1.291 -0.829 237 HD1 PHE 32 HD2 PHE 32 -5.117 -0.822 -0.276 238 HD2 PHE 32 HD1 PHE 32 -3.595 1.887 -3.187 239 HE1 PHE 32 HE2 PHE 32 -2.971 -1.900 -0.150 240 HE2 PHE 32 HE1 PHE 32 -1.411 0.804 -3.037 241 HZ PHE 32 HZ PHE 32 -1.088 -1.093 -1.508 242 H THR 33 HN THR 33 -7.379 3.266 -2.993 243 HA THR 33 HA THR 33 -10.058 3.054 -1.928 244 HB THR 33 HB THR 33 -8.653 4.761 -0.947 245 HG1 THR 33 HG1 THR 33 -10.821 5.755 -2.447 246 HG21 THR 33 HG21 THR 33 -7.930 6.762 -2.186 247 HG22 THR 33 HG22 THR 33 -8.553 6.054 -3.673 248 HG23 THR 33 HG23 THR 33 -7.202 5.290 -2.833 249 H ASP 34 HN ASP 34 -9.623 2.026 -4.552 250 HA ASP 34 HA ASP 34 -11.862 3.392 -5.850 251 HB2 ASP 34 HB2 ASP 34 -9.969 4.443 -6.999 252 HB3 ASP 34 HB1 ASP 34 -9.250 2.885 -7.298 253 H ASP 35 HN ASP 35 -9.523 0.811 -6.321 254 HA ASP 35 HA ASP 35 -11.426 -0.937 -7.611 255 HB2 ASP 35 HB2 ASP 35 -8.542 -1.085 -6.877 256 HB3 ASP 35 HB1 ASP 35 -9.309 -2.560 -7.348 257 H LEU 36 HN LEU 36 -9.521 -0.884 -4.640 258 HA LEU 36 HA LEU 36 -10.573 -3.361 -3.631 259 HB2 LEU 36 HB2 LEU 36 -9.199 -1.207 -2.087 260 HB3 LEU 36 HB1 LEU 36 -9.316 -2.871 -1.634 261 HG LEU 36 HG LEU 36 -7.593 -1.605 -3.687 262 HD11 LEU 36 HD11 LEU 36 -6.896 -1.627 -1.425 263 HD12 LEU 36 HD12 LEU 36 -5.889 -2.767 -2.351 264 HD13 LEU 36 HD13 LEU 36 -7.213 -3.348 -1.311 265 HD21 LEU 36 HD21 LEU 36 -8.585 -3.554 -4.711 266 HD22 LEU 36 HD22 LEU 36 -8.090 -4.545 -3.321 267 HD23 LEU 36 HD23 LEU 36 -6.872 -3.781 -4.365 268 H ASP 37 HN ASP 37 -10.920 0.022 -2.811 269 HA ASP 37 HA ASP 37 -12.607 1.238 -2.069 270 HB2 ASP 37 HB2 ASP 37 -14.346 -0.385 -2.786 271 HB3 ASP 37 HB1 ASP 37 -13.993 -1.279 -1.291 272 H VAL 38 HN VAL 38 -10.594 1.281 -0.935 273 HA VAL 38 HA VAL 38 -10.976 0.791 1.942 274 HB VAL 38 HB VAL 38 -8.532 1.931 0.579 275 HG11 VAL 38 HG11 VAL 38 -8.869 0.564 3.244 276 HG12 VAL 38 HG12 VAL 38 -8.626 2.289 2.972 277 HG13 VAL 38 HG13 VAL 38 -7.343 1.145 2.576 278 HG21 VAL 38 HG21 VAL 38 -7.542 -0.302 0.624 279 HG22 VAL 38 HG22 VAL 38 -8.956 -0.218 -0.428 280 HG23 VAL 38 HG23 VAL 38 -9.084 -0.966 1.164 281 H ASP 39 HN ASP 39 -11.128 2.549 3.309 282 HA ASP 39 HA ASP 39 -12.117 4.969 2.330 283 HB2 ASP 39 HB2 ASP 39 -10.918 4.332 5.011 284 HB3 ASP 39 HB1 ASP 39 -11.598 5.903 4.621 285 H SER 40 HN SER 40 -11.005 6.160 1.004 286 HA SER 40 HA SER 40 -8.586 6.928 0.474 287 HB2 SER 40 HB2 SER 40 -10.398 7.897 -0.505 288 HB3 SER 40 HB1 SER 40 -10.924 8.650 1.023 289 H LEU 41 HN LEU 41 -10.262 8.331 3.280 290 HA LEU 41 HA LEU 41 -8.030 9.883 3.836 291 HB2 LEU 41 HB2 LEU 41 -9.262 10.471 6.012 292 HB3 LEU 41 HB1 LEU 41 -10.030 10.874 4.498 293 HG LEU 41 HG LEU 41 -11.379 8.703 4.811 294 HD11 LEU 41 HD11 LEU 41 -10.072 7.681 6.559 295 HD12 LEU 41 HD12 LEU 41 -11.726 7.968 7.103 296 HD13 LEU 41 HD13 LEU 41 -10.426 9.031 7.638 297 HD21 LEU 41 HD21 LEU 41 -12.357 10.898 5.014 298 HD22 LEU 41 HD22 LEU 41 -11.801 11.012 6.688 299 HD23 LEU 41 HD23 LEU 41 -13.014 9.814 6.239 300 H SER 42 HN SER 42 -9.007 6.730 4.838 301 HA SER 42 HA SER 42 -7.155 6.454 7.022 302 HB2 SER 42 HB2 SER 42 -8.762 4.390 5.543 303 HB3 SER 42 HB1 SER 42 -7.999 4.202 7.120 304 HG SER 42 HG SER 42 -10.242 4.646 7.230 305 H MET 43 HN MET 43 -7.060 6.294 3.675 306 HA MET 43 HA MET 43 -5.403 4.124 3.161 307 HB2 MET 43 HB2 MET 43 -5.867 6.671 1.663 308 HB3 MET 43 HB1 MET 43 -4.835 5.384 1.065 309 HG2 MET 43 HG2 MET 43 -7.622 4.758 1.879 310 HG3 MET 43 HG1 MET 43 -7.268 5.602 0.368 311 HE1 MET 43 HE1 MET 43 -5.088 1.607 0.958 312 HE2 MET 43 HE2 MET 43 -5.794 2.445 2.351 313 HE3 MET 43 HE3 MET 43 -4.469 3.186 1.445 314 H VAL 44 HN VAL 44 -4.743 7.422 3.919 315 HA VAL 44 HA VAL 44 -2.049 7.469 3.460 316 HB VAL 44 HB VAL 44 -3.522 8.864 5.726 317 HG11 VAL 44 HG11 VAL 44 -1.110 8.913 6.078 318 HG12 VAL 44 HG12 VAL 44 -1.710 10.517 5.644 319 HG13 VAL 44 HG13 VAL 44 -0.874 9.533 4.443 320 HG21 VAL 44 HG21 VAL 44 -2.899 9.781 2.918 321 HG22 VAL 44 HG22 VAL 44 -3.676 10.756 4.170 322 HG23 VAL 44 HG23 VAL 44 -4.486 9.320 3.533 323 H GLU 45 HN GLU 45 -3.870 6.368 6.339 324 HA GLU 45 HA GLU 45 -1.852 5.744 8.185 325 HB2 GLU 45 HB2 GLU 45 -4.320 4.083 7.689 326 HB3 GLU 45 HB1 GLU 45 -3.388 4.178 9.167 327 HG2 GLU 45 HG2 GLU 45 -5.105 6.329 7.975 328 HG3 GLU 45 HG1 GLU 45 -5.444 5.253 9.345 329 H VAL 46 HN VAL 46 -3.438 3.786 5.740 330 HA VAL 46 HA VAL 46 -2.255 1.342 6.123 331 HB VAL 46 HB VAL 46 -3.162 2.507 3.486 332 HG11 VAL 46 HG11 VAL 46 -3.016 -0.347 4.402 333 HG12 VAL 46 HG12 VAL 46 -1.978 0.436 3.209 334 HG13 VAL 46 HG13 VAL 46 -3.698 0.216 2.875 335 HG21 VAL 46 HG21 VAL 46 -5.351 1.522 4.006 336 HG22 VAL 46 HG22 VAL 46 -4.898 2.815 5.104 337 HG23 VAL 46 HG23 VAL 46 -4.770 1.130 5.625 338 H VAL 47 HN VAL 47 -1.014 4.142 4.601 339 HA VAL 47 HA VAL 47 0.991 2.803 2.951 340 HB VAL 47 HB VAL 47 0.969 5.731 3.701 341 HG11 VAL 47 HG11 VAL 47 3.015 4.920 2.709 342 HG12 VAL 47 HG12 VAL 47 2.173 5.995 1.592 343 HG13 VAL 47 HG13 VAL 47 2.115 4.250 1.348 344 HG21 VAL 47 HG21 VAL 47 -0.420 4.428 1.371 345 HG22 VAL 47 HG22 VAL 47 -0.246 6.163 1.630 346 HG23 VAL 47 HG23 VAL 47 -1.203 5.194 2.753 347 H VAL 48 HN VAL 48 0.876 4.877 5.762 348 HA VAL 48 HA VAL 48 3.569 4.772 6.502 349 HB VAL 48 HB VAL 48 1.095 5.085 8.246 350 HG11 VAL 48 HG11 VAL 48 3.075 4.619 9.571 351 HG12 VAL 48 HG12 VAL 48 2.556 6.291 9.786 352 HG13 VAL 48 HG13 VAL 48 3.942 5.924 8.760 353 HG21 VAL 48 HG21 VAL 48 2.765 7.184 6.866 354 HG22 VAL 48 HG22 VAL 48 1.444 7.502 7.989 355 HG23 VAL 48 HG23 VAL 48 1.119 6.716 6.443 356 H ALA 49 HN ALA 49 0.786 2.673 7.143 357 HA ALA 49 HA ALA 49 2.037 1.182 9.077 358 HB1 ALA 49 HB1 ALA 49 -0.352 0.482 7.385 359 HB2 ALA 49 HB2 ALA 49 -0.373 1.300 8.949 360 HB3 ALA 49 HB3 ALA 49 0.150 -0.380 8.841 361 H ALA 50 HN ALA 50 1.610 0.927 5.628 362 HA ALA 50 HA ALA 50 2.677 -1.609 5.183 363 HB1 ALA 50 HB1 ALA 50 1.409 -0.377 3.441 364 HB2 ALA 50 HB2 ALA 50 2.983 -0.833 2.832 365 HB3 ALA 50 HB3 ALA 50 2.687 0.814 3.346 366 H GLU 51 HN GLU 51 4.302 1.600 5.022 367 HA GLU 51 HA GLU 51 6.725 0.310 4.542 368 HB2 GLU 51 HB2 GLU 51 7.883 2.463 4.932 369 HB3 GLU 51 HB1 GLU 51 6.695 2.468 3.688 370 HG2 GLU 51 HG2 GLU 51 6.512 4.436 4.646 371 HG3 GLU 51 HG1 GLU 51 5.109 3.593 5.318 372 H GLU 52 HN GLU 52 5.338 1.300 7.517 373 HA GLU 52 HA GLU 52 7.612 0.733 9.066 374 HB2 GLU 52 HB2 GLU 52 4.712 0.956 9.719 375 HB3 GLU 52 HB1 GLU 52 5.874 0.487 10.961 376 HG2 GLU 52 HG2 GLU 52 7.131 2.582 10.362 377 HG3 GLU 52 HG1 GLU 52 5.734 3.029 9.387 378 H ARG 53 HN ARG 53 5.238 -1.334 7.685 379 HA ARG 53 HA ARG 53 5.989 -3.545 9.374 380 HB2 ARG 53 HB2 ARG 53 3.674 -3.432 8.538 381 HB3 ARG 53 HB1 ARG 53 4.267 -3.507 6.882 382 HG2 ARG 53 HG2 ARG 53 5.175 -5.732 7.298 383 HG3 ARG 53 HG1 ARG 53 4.601 -5.661 8.959 384 HD2 ARG 53 HD2 ARG 53 2.263 -5.617 8.151 385 HD3 ARG 53 HD1 ARG 53 2.839 -5.568 6.498 386 HE ARG 53 HE ARG 53 4.024 -7.716 7.239 387 HH11 ARG 53 HH11 ARG 53 0.745 -6.783 8.283 388 HH12 ARG 53 HH12 ARG 53 0.098 -8.340 7.992 389 HH21 ARG 53 HH21 ARG 53 3.017 -9.914 6.915 390 HH22 ARG 53 HH22 ARG 53 1.332 -10.012 7.206 391 H PHE 54 HN PHE 54 6.403 -2.624 5.986 392 HA PHE 54 HA PHE 54 7.712 -5.075 5.409 393 HB2 PHE 54 HB2 PHE 54 7.533 -2.690 3.592 394 HB3 PHE 54 HB1 PHE 54 7.906 -4.359 3.146 395 HD1 PHE 54 HD2 PHE 54 6.074 -5.921 4.632 396 HD2 PHE 54 HD1 PHE 54 5.503 -2.200 2.712 397 HE1 PHE 54 HE2 PHE 54 3.688 -6.367 4.513 398 HE2 PHE 54 HE1 PHE 54 3.121 -2.620 2.582 399 HZ PHE 54 HZ PHE 54 2.187 -4.705 3.484 400 H ASP 55 HN ASP 55 8.922 -1.761 5.757 401 HA ASP 55 HA ASP 55 11.178 -1.943 7.002 402 HB2 ASP 55 HB2 ASP 55 11.975 -3.841 5.486 403 HB3 ASP 55 HB1 ASP 55 12.162 -2.665 4.196 404 H VAL 56 HN VAL 56 9.708 -0.764 4.162 405 HA VAL 56 HA VAL 56 11.787 0.944 3.275 406 HB VAL 56 HB VAL 56 10.170 -0.292 1.875 407 HG11 VAL 56 HG11 VAL 56 7.936 0.570 1.521 408 HG12 VAL 56 HG12 VAL 56 8.175 1.673 2.876 409 HG13 VAL 56 HG13 VAL 56 8.199 -0.070 3.143 410 HG21 VAL 56 HG21 VAL 56 11.355 1.560 0.915 411 HG22 VAL 56 HG22 VAL 56 10.070 2.677 1.424 412 HG23 VAL 56 HG23 VAL 56 9.737 1.380 0.250 413 H LYS 57 HN LYS 57 11.221 3.293 2.815 414 HA LYS 57 HA LYS 57 9.578 4.482 4.903 415 HB2 LYS 57 HB2 LYS 57 11.948 5.094 5.169 416 HB3 LYS 57 HB1 LYS 57 12.012 5.585 3.478 417 HG2 LYS 57 HG2 LYS 57 11.830 7.522 4.922 418 HG3 LYS 57 HG1 LYS 57 10.386 7.350 3.922 419 HD2 LYS 57 HD2 LYS 57 9.311 6.176 5.857 420 HD3 LYS 57 HD1 LYS 57 10.710 6.644 6.824 421 HE2 LYS 57 HE2 LYS 57 8.777 8.461 5.422 422 HE3 LYS 57 HE1 LYS 57 8.900 8.198 7.158 423 HZ1 LYS 57 HZ1 LYS 57 11.232 9.119 6.983 424 HZ2 LYS 57 HZ2 LYS 57 9.993 10.211 6.702 425 HZ3 LYS 57 HZ3 LYS 57 10.861 9.599 5.397 426 H ILE 58 HN ILE 58 7.816 5.383 4.076 427 HA ILE 58 HA ILE 58 7.912 6.291 1.289 428 HB ILE 58 HB ILE 58 5.437 5.317 2.763 429 HG12 ILE 58 HG12 ILE 58 7.015 3.908 0.590 430 HG13 ILE 58 HG11 ILE 58 7.053 3.472 2.293 431 HG21 ILE 58 HG21 ILE 58 4.402 5.398 0.527 432 HG22 ILE 58 HG22 ILE 58 5.906 6.027 -0.143 433 HG23 ILE 58 HG23 ILE 58 4.993 6.984 1.026 434 HD11 ILE 58 HD11 ILE 58 4.673 2.919 2.193 435 HD12 ILE 58 HD12 ILE 58 5.619 1.986 1.035 436 HD13 ILE 58 HD13 ILE 58 4.649 3.353 0.484 437 HA PRO 59 HA PRO 59 7.266 10.186 3.584 438 HB2 PRO 59 HB2 PRO 59 7.574 11.708 1.406 439 HB3 PRO 59 HB1 PRO 59 8.976 11.100 2.331 440 HG2 PRO 59 HG2 PRO 59 7.721 10.067 -0.194 441 HG3 PRO 59 HG1 PRO 59 9.450 10.256 0.184 442 HD2 PRO 59 HD2 PRO 59 8.246 7.870 0.322 443 HD3 PRO 59 HD1 PRO 59 9.479 8.345 1.512 444 H ASP 60 HN ASP 60 5.791 11.949 3.269 445 HA ASP 60 HA ASP 60 3.165 11.394 2.628 446 HB2 ASP 60 HB2 ASP 60 3.945 13.369 3.906 447 HB3 ASP 60 HB1 ASP 60 4.584 14.059 2.422 448 H ASP 61 HN ASP 61 5.683 12.862 0.705 449 HA ASP 61 HA ASP 61 4.460 13.555 -1.642 450 HB2 ASP 61 HB2 ASP 61 6.831 13.943 -1.093 451 HB3 ASP 61 HB1 ASP 61 7.151 12.235 -1.346 452 H ASP 62 HN ASP 62 6.008 10.418 -1.019 453 HA ASP 62 HA ASP 62 5.007 9.370 -3.469 454 HB2 ASP 62 HB2 ASP 62 6.592 8.097 -1.266 455 HB3 ASP 62 HB1 ASP 62 5.989 7.173 -2.636 456 H VAL 63 HN VAL 63 3.916 9.271 -0.202 457 HA VAL 63 HA VAL 63 2.086 7.170 -0.229 458 HB VAL 63 HB VAL 63 1.768 9.964 0.978 459 HG11 VAL 63 HG11 VAL 63 0.123 7.516 1.584 460 HG12 VAL 63 HG12 VAL 63 -0.433 8.968 0.754 461 HG13 VAL 63 HG13 VAL 63 0.051 9.052 2.448 462 HG21 VAL 63 HG21 VAL 63 3.631 8.719 1.898 463 HG22 VAL 63 HG22 VAL 63 2.566 7.361 2.260 464 HG23 VAL 63 HG23 VAL 63 2.350 8.900 3.096 465 H LYS 64 HN LYS 64 1.845 10.390 -1.511 466 HA LYS 64 HA LYS 64 -0.857 10.159 -2.465 467 HB2 LYS 64 HB2 LYS 64 1.229 12.268 -3.008 468 HB3 LYS 64 HB1 LYS 64 -0.506 12.420 -3.290 469 HG2 LYS 64 HG2 LYS 64 -0.981 12.372 -0.969 470 HG3 LYS 64 HG1 LYS 64 0.657 11.865 -0.577 471 HD2 LYS 64 HD2 LYS 64 -0.229 14.596 -1.563 472 HD3 LYS 64 HD1 LYS 64 0.461 14.138 0.005 473 HE2 LYS 64 HE2 LYS 64 2.501 13.412 -1.191 474 HE3 LYS 64 HE1 LYS 64 1.856 14.182 -2.642 475 HZ1 LYS 64 HZ1 LYS 64 3.333 15.683 -1.463 476 HZ2 LYS 64 HZ2 LYS 64 2.430 15.484 -0.051 477 HZ3 LYS 64 HZ3 LYS 64 1.747 16.277 -1.388 478 H ASN 65 HN ASN 65 2.061 8.977 -3.699 479 HA ASN 65 HA ASN 65 1.361 9.369 -6.513 480 HB2 ASN 65 HB2 ASN 65 3.727 8.217 -5.075 481 HB3 ASN 65 HB1 ASN 65 3.482 8.020 -6.781 482 HD21 ASN 65 HD21 ASN 65 2.766 11.021 -5.038 483 HD22 ASN 65 HD22 ASN 65 4.042 11.925 -5.756 484 H LEU 66 HN LEU 66 1.708 7.019 -3.969 485 HA LEU 66 HA LEU 66 1.228 4.774 -5.610 486 HB2 LEU 66 HB2 LEU 66 0.791 4.987 -2.630 487 HB3 LEU 66 HB1 LEU 66 1.104 3.545 -3.560 488 HG LEU 66 HG LEU 66 3.040 5.690 -2.735 489 HD11 LEU 66 HD11 LEU 66 2.904 2.739 -2.156 490 HD12 LEU 66 HD12 LEU 66 2.602 4.056 -1.039 491 HD13 LEU 66 HD13 LEU 66 4.228 3.791 -1.686 492 HD21 LEU 66 HD21 LEU 66 4.794 4.463 -3.959 493 HD22 LEU 66 HD22 LEU 66 3.568 5.113 -5.049 494 HD23 LEU 66 HD23 LEU 66 3.563 3.398 -4.639 495 H LYS 67 HN LYS 67 -0.674 4.264 -6.319 496 HA LYS 67 HA LYS 67 -2.902 5.002 -4.670 497 HB2 LYS 67 HB2 LYS 67 -4.249 5.294 -6.979 498 HB3 LYS 67 HB1 LYS 67 -3.469 6.619 -6.143 499 HG2 LYS 67 HG2 LYS 67 -3.047 6.796 -8.490 500 HG3 LYS 67 HG1 LYS 67 -1.540 6.376 -7.687 501 HD2 LYS 67 HD2 LYS 67 -1.778 4.101 -8.355 502 HD3 LYS 67 HD1 LYS 67 -3.351 4.428 -9.103 503 HE2 LYS 67 HE2 LYS 67 -1.622 4.347 -10.817 504 HE3 LYS 67 HE1 LYS 67 -2.223 5.996 -10.656 505 HZ1 LYS 67 HZ1 LYS 67 -0.258 6.587 -9.407 506 HZ2 LYS 67 HZ2 LYS 67 0.165 5.886 -10.876 507 HZ3 LYS 67 HZ3 LYS 67 0.320 4.980 -9.466 508 H THR 68 HN THR 68 -1.462 2.662 -6.743 509 HA THR 68 HA THR 68 -3.558 0.761 -5.972 510 HB THR 68 HB THR 68 -2.895 -0.575 -7.798 511 HG1 THR 68 HG1 THR 68 -0.948 1.426 -8.392 512 HG21 THR 68 HG21 THR 68 -3.386 0.839 -9.761 513 HG22 THR 68 HG22 THR 68 -3.145 2.277 -8.763 514 HG23 THR 68 HG23 THR 68 -4.472 1.169 -8.411 515 H VAL 69 HN VAL 69 -2.567 -1.437 -5.683 516 HA VAL 69 HA VAL 69 -0.350 -1.025 -3.973 517 HB VAL 69 HB VAL 69 -1.284 -2.657 -2.832 518 HG11 VAL 69 HG11 VAL 69 -3.205 -3.975 -3.616 519 HG12 VAL 69 HG12 VAL 69 -2.889 -3.351 -5.243 520 HG13 VAL 69 HG13 VAL 69 -3.337 -2.240 -3.959 521 HG21 VAL 69 HG21 VAL 69 -1.015 -5.039 -3.457 522 HG22 VAL 69 HG22 VAL 69 0.457 -4.106 -3.732 523 HG23 VAL 69 HG23 VAL 69 -0.573 -4.541 -5.093 524 H GLY 70 HN GLY 70 -0.756 -1.508 -7.141 525 HA2 GLY 70 HA2 GLY 70 1.619 -3.003 -7.704 526 HA3 GLY 70 HA1 GLY 70 0.785 -1.937 -8.837 527 H ASP 71 HN ASP 71 0.826 0.416 -7.562 528 HA ASP 71 HA ASP 71 3.391 1.540 -8.015 529 HB2 ASP 71 HB2 ASP 71 1.259 2.571 -6.139 530 HB3 ASP 71 HB1 ASP 71 2.546 3.521 -6.811 531 H ALA 72 HN ALA 72 1.585 0.885 -5.083 532 HA ALA 72 HA ALA 72 3.351 1.732 -3.131 533 HB1 ALA 72 HB1 ALA 72 1.531 -0.651 -2.979 534 HB2 ALA 72 HB2 ALA 72 1.013 1.022 -2.724 535 HB3 ALA 72 HB3 ALA 72 2.175 0.260 -1.629 536 H THR 73 HN THR 73 2.852 -1.547 -4.124 537 HA THR 73 HA THR 73 4.807 -2.585 -2.579 538 HB THR 73 HB THR 73 3.771 -3.731 -5.156 539 HG1 THR 73 HG1 THR 73 2.056 -3.488 -3.938 540 HG21 THR 73 HG21 THR 73 4.341 -5.854 -4.100 541 HG22 THR 73 HG22 THR 73 4.991 -4.919 -2.723 542 HG23 THR 73 HG23 THR 73 5.762 -4.795 -4.305 543 H LYS 74 HN LYS 74 5.040 -1.648 -6.009 544 HA LYS 74 HA LYS 74 7.594 -2.543 -6.589 545 HB2 LYS 74 HB2 LYS 74 5.690 -0.608 -7.561 546 HB3 LYS 74 HB1 LYS 74 7.368 -0.186 -7.897 547 HG2 LYS 74 HG2 LYS 74 6.433 -1.346 -9.821 548 HG3 LYS 74 HG1 LYS 74 7.678 -2.330 -9.069 549 HD2 LYS 74 HD2 LYS 74 5.995 -3.745 -8.063 550 HD3 LYS 74 HD1 LYS 74 4.706 -2.689 -8.661 551 HE2 LYS 74 HE2 LYS 74 5.384 -3.163 -10.961 552 HE3 LYS 74 HE1 LYS 74 6.668 -4.214 -10.374 553 HZ1 LYS 74 HZ1 LYS 74 4.998 -5.691 -9.454 554 HZ2 LYS 74 HZ2 LYS 74 4.724 -5.432 -11.109 555 HZ3 LYS 74 HZ3 LYS 74 3.756 -4.646 -9.990 556 H TYR 75 HN TYR 75 6.363 0.452 -5.238 557 HA TYR 75 HA TYR 75 8.761 1.890 -5.086 558 HB2 TYR 75 HB2 TYR 75 6.442 2.824 -4.961 559 HB3 TYR 75 HB1 TYR 75 6.317 2.102 -3.395 560 HD1 TYR 75 HD1 TYR 75 8.554 4.506 -5.154 561 HD2 TYR 75 HD2 TYR 75 6.915 3.161 -1.481 562 HE1 TYR 75 HE1 TYR 75 9.671 6.344 -3.985 563 HE2 TYR 75 HE2 TYR 75 7.996 4.970 -0.303 564 HH TYR 75 HH TYR 75 9.280 7.635 -1.853 565 H ILE 76 HN ILE 76 6.966 0.061 -2.747 566 HA ILE 76 HA ILE 76 8.461 0.506 -0.479 567 HB ILE 76 HB ILE 76 6.764 -1.844 -1.339 568 HG12 ILE 76 HG12 ILE 76 6.223 0.260 0.716 569 HG13 ILE 76 HG11 ILE 76 5.884 0.512 -0.992 570 HG21 ILE 76 HG21 ILE 76 7.883 -1.264 1.407 571 HG22 ILE 76 HG22 ILE 76 8.354 -2.616 0.374 572 HG23 ILE 76 HG23 ILE 76 6.711 -2.521 1.012 573 HD11 ILE 76 HD11 ILE 76 4.442 -1.362 -1.005 574 HD12 ILE 76 HD12 ILE 76 3.915 -0.206 0.230 575 HD13 ILE 76 HD13 ILE 76 4.768 -1.704 0.698 576 H LEU 77 HN LEU 77 8.605 -2.460 -2.480 577 HA LEU 77 HA LEU 77 10.743 -3.698 -1.403 578 HB2 LEU 77 HB2 LEU 77 9.025 -4.337 -3.153 579 HB3 LEU 77 HB1 LEU 77 10.014 -3.514 -4.317 580 HG LEU 77 HG LEU 77 10.658 -6.064 -2.845 581 HD11 LEU 77 HD11 LEU 77 9.982 -5.360 -5.668 582 HD12 LEU 77 HD12 LEU 77 8.986 -6.256 -4.525 583 HD13 LEU 77 HD13 LEU 77 10.491 -6.972 -5.142 584 HD21 LEU 77 HD21 LEU 77 12.750 -4.778 -3.273 585 HD22 LEU 77 HD22 LEU 77 12.298 -4.648 -4.973 586 HD23 LEU 77 HD23 LEU 77 12.649 -6.227 -4.272 587 H ASP 78 HN ASP 78 10.535 -1.189 -3.876 588 HA ASP 78 HA ASP 78 13.076 -1.169 -5.063 589 HB2 ASP 78 HB2 ASP 78 10.918 0.024 -5.797 590 HB3 ASP 78 HB1 ASP 78 11.278 1.187 -4.559 591 H HIS 79 HN HIS 79 11.706 0.441 -2.311 592 HA HIS 79 HA HIS 79 14.245 1.755 -1.818 593 HB2 HIS 79 HB2 HIS 79 11.452 2.433 -1.098 594 HB3 HIS 79 HB1 HIS 79 12.773 3.092 -0.153 595 HD1 HIS 79 HD1 HIS 79 13.852 5.151 -1.084 596 HD2 HIS 79 HD2 HIS 79 11.508 3.207 -3.907 597 HE1 HIS 79 HE1 HIS 79 13.765 6.684 -3.067 598 HE2 HIS 79 HE2 HIS 79 12.116 5.628 -4.610 599 H GLN 80 HN GLN 80 12.903 -1.090 -0.770 600 HA GLN 80 HA GLN 80 13.707 -0.749 2.031 601 HB2 GLN 80 HB2 GLN 80 13.375 -3.380 0.746 602 HB3 GLN 80 HB1 GLN 80 13.181 -2.915 2.400 603 HG2 GLN 80 HG2 GLN 80 11.040 -1.953 1.974 604 HG3 GLN 80 HG1 GLN 80 11.253 -2.216 0.238 605 HE21 GLN 80 HE21 GLN 80 9.225 -3.258 1.782 606 HE22 GLN 80 HE22 GLN 80 9.346 -5.002 1.787 607 H ALA 81 HN ALA 81 14.422 -2.628 -0.572 608 HA ALA 81 HA ALA 81 16.785 -3.845 0.416 609 HB1 ALA 81 HB1 ALA 81 15.871 -3.676 -2.442 610 HB2 ALA 81 HB2 ALA 81 15.343 -4.859 -1.247 611 HB3 ALA 81 HB3 ALA 81 17.031 -4.834 -1.770 612 H1 SYO 101 H1A SYO 101 -3.714 6.060 0.595 613 H1A SYO 101 H1B SYO 101 -2.130 6.846 0.441 614 H2 SYO 101 H2A SYO 101 -2.248 6.830 -1.804 615 H2A SYO 101 H2B SYO 101 -4.036 6.680 -1.884 616 H4 SYO 101 H4A SYO 101 -0.898 5.053 -1.399 617 H4A SYO 101 H4B SYO 101 -1.483 3.833 -2.526 618 H5 SYO 101 H5A SYO 101 -2.018 2.340 -0.771 619 H5A SYO 101 H5B SYO 101 -1.745 3.585 0.452 620 H6 SYO 101 H6A SYO 101 0.606 3.688 -0.188 621 H6A SYO 101 H6B SYO 101 0.329 2.432 -1.393 622 H7 SYO 101 H7A SYO 101 -0.240 0.844 0.313 623 H7A SYO 101 H7B SYO 101 -0.107 2.102 1.565 624 H8 SYO 101 H8C SYO 101 2.093 1.143 -0.259 625 H8A SYO 101 H8A SYO 101 1.911 0.725 1.443 626 H8B SYO 101 H8B SYO 101 2.247 2.392 0.977 627 H28 SYO 101 H28A SYO 101 -8.217 9.747 -2.295 628 H28A SYO 101 H28B SYO 101 -9.928 9.803 -2.697 629 H30 SYO 101 H30A SYO 101 -9.739 12.592 -5.101 630 H30A SYO 101 H30B SYO 101 -9.944 12.768 -3.352 631 H30B SYO 101 H30C SYO 101 -10.810 11.500 -4.215 632 H31 SYO 101 H31A SYO 101 -6.615 11.223 -3.618 633 H31A SYO 101 H31B SYO 101 -7.501 12.634 -3.041 634 H31B SYO 101 H31C SYO 101 -7.238 12.404 -4.771 635 H32 SYO 101 H32A SYO 101 -9.331 9.246 -4.881 636 HO33 SYO 101 H33A SYO 101 -8.244 10.385 -6.913 637 HN36 SYO 101 H36A SYO 101 -7.385 8.908 -3.428 638 H37 SYO 101 H37A SYO 101 -5.374 7.704 -3.167 639 H37A SYO 101 H37B SYO 101 -5.667 7.169 -4.808 640 H38 SYO 101 H38A SYO 101 -3.520 8.118 -4.682 641 H38A SYO 101 H38B SYO 101 -4.504 9.242 -5.660 642 HN41 SYO 101 H41A SYO 101 -3.982 8.643 -2.218 643 H42 SYO 101 H42A SYO 101 -2.515 11.054 -1.845 644 H42A SYO 101 H42B SYO 101 -4.110 10.963 -1.072 645 H43 SYO 101 H43A SYO 101 -2.337 10.240 0.448 646 H43A SYO 101 H43B SYO 101 -1.861 9.003 -0.725
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