NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570689 | 2rtx | 11534 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -0.954 9.213 -3.843 2 HA MET 1 HA MET 1 0.836 9.436 -5.534 3 HB2 MET 1 2HB MET 1 1.076 12.232 -4.379 4 HB3 MET 1 3HB MET 1 2.262 11.469 -5.403 5 HG2 MET 1 2HG MET 1 -0.593 12.033 -6.238 6 HG3 MET 1 3HG MET 1 0.846 12.920 -6.735 7 HE1 MET 1 3HE MET 1 2.744 10.468 -9.051 8 HE2 MET 1 1HE MET 1 2.808 11.947 -8.076 9 HE3 MET 1 2HE MET 1 3.014 10.354 -7.301 10 H ILE 2 H ILE 2 0.428 9.458 -2.058 11 HA ILE 2 HA ILE 2 1.888 9.032 -0.381 12 HB ILE 2 HB ILE 2 2.924 6.946 -2.322 13 HG12 ILE 2 2HG1 ILE 2 0.236 7.022 -0.896 14 HG13 ILE 2 3HG1 ILE 2 0.534 6.987 -2.630 15 HG21 ILE 2 1HG2 ILE 2 3.818 7.186 0.144 16 HG22 ILE 2 2HG2 ILE 2 2.233 6.518 0.586 17 HG23 ILE 2 3HG2 ILE 2 3.331 5.585 -0.439 18 HD11 ILE 2 3HD1 ILE 2 -0.201 4.814 -2.004 19 HD12 ILE 2 1HD1 ILE 2 1.523 4.659 -2.334 20 HD13 ILE 2 2HD1 ILE 2 0.934 4.714 -0.650 21 H VAL 3 H VAL 3 2.880 11.212 -1.494 22 HA VAL 3 HA VAL 3 5.618 10.995 -2.413 23 HB VAL 3 HB VAL 3 4.122 13.327 -1.290 24 HG11 VAL 3 1HG1 VAL 3 5.805 14.792 -2.452 25 HG12 VAL 3 2HG1 VAL 3 6.451 13.877 -1.086 26 HG13 VAL 3 3HG1 VAL 3 6.761 13.318 -2.741 27 HG21 VAL 3 3HG2 VAL 3 3.495 14.165 -3.301 28 HG22 VAL 3 1HG2 VAL 3 4.584 13.142 -4.217 29 HG23 VAL 3 2HG2 VAL 3 3.154 12.438 -3.420 30 H ILE 4 H ILE 4 7.082 10.093 -1.256 31 HA ILE 4 HA ILE 4 7.064 10.375 1.662 32 HB ILE 4 HB ILE 4 9.044 8.872 -0.062 33 HG12 ILE 4 2HG1 ILE 4 6.875 7.893 -0.443 34 HG13 ILE 4 3HG1 ILE 4 7.854 6.855 0.548 35 HG21 ILE 4 1HG2 ILE 4 8.518 8.896 2.925 36 HG22 ILE 4 2HG2 ILE 4 9.428 7.622 2.109 37 HG23 ILE 4 3HG2 ILE 4 10.029 9.273 2.083 38 HD11 ILE 4 3HD1 ILE 4 6.592 7.673 2.595 39 HD12 ILE 4 1HD1 ILE 4 5.525 8.569 1.474 40 HD13 ILE 4 2HD1 ILE 4 5.623 6.795 1.414 41 H SER 5 H SER 5 9.012 11.309 -1.234 42 HA SER 5 HA SER 5 10.474 13.336 0.299 43 HB2 SER 5 2HB SER 5 11.788 11.211 0.436 44 HB3 SER 5 3HB SER 5 11.844 11.154 -1.330 45 HG SER 5 HG SER 5 13.630 12.152 -1.014 46 H ARG 6 H ARG 6 12.010 14.467 -1.325 47 HA ARG 6 HA ARG 6 10.546 15.879 -3.217 48 HB2 ARG 6 2HB ARG 6 12.729 16.729 -3.994 49 HB3 ARG 6 3HB ARG 6 12.503 16.813 -2.249 50 HG2 ARG 6 2HG ARG 6 14.033 14.977 -1.866 51 HG3 ARG 6 3HG ARG 6 14.048 14.558 -3.568 52 HD2 ARG 6 2HD ARG 6 16.106 15.640 -3.174 53 HD3 ARG 6 3HD ARG 6 15.126 16.791 -4.060 54 HE ARG 6 HE ARG 6 16.073 16.936 -1.293 55 HH11 ARG 6 1HH1 ARG 6 14.240 18.559 -3.891 56 HH12 ARG 6 2HH1 ARG 6 13.628 19.810 -2.840 57 HH21 ARG 6 1HH2 ARG 6 15.367 18.867 0.027 58 HH22 ARG 6 2HH2 ARG 6 14.400 20.059 -0.797 59 H HIS 7 H HIS 7 12.234 12.820 -3.758 60 HA HIS 7 HA HIS 7 11.331 12.886 -6.596 61 HB2 HIS 7 2HB HIS 7 13.929 11.682 -5.581 62 HB3 HIS 7 3HB HIS 7 13.386 11.794 -7.258 63 HD1 HIS 7 1HD HIS 7 13.032 14.670 -8.000 64 HD2 HIS 7 2HD HIS 7 15.775 13.381 -5.064 65 HE1 HIS 7 1HE HIS 7 14.660 16.561 -7.662 66 H VAL 8 H VAL 8 10.178 11.672 -3.978 67 HA VAL 8 HA VAL 8 9.942 8.905 -4.999 68 HB VAL 8 HB VAL 8 10.480 9.648 -2.094 69 HG11 VAL 8 1HG1 VAL 8 10.441 7.124 -1.801 70 HG12 VAL 8 2HG1 VAL 8 8.869 7.858 -2.143 71 HG13 VAL 8 3HG1 VAL 8 9.749 7.055 -3.446 72 HG21 VAL 8 3HG2 VAL 8 12.487 8.166 -2.367 73 HG22 VAL 8 1HG2 VAL 8 12.152 8.093 -4.110 74 HG23 VAL 8 2HG2 VAL 8 12.584 9.630 -3.348 75 H ALA 9 H ALA 9 7.824 8.675 -5.472 76 HA ALA 9 HA ALA 9 5.700 9.250 -3.579 77 HB1 ALA 9 1HB ALA 9 4.537 10.946 -4.917 78 HB2 ALA 9 2HB ALA 9 6.071 11.553 -4.386 79 HB3 ALA 9 3HB ALA 9 5.885 10.986 -6.073 80 H ILE 10 H ILE 10 4.718 7.328 -3.784 81 HA ILE 10 HA ILE 10 4.715 5.860 -6.282 82 HB ILE 10 HB ILE 10 2.906 5.223 -3.930 83 HG12 ILE 10 2HG1 ILE 10 5.846 4.469 -4.116 84 HG13 ILE 10 3HG1 ILE 10 5.101 5.548 -2.938 85 HG21 ILE 10 1HG2 ILE 10 4.234 3.571 -6.130 86 HG22 ILE 10 2HG2 ILE 10 3.257 2.871 -4.842 87 HG23 ILE 10 3HG2 ILE 10 2.518 3.951 -5.989 88 HD11 ILE 10 3HD1 ILE 10 4.551 2.575 -3.156 89 HD12 ILE 10 1HD1 ILE 10 5.416 3.392 -1.874 90 HD13 ILE 10 2HD1 ILE 10 3.683 3.687 -2.078 91 HA PRO 11 HA PRO 11 0.978 7.972 -7.633 92 HB2 PRO 11 2HB PRO 11 0.419 6.685 -9.962 93 HB3 PRO 11 3HB PRO 11 1.831 7.751 -9.757 94 HG2 PRO 11 2HG PRO 11 1.753 4.731 -9.448 95 HG3 PRO 11 3HG PRO 11 2.871 5.695 -10.473 96 HD2 PRO 11 2HD PRO 11 3.583 4.861 -8.010 97 HD3 PRO 11 3HD PRO 11 4.051 6.478 -8.582 98 H ASP 12 H ASP 12 0.895 5.373 -5.856 99 HA ASP 12 HA ASP 12 -0.605 4.108 -4.788 100 HB2 ASP 12 2HB ASP 12 -1.765 6.318 -4.683 101 HB3 ASP 12 3HB ASP 12 -2.769 5.809 -6.042 102 H GLY 13 H GLY 13 -0.055 3.695 -7.891 103 HA2 GLY 13 2HA GLY 13 -2.139 1.614 -8.371 104 HA3 GLY 13 3HA GLY 13 -1.180 2.441 -9.598 105 H GLU 14 H GLU 14 1.207 1.993 -7.499 106 HA GLU 14 HA GLU 14 2.034 -0.573 -8.706 107 HB2 GLU 14 2HB GLU 14 3.493 1.450 -6.962 108 HB3 GLU 14 3HB GLU 14 4.233 -0.001 -7.661 109 HG2 GLU 14 2HG GLU 14 3.559 0.906 -9.955 110 HG3 GLU 14 3HG GLU 14 3.225 2.443 -9.118 111 H LEU 15 H LEU 15 0.045 -0.195 -6.199 112 HA LEU 15 HA LEU 15 1.518 -2.027 -4.356 113 HB2 LEU 15 2HB LEU 15 -1.046 -0.762 -3.544 114 HB3 LEU 15 3HB LEU 15 0.366 -1.235 -2.599 115 HG LEU 15 HG LEU 15 0.081 1.296 -4.276 116 HD11 LEU 15 1HD1 LEU 15 -1.204 1.280 -2.159 117 HD12 LEU 15 2HD1 LEU 15 0.190 2.400 -2.079 118 HD13 LEU 15 3HD1 LEU 15 0.277 0.812 -1.274 119 HD21 LEU 15 3HD2 LEU 15 2.323 0.462 -2.393 120 HD22 LEU 15 1HD2 LEU 15 2.166 2.021 -3.194 121 HD23 LEU 15 2HD2 LEU 15 2.481 0.570 -4.173 122 H GLU 16 H GLU 16 0.018 -3.630 -3.216 123 HA GLU 16 HA GLU 16 -1.989 -4.774 -5.110 124 HB2 GLU 16 2HB GLU 16 0.018 -6.239 -4.873 125 HB3 GLU 16 3HB GLU 16 -0.191 -6.226 -3.106 126 HG2 GLU 16 2HG GLU 16 -1.134 -8.247 -3.916 127 HG3 GLU 16 3HG GLU 16 -2.476 -7.215 -3.398 128 H ILE 17 H ILE 17 -3.789 -3.863 -4.266 129 HA ILE 17 HA ILE 17 -4.191 -3.770 -1.302 130 HB ILE 17 HB ILE 17 -5.532 -2.314 -3.593 131 HG12 ILE 17 2HG1 ILE 17 -4.043 -1.046 -1.266 132 HG13 ILE 17 3HG1 ILE 17 -3.114 -1.724 -2.574 133 HG21 ILE 17 1HG2 ILE 17 -6.772 -1.044 -1.846 134 HG22 ILE 17 2HG2 ILE 17 -7.214 -2.754 -1.826 135 HG23 ILE 17 3HG2 ILE 17 -6.101 -2.110 -0.594 136 HD11 ILE 17 3HD1 ILE 17 -5.223 0.408 -2.959 137 HD12 ILE 17 1HD1 ILE 17 -3.456 0.624 -2.981 138 HD13 ILE 17 2HD1 ILE 17 -4.229 -0.361 -4.221 139 H THR 18 H THR 18 -5.689 -5.084 -0.385 140 HA THR 18 HA THR 18 -7.502 -6.623 -2.140 141 HB THR 18 HB THR 18 -6.067 -8.186 -0.048 142 HG1 THR 18 1HG THR 18 -4.770 -7.003 -2.189 143 HG21 THR 18 3HG2 THR 18 -7.742 -9.167 -1.655 144 HG22 THR 18 1HG2 THR 18 -6.156 -9.953 -1.708 145 HG23 THR 18 2HG2 THR 18 -6.609 -8.795 -2.979 146 H ALA 19 H ALA 19 -9.289 -7.518 -1.013 147 HA ALA 19 HA ALA 19 -9.975 -6.098 1.484 148 HB1 ALA 19 1HB ALA 19 -11.645 -6.246 -0.350 149 HB2 ALA 19 2HB ALA 19 -11.556 -8.027 -0.286 150 HB3 ALA 19 3HB ALA 19 -12.214 -7.120 1.087 151 H ILE 20 H ILE 20 -10.635 -7.125 3.400 152 HA ILE 20 HA ILE 20 -10.010 -9.981 3.707 153 HB ILE 20 HB ILE 20 -9.014 -9.205 5.995 154 HG12 ILE 20 2HG1 ILE 20 -8.206 -6.827 4.296 155 HG13 ILE 20 3HG1 ILE 20 -9.361 -6.832 5.625 156 HG21 ILE 20 1HG2 ILE 20 -7.905 -10.595 4.396 157 HG22 ILE 20 2HG2 ILE 20 -7.429 -9.191 3.409 158 HG23 ILE 20 3HG2 ILE 20 -6.748 -9.432 5.037 159 HD11 ILE 20 3HD1 ILE 20 -7.363 -6.015 6.566 160 HD12 ILE 20 1HD1 ILE 20 -7.479 -7.686 7.115 161 HD13 ILE 20 2HD1 ILE 20 -6.384 -7.264 5.781 162 H ARG 21 H ARG 21 -11.431 -10.999 4.859 163 HA ARG 21 HA ARG 21 -13.184 -9.640 6.715 164 HB2 ARG 21 2HB ARG 21 -15.224 -10.709 5.681 165 HB3 ARG 21 3HB ARG 21 -14.548 -9.312 4.872 166 HG2 ARG 21 2HG ARG 21 -15.258 -10.870 3.237 167 HG3 ARG 21 3HG ARG 21 -13.509 -10.766 3.141 168 HD2 ARG 21 2HD ARG 21 -13.237 -12.946 4.100 169 HD3 ARG 21 3HD ARG 21 -14.906 -12.956 4.719 170 HE ARG 21 HE ARG 21 -14.955 -12.642 1.898 171 HH11 ARG 21 1HH1 ARG 21 -14.164 -15.216 4.297 172 HH12 ARG 21 2HH1 ARG 21 -14.956 -16.435 3.341 173 HH21 ARG 21 1HH2 ARG 21 -15.973 -14.375 0.697 174 HH22 ARG 21 2HH2 ARG 21 -16.038 -15.951 1.369 175 H ALA 22 H ALA 22 -14.528 -11.282 7.882 176 HA ALA 22 HA ALA 22 -13.226 -13.923 8.176 177 HB1 ALA 22 1HB ALA 22 -13.302 -13.586 10.648 178 HB2 ALA 22 2HB ALA 22 -12.246 -12.381 9.884 179 HB3 ALA 22 3HB ALA 22 -13.888 -11.936 10.408 180 H GLN 23 H GLN 23 -14.733 -15.312 9.559 181 HA GLN 23 HA GLN 23 -17.501 -14.967 8.578 182 HB2 GLN 23 2HB GLN 23 -17.847 -17.229 9.270 183 HB3 GLN 23 3HB GLN 23 -16.249 -17.184 8.531 184 HG2 GLN 23 2HG GLN 23 -15.411 -16.809 11.005 185 HG3 GLN 23 3HG GLN 23 -17.007 -17.402 11.444 186 HE21 GLN 23 1HE2 GLN 23 -13.858 -18.403 11.074 187 HE22 GLN 23 2HE2 GLN 23 -14.117 -20.080 10.614 188 H GLY 24 H GLY 24 -19.298 -15.468 10.425 189 HA2 GLY 24 2HA GLY 24 -18.968 -13.436 12.474 190 HA3 GLY 24 3HA GLY 24 -20.361 -14.499 12.205 191 H ALA 25 H ALA 25 -19.410 -16.972 12.373 192 HA ALA 25 HA ALA 25 -19.192 -17.593 15.090 193 HB1 ALA 25 1HB ALA 25 -18.404 -19.263 12.664 194 HB2 ALA 25 2HB ALA 25 -18.687 -19.885 14.302 195 HB3 ALA 25 3HB ALA 25 -20.019 -19.149 13.393 196 H GLY 26 H GLY 26 -17.596 -16.975 16.400 197 HA2 GLY 26 2HA GLY 26 -14.733 -17.424 15.629 198 HA3 GLY 26 3HA GLY 26 -15.293 -16.050 16.577 199 H GLY 27 H GLY 27 -13.359 -18.072 17.416 200 HA2 GLY 27 2HA GLY 27 -14.790 -19.732 19.416 201 HA3 GLY 27 3HA GLY 27 -13.077 -19.806 18.989 202 H GLN 28 H GLN 28 -14.038 -16.569 19.470 203 HA GLN 28 HA GLN 28 -13.311 -16.511 22.344 204 HB2 GLN 28 2HB GLN 28 -12.158 -14.687 20.175 205 HB3 GLN 28 3HB GLN 28 -11.832 -14.622 21.901 206 HG2 GLN 28 2HG GLN 28 -9.934 -15.581 20.927 207 HG3 GLN 28 3HG GLN 28 -10.772 -16.882 21.781 208 HE21 GLN 28 1HE2 GLN 28 -10.182 -18.737 20.550 209 HE22 GLN 28 2HE2 GLN 28 -10.397 -18.791 18.793 210 H HIS 29 H HIS 29 -13.538 -13.817 22.775 211 HA HIS 29 HA HIS 29 -16.419 -13.413 22.477 212 HB2 HIS 29 2HB HIS 29 -15.454 -12.750 24.573 213 HB3 HIS 29 3HB HIS 29 -14.198 -11.806 23.774 214 HD1 HIS 29 1HD HIS 29 -14.852 -9.336 22.990 215 HD2 HIS 29 2HD HIS 29 -18.007 -11.629 24.600 216 HE1 HIS 29 1HE HIS 29 -16.833 -7.745 23.304 217 H VAL 30 H VAL 30 -16.914 -13.071 20.314 218 HA VAL 30 HA VAL 30 -16.019 -10.549 19.182 219 HB VAL 30 HB VAL 30 -14.275 -12.042 18.401 220 HG11 VAL 30 1HG1 VAL 30 -15.373 -14.223 18.531 221 HG12 VAL 30 2HG1 VAL 30 -16.439 -13.795 17.176 222 HG13 VAL 30 3HG1 VAL 30 -14.684 -13.946 16.930 223 HG21 VAL 30 3HG2 VAL 30 -15.060 -10.297 16.838 224 HG22 VAL 30 1HG2 VAL 30 -14.416 -11.706 16.018 225 HG23 VAL 30 2HG2 VAL 30 -16.171 -11.463 16.102 226 H ASN 31 H ASN 31 -17.498 -9.642 17.904 227 HA ASN 31 HA ASN 31 -19.808 -11.119 16.933 228 HB2 ASN 31 2HB ASN 31 -20.415 -10.694 19.337 229 HB3 ASN 31 3HB ASN 31 -20.297 -8.958 19.017 230 HD21 ASN 31 1HD2 ASN 31 -21.799 -11.864 17.378 231 HD22 ASN 31 2HD2 ASN 31 -23.334 -11.059 17.113 232 H LYS 32 H LYS 32 -17.746 -8.329 16.892 233 HA LYS 32 HA LYS 32 -19.546 -6.702 15.269 234 HB2 LYS 32 2HB LYS 32 -17.588 -5.967 16.881 235 HB3 LYS 32 3HB LYS 32 -16.536 -6.365 15.514 236 HG2 LYS 32 2HG LYS 32 -17.932 -4.733 14.116 237 HG3 LYS 32 3HG LYS 32 -18.837 -4.362 15.573 238 HD2 LYS 32 2HD LYS 32 -17.192 -2.657 15.187 239 HD3 LYS 32 3HD LYS 32 -16.803 -3.512 16.661 240 HE2 LYS 32 2HE LYS 32 -14.809 -2.990 15.264 241 HE3 LYS 32 3HE LYS 32 -14.991 -4.721 15.564 242 HZ1 LYS 32 3HZ LYS 32 -14.424 -4.065 13.247 243 HZ2 LYS 32 1HZ LYS 32 -15.913 -3.431 13.065 244 HZ3 LYS 32 2HZ LYS 32 -15.719 -5.038 13.326 245 H THR 33 H THR 33 -18.878 -6.029 12.982 246 HA THR 33 HA THR 33 -18.306 -8.355 11.368 247 HB THR 33 HB THR 33 -18.582 -6.588 9.555 248 HG1 THR 33 1HG THR 33 -19.136 -4.632 10.050 249 HG21 THR 33 3HG2 THR 33 -20.993 -6.313 9.876 250 HG22 THR 33 1HG2 THR 33 -20.848 -6.733 11.597 251 HG23 THR 33 2HG2 THR 33 -20.495 -7.948 10.343 252 H SER 34 H SER 34 -16.653 -8.012 9.504 253 HA SER 34 HA SER 34 -14.052 -7.155 10.663 254 HB2 SER 34 2HB SER 34 -13.304 -8.453 8.515 255 HB3 SER 34 3HB SER 34 -13.723 -9.322 10.007 256 HG SER 34 HG SER 34 -15.782 -9.728 9.150 257 H THR 35 H THR 35 -15.198 -7.384 7.310 258 HA THR 35 HA THR 35 -14.939 -6.002 5.542 259 HB THR 35 HB THR 35 -16.031 -3.753 7.294 260 HG1 THR 35 1HG THR 35 -17.948 -4.796 7.465 261 HG21 THR 35 3HG2 THR 35 -17.512 -3.511 5.320 262 HG22 THR 35 1HG2 THR 35 -16.679 -4.902 4.547 263 HG23 THR 35 2HG2 THR 35 -15.791 -3.410 4.914 264 H ALA 36 H ALA 36 -12.380 -6.218 6.740 265 HA ALA 36 HA ALA 36 -11.275 -3.468 6.869 266 HB1 ALA 36 1HB ALA 36 -9.330 -4.690 7.838 267 HB2 ALA 36 2HB ALA 36 -10.850 -5.122 8.662 268 HB3 ALA 36 3HB ALA 36 -10.139 -6.237 7.522 269 H ILE 37 H ILE 37 -8.840 -3.429 6.015 270 HA ILE 37 HA ILE 37 -8.764 -4.540 3.256 271 HB ILE 37 HB ILE 37 -8.280 -1.674 4.135 272 HG12 ILE 37 2HG1 ILE 37 -10.583 -2.190 3.402 273 HG13 ILE 37 3HG1 ILE 37 -9.772 -1.085 2.303 274 HG21 ILE 37 1HG2 ILE 37 -6.330 -2.088 2.835 275 HG22 ILE 37 2HG2 ILE 37 -7.214 -3.047 1.635 276 HG23 ILE 37 3HG2 ILE 37 -7.449 -1.316 1.733 277 HD11 ILE 37 3HD1 ILE 37 -10.996 -2.652 0.980 278 HD12 ILE 37 1HD1 ILE 37 -9.300 -3.067 0.763 279 HD13 ILE 37 2HD1 ILE 37 -10.334 -4.033 1.846 280 H HIS 38 H HIS 38 -6.879 -5.184 2.540 281 HA HIS 38 HA HIS 38 -4.600 -5.383 4.403 282 HB2 HIS 38 2HB HIS 38 -5.939 -7.466 3.517 283 HB3 HIS 38 3HB HIS 38 -5.173 -7.139 1.975 284 HD1 HIS 38 1HD HIS 38 -2.642 -8.063 1.766 285 HD2 HIS 38 2HD HIS 38 -4.356 -8.132 5.619 286 HE1 HIS 38 1HE HIS 38 -1.054 -9.382 3.221 287 H LEU 39 H LEU 39 -2.935 -4.149 3.763 288 HA LEU 39 HA LEU 39 -2.769 -3.192 0.926 289 HB2 LEU 39 2HB LEU 39 -3.383 -1.411 2.413 290 HB3 LEU 39 3HB LEU 39 -2.095 -1.774 3.517 291 HG LEU 39 HG LEU 39 -1.652 -0.790 0.659 292 HD11 LEU 39 1HD1 LEU 39 -1.543 0.840 3.198 293 HD12 LEU 39 2HD1 LEU 39 -2.833 0.905 1.946 294 HD13 LEU 39 3HD1 LEU 39 -1.201 1.394 1.547 295 HD21 LEU 39 3HD2 LEU 39 0.440 -1.696 1.344 296 HD22 LEU 39 1HD2 LEU 39 0.170 -1.254 3.042 297 HD23 LEU 39 2HD2 LEU 39 0.577 -0.009 1.874 298 H ARG 40 H ARG 40 -1.230 -4.374 -0.062 299 HA ARG 40 HA ARG 40 1.153 -5.250 1.472 300 HB2 ARG 40 2HB ARG 40 -0.382 -7.070 0.787 301 HB3 ARG 40 3HB ARG 40 -0.266 -6.553 -0.899 302 HG2 ARG 40 2HG ARG 40 2.167 -7.067 -0.917 303 HG3 ARG 40 3HG ARG 40 2.068 -7.430 0.834 304 HD2 ARG 40 2HD ARG 40 1.975 -9.556 -0.061 305 HD3 ARG 40 3HD ARG 40 0.268 -9.150 0.211 306 HE ARG 40 HE ARG 40 -0.139 -9.228 -2.047 307 HH11 ARG 40 1HH1 ARG 40 3.458 -8.765 -2.160 308 HH12 ARG 40 2HH1 ARG 40 3.585 -9.968 -3.317 309 HH21 ARG 40 1HH2 ARG 40 0.267 -10.454 -3.953 310 HH22 ARG 40 2HH2 ARG 40 1.894 -10.582 -4.539 311 H PHE 41 H PHE 41 3.002 -4.303 0.721 312 HA PHE 41 HA PHE 41 2.995 -3.138 -2.026 313 HB2 PHE 41 2HB PHE 41 2.668 -1.280 -0.515 314 HB3 PHE 41 3HB PHE 41 3.967 -1.846 0.545 315 HD1 PHE 41 2HD PHE 41 3.681 -1.302 -3.183 316 HD2 PHE 41 1HD PHE 41 5.759 -0.365 0.467 317 HE1 PHE 41 2HE PHE 41 5.277 0.060 -4.452 318 HE2 PHE 41 1HE PHE 41 7.387 0.997 -0.792 319 HZ PHE 41 HZ PHE 41 7.151 1.237 -3.268 320 H ASP 42 H ASP 42 4.373 -4.226 -3.180 321 HA ASP 42 HA ASP 42 6.588 -5.770 -2.035 322 HB2 ASP 42 2HB ASP 42 5.384 -5.436 -4.821 323 HB3 ASP 42 3HB ASP 42 6.920 -6.266 -4.530 324 H ILE 43 H ILE 43 8.191 -4.274 -1.417 325 HA ILE 43 HA ILE 43 8.734 -1.860 -2.825 326 HB ILE 43 HB ILE 43 10.765 -3.495 -1.268 327 HG12 ILE 43 2HG1 ILE 43 10.041 -1.445 0.411 328 HG13 ILE 43 3HG1 ILE 43 8.472 -1.826 -0.289 329 HG21 ILE 43 1HG2 ILE 43 10.633 -0.529 -1.891 330 HG22 ILE 43 2HG2 ILE 43 11.879 -1.349 -0.921 331 HG23 ILE 43 3HG2 ILE 43 11.715 -1.692 -2.648 332 HD11 ILE 43 3HD1 ILE 43 8.562 -4.049 0.587 333 HD12 ILE 43 1HD1 ILE 43 10.334 -3.974 0.814 334 HD13 ILE 43 2HD1 ILE 43 9.292 -3.034 1.845 335 H ARG 44 H ARG 44 10.126 -5.165 -3.192 336 HA ARG 44 HA ARG 44 12.144 -4.550 -5.063 337 HB2 ARG 44 2HB ARG 44 10.369 -7.012 -4.709 338 HB3 ARG 44 3HB ARG 44 11.638 -6.947 -5.913 339 HG2 ARG 44 2HG ARG 44 12.033 -6.752 -2.909 340 HG3 ARG 44 3HG ARG 44 12.433 -8.117 -3.948 341 HD2 ARG 44 2HD ARG 44 13.723 -5.388 -3.886 342 HD3 ARG 44 3HD ARG 44 14.479 -6.944 -3.488 343 HE ARG 44 HE ARG 44 13.903 -7.431 -5.993 344 HH11 ARG 44 1HH1 ARG 44 15.675 -4.640 -4.678 345 HH12 ARG 44 2HH1 ARG 44 16.047 -3.978 -6.230 346 HH21 ARG 44 1HH2 ARG 44 14.433 -6.555 -8.041 347 HH22 ARG 44 2HH2 ARG 44 15.383 -5.144 -8.189 348 H ALA 45 H ALA 45 8.706 -4.884 -5.565 349 HA ALA 45 HA ALA 45 8.914 -4.739 -8.477 350 HB1 ALA 45 1HB ALA 45 6.540 -5.246 -8.420 351 HB2 ALA 45 2HB ALA 45 7.326 -6.289 -7.208 352 HB3 ALA 45 3HB ALA 45 6.441 -4.834 -6.704 353 H SER 46 H SER 46 9.114 -2.330 -6.230 354 HA SER 46 HA SER 46 7.150 -0.578 -7.556 355 HB2 SER 46 2HB SER 46 7.372 0.801 -5.628 356 HB3 SER 46 3HB SER 46 7.225 -0.883 -5.097 357 HG SER 46 HG SER 46 9.473 -0.930 -4.802 358 H SER 47 H SER 47 7.782 1.707 -8.005 359 HA SER 47 HA SER 47 10.177 1.909 -9.582 360 HB2 SER 47 2HB SER 47 7.867 2.921 -9.990 361 HB3 SER 47 3HB SER 47 8.230 4.090 -8.707 362 HG SER 47 HG SER 47 9.132 5.184 -10.243 363 H LEU 48 H LEU 48 9.958 1.875 -6.288 364 HA LEU 48 HA LEU 48 11.146 4.244 -5.441 365 HB2 LEU 48 2HB LEU 48 11.210 1.412 -4.327 366 HB3 LEU 48 3HB LEU 48 12.069 2.698 -3.500 367 HG LEU 48 HG LEU 48 9.076 2.788 -4.092 368 HD11 LEU 48 1HD1 LEU 48 8.916 2.547 -1.562 369 HD12 LEU 48 2HD1 LEU 48 10.625 2.059 -1.576 370 HD13 LEU 48 3HD1 LEU 48 9.401 1.102 -2.449 371 HD21 LEU 48 3HD2 LEU 48 10.124 5.013 -3.878 372 HD22 LEU 48 1HD2 LEU 48 10.868 4.540 -2.348 373 HD23 LEU 48 2HD2 LEU 48 9.114 4.677 -2.492 374 HA PRO 49 HA PRO 49 15.314 4.175 -6.744 375 HB2 PRO 49 2HB PRO 49 16.583 5.561 -4.716 376 HB3 PRO 49 3HB PRO 49 15.518 6.334 -5.912 377 HG2 PRO 49 2HG PRO 49 14.830 5.458 -3.151 378 HG3 PRO 49 3HG PRO 49 14.443 7.020 -3.942 379 HD2 PRO 49 2HD PRO 49 12.641 5.001 -3.779 380 HD3 PRO 49 3HD PRO 49 12.700 6.015 -5.246 381 H GLU 50 H GLU 50 17.276 3.045 -6.347 382 HA GLU 50 HA GLU 50 17.135 0.666 -4.929 383 HB2 GLU 50 2HB GLU 50 19.488 0.401 -5.393 384 HB3 GLU 50 3HB GLU 50 18.638 1.094 -6.775 385 HG2 GLU 50 2HG GLU 50 19.470 3.412 -5.707 386 HG3 GLU 50 3HG GLU 50 20.684 2.371 -4.960 387 H TYR 51 H TYR 51 18.492 3.777 -3.803 388 HA TYR 51 HA TYR 51 19.540 2.911 -1.357 389 HB2 TYR 51 2HB TYR 51 19.831 5.173 -2.333 390 HB3 TYR 51 3HB TYR 51 18.154 5.559 -1.981 391 HD1 TYR 51 2HD TYR 51 17.411 5.889 0.365 392 HD2 TYR 51 1HD TYR 51 21.541 5.222 -0.588 393 HE1 TYR 51 2HE TYR 51 18.062 6.656 2.662 394 HE2 TYR 51 1HE TYR 51 22.196 6.021 1.651 395 HH TYR 51 HH TYR 51 21.462 6.811 3.698 396 H TYR 52 H TYR 52 16.138 3.783 -2.153 397 HA TYR 52 HA TYR 52 15.225 3.381 0.598 398 HB2 TYR 52 2HB TYR 52 13.716 3.709 -2.012 399 HB3 TYR 52 3HB TYR 52 12.932 3.204 -0.543 400 HD1 TYR 52 2HD TYR 52 15.623 5.863 -0.939 401 HD2 TYR 52 1HD TYR 52 11.524 4.959 0.053 402 HE1 TYR 52 2HE TYR 52 15.368 8.119 -0.015 403 HE2 TYR 52 1HE TYR 52 11.240 7.255 0.908 404 HH TYR 52 HH TYR 52 14.003 9.441 1.300 405 H LYS 53 H LYS 53 15.348 1.430 -2.445 406 HA LYS 53 HA LYS 53 13.864 -0.753 -1.455 407 HB2 LYS 53 2HB LYS 53 16.150 -0.788 -3.473 408 HB3 LYS 53 3HB LYS 53 15.126 -2.155 -3.100 409 HG2 LYS 53 2HG LYS 53 13.173 -0.328 -3.629 410 HG3 LYS 53 3HG LYS 53 14.461 0.357 -4.607 411 HD2 LYS 53 2HD LYS 53 14.694 -1.755 -5.832 412 HD3 LYS 53 3HD LYS 53 13.448 -2.514 -4.811 413 HE2 LYS 53 2HE LYS 53 11.769 -0.907 -5.601 414 HE3 LYS 53 3HE LYS 53 12.987 -0.035 -6.525 415 HZ1 LYS 53 3HZ LYS 53 12.124 -2.813 -7.148 416 HZ2 LYS 53 1HZ LYS 53 13.207 -1.870 -7.994 417 HZ3 LYS 53 2HZ LYS 53 11.664 -1.441 -7.900 418 H GLU 54 H GLU 54 17.377 -0.186 -1.190 419 HA GLU 54 HA GLU 54 17.903 -2.507 0.389 420 HB2 GLU 54 2HB GLU 54 19.363 0.185 0.375 421 HB3 GLU 54 3HB GLU 54 19.963 -1.307 1.087 422 HG2 GLU 54 2HG GLU 54 19.698 -2.391 -1.150 423 HG3 GLU 54 3HG GLU 54 19.442 -0.817 -1.868 424 H ARG 55 H ARG 55 17.042 0.809 1.287 425 HA ARG 55 HA ARG 55 17.446 0.448 4.130 426 HB2 ARG 55 2HB ARG 55 16.189 2.563 2.452 427 HB3 ARG 55 3HB ARG 55 15.486 2.368 4.043 428 HG2 ARG 55 2HG ARG 55 17.278 4.021 4.201 429 HG3 ARG 55 3HG ARG 55 17.744 2.561 5.091 430 HD2 ARG 55 2HD ARG 55 18.867 1.825 2.908 431 HD3 ARG 55 3HD ARG 55 18.702 3.507 2.364 432 HE ARG 55 HE ARG 55 19.952 3.317 4.955 433 HH11 ARG 55 1HH1 ARG 55 20.710 2.844 1.501 434 HH12 ARG 55 2HH1 ARG 55 22.388 3.225 1.672 435 HH21 ARG 55 1HH2 ARG 55 22.153 3.599 5.214 436 HH22 ARG 55 2HH2 ARG 55 23.254 3.612 3.868 437 H LEU 56 H LEU 56 14.550 0.037 2.152 438 HA LEU 56 HA LEU 56 12.860 -0.698 4.394 439 HB2 LEU 56 2HB LEU 56 12.615 -1.058 1.385 440 HB3 LEU 56 3HB LEU 56 11.314 -1.367 2.503 441 HG LEU 56 HG LEU 56 12.636 1.336 1.939 442 HD11 LEU 56 1HD1 LEU 56 10.994 0.634 0.279 443 HD12 LEU 56 2HD1 LEU 56 10.488 2.077 1.162 444 HD13 LEU 56 3HD1 LEU 56 9.752 0.502 1.566 445 HD21 LEU 56 3HD2 LEU 56 12.253 1.424 4.245 446 HD22 LEU 56 1HD2 LEU 56 10.607 0.757 4.068 447 HD23 LEU 56 2HD2 LEU 56 11.018 2.367 3.433 448 H LEU 57 H LEU 57 14.730 -2.596 1.929 449 HA LEU 57 HA LEU 57 13.754 -5.130 2.846 450 HB2 LEU 57 2HB LEU 57 16.205 -4.187 1.295 451 HB3 LEU 57 3HB LEU 57 16.099 -5.863 1.790 452 HG LEU 57 HG LEU 57 13.832 -4.623 0.217 453 HD11 LEU 57 1HD1 LEU 57 15.968 -4.286 -1.064 454 HD12 LEU 57 2HD1 LEU 57 14.930 -5.513 -1.829 455 HD13 LEU 57 3HD1 LEU 57 16.315 -6.012 -0.886 456 HD21 LEU 57 3HD2 LEU 57 14.841 -7.483 0.509 457 HD22 LEU 57 1HD2 LEU 57 13.464 -6.958 -0.473 458 HD23 LEU 57 2HD2 LEU 57 13.428 -6.809 1.303 459 H ALA 58 H ALA 58 16.651 -3.201 3.765 460 HA ALA 58 HA ALA 58 17.703 -5.348 5.395 461 HB1 ALA 58 1HB ALA 58 19.419 -3.742 5.984 462 HB2 ALA 58 2HB ALA 58 19.097 -3.590 4.241 463 HB3 ALA 58 3HB ALA 58 18.421 -2.402 5.386 464 H ALA 59 H ALA 59 15.083 -3.213 5.874 465 HA ALA 59 HA ALA 59 15.568 -2.497 8.583 466 HB1 ALA 59 1HB ALA 59 13.516 -1.534 8.423 467 HB2 ALA 59 2HB ALA 59 13.952 -1.587 6.713 468 HB3 ALA 59 3HB ALA 59 12.826 -2.802 7.350 469 H SER 60 H SER 60 13.949 -3.194 10.336 470 HA SER 60 HA SER 60 13.327 -6.100 10.231 471 HB2 SER 60 2HB SER 60 15.585 -5.269 11.433 472 HB3 SER 60 3HB SER 60 14.470 -4.890 12.748 473 HG SER 60 HG SER 60 15.155 -7.001 12.961 474 H HIS 61 H HIS 61 11.103 -5.848 10.092 475 HA HIS 61 HA HIS 61 9.827 -4.395 12.349 476 HB2 HIS 61 2HB HIS 61 9.865 -3.201 9.969 477 HB3 HIS 61 3HB HIS 61 8.612 -4.350 9.620 478 HD1 HIS 61 1HD HIS 61 6.828 -4.103 12.367 479 HD2 HIS 61 2HD HIS 61 8.603 -0.976 10.145 480 HE1 HIS 61 1HE HIS 61 5.459 -2.047 12.789 481 H HIS 62 H HIS 62 8.237 -5.523 13.239 482 HA HIS 62 HA HIS 62 7.691 -8.203 12.653 483 HB2 HIS 62 2HB HIS 62 6.125 -8.022 14.435 484 HB3 HIS 62 3HB HIS 62 7.491 -7.022 14.834 485 HD1 HIS 62 1HD HIS 62 7.046 -4.299 14.872 486 HD2 HIS 62 2HD HIS 62 3.726 -6.809 14.117 487 HE1 HIS 62 1HE HIS 62 4.956 -2.853 15.038 488 H LEU 63 H LEU 63 6.722 -5.695 10.708 489 HA LEU 63 HA LEU 63 4.187 -6.969 9.788 490 HB2 LEU 63 2HB LEU 63 5.106 -4.073 9.612 491 HB3 LEU 63 3HB LEU 63 3.631 -4.709 8.903 492 HG LEU 63 HG LEU 63 4.244 -4.516 11.866 493 HD11 LEU 63 1HD1 LEU 63 2.490 -2.798 11.870 494 HD12 LEU 63 2HD1 LEU 63 2.268 -3.006 10.115 495 HD13 LEU 63 3HD1 LEU 63 3.790 -2.353 10.754 496 HD21 LEU 63 3HD2 LEU 63 1.858 -5.153 12.199 497 HD22 LEU 63 1HD2 LEU 63 2.790 -6.468 11.476 498 HD23 LEU 63 2HD2 LEU 63 1.711 -5.485 10.459 499 H ILE 64 H ILE 64 7.498 -6.547 8.951 500 HA ILE 64 HA ILE 64 6.865 -6.532 6.038 501 HB ILE 64 HB ILE 64 9.392 -5.837 7.600 502 HG12 ILE 64 2HG1 ILE 64 7.469 -4.019 6.103 503 HG13 ILE 64 3HG1 ILE 64 7.492 -4.146 7.822 504 HG21 ILE 64 1HG2 ILE 64 9.927 -6.663 5.300 505 HG22 ILE 64 2HG2 ILE 64 8.853 -5.414 4.612 506 HG23 ILE 64 3HG2 ILE 64 10.351 -5.033 5.535 507 HD11 ILE 64 3HD1 ILE 64 10.194 -3.536 7.206 508 HD12 ILE 64 1HD1 ILE 64 9.189 -2.506 6.159 509 HD13 ILE 64 2HD1 ILE 64 8.951 -2.480 7.900 510 H SER 65 H SER 65 8.128 -7.938 4.721 511 HA SER 65 HA SER 65 9.049 -10.462 6.009 512 HB2 SER 65 2HB SER 65 6.980 -10.615 4.581 513 HB3 SER 65 3HB SER 65 7.909 -9.980 3.213 514 HG SER 65 HG SER 65 7.689 -12.326 3.433 515 H SER 66 H SER 66 11.108 -11.061 5.474 516 HA SER 66 HA SER 66 13.091 -9.277 4.612 517 HB2 SER 66 2HB SER 66 13.410 -11.302 6.018 518 HB3 SER 66 3HB SER 66 12.971 -12.331 4.651 519 HG SER 66 HG SER 66 15.272 -10.682 4.945 520 H ASP 67 H ASP 67 10.882 -11.149 2.782 521 HA ASP 67 HA ASP 67 12.169 -11.730 0.361 522 HB2 ASP 67 2HB ASP 67 9.940 -12.494 1.435 523 HB3 ASP 67 3HB ASP 67 9.239 -11.010 0.808 524 H GLY 68 H GLY 68 10.498 -8.856 1.564 525 HA2 GLY 68 2HA GLY 68 11.351 -6.672 0.836 526 HA3 GLY 68 3HA GLY 68 11.279 -7.268 -0.835 527 H VAL 69 H VAL 69 8.888 -7.787 1.808 528 HA VAL 69 HA VAL 69 6.946 -6.101 0.335 529 HB VAL 69 HB VAL 69 6.433 -8.881 1.470 530 HG11 VAL 69 1HG1 VAL 69 4.430 -7.482 1.494 531 HG12 VAL 69 2HG1 VAL 69 4.697 -7.027 -0.208 532 HG13 VAL 69 3HG1 VAL 69 4.296 -8.704 0.226 533 HG21 VAL 69 3HG2 VAL 69 7.807 -9.232 -0.500 534 HG22 VAL 69 1HG2 VAL 69 6.144 -9.603 -0.919 535 HG23 VAL 69 2HG2 VAL 69 6.850 -8.063 -1.432 536 H ILE 70 H ILE 70 5.700 -4.886 1.624 537 HA ILE 70 HA ILE 70 5.893 -5.083 4.599 538 HB ILE 70 HB ILE 70 5.108 -2.745 2.791 539 HG12 ILE 70 2HG1 ILE 70 7.501 -2.564 4.598 540 HG13 ILE 70 3HG1 ILE 70 7.671 -3.463 3.103 541 HG21 ILE 70 1HG2 ILE 70 5.180 -1.383 4.895 542 HG22 ILE 70 2HG2 ILE 70 3.937 -2.615 4.972 543 HG23 ILE 70 3HG2 ILE 70 5.458 -2.874 5.826 544 HD11 ILE 70 3HD1 ILE 70 7.013 -1.499 1.818 545 HD12 ILE 70 1HD1 ILE 70 6.624 -0.596 3.316 546 HD13 ILE 70 2HD1 ILE 70 8.313 -1.056 2.941 547 H VAL 71 H VAL 71 3.892 -5.444 5.701 548 HA VAL 71 HA VAL 71 1.423 -5.513 4.029 549 HB VAL 71 HB VAL 71 2.325 -7.409 6.226 550 HG11 VAL 71 1HG1 VAL 71 -0.247 -7.248 4.621 551 HG12 VAL 71 2HG1 VAL 71 0.240 -8.664 5.595 552 HG13 VAL 71 3HG1 VAL 71 -0.073 -7.115 6.381 553 HG21 VAL 71 3HG2 VAL 71 3.481 -7.905 4.106 554 HG22 VAL 71 1HG2 VAL 71 2.255 -9.126 4.411 555 HG23 VAL 71 2HG2 VAL 71 1.937 -7.840 3.226 556 H ILE 72 H ILE 72 -0.263 -4.339 4.818 557 HA ILE 72 HA ILE 72 -0.240 -3.404 7.644 558 HB ILE 72 HB ILE 72 -0.742 -1.829 5.110 559 HG12 ILE 72 2HG1 ILE 72 1.413 -1.550 7.245 560 HG13 ILE 72 3HG1 ILE 72 1.633 -2.163 5.601 561 HG21 ILE 72 1HG2 ILE 72 -2.358 -1.140 6.911 562 HG22 ILE 72 2HG2 ILE 72 -0.959 -0.752 7.944 563 HG23 ILE 72 3HG2 ILE 72 -1.249 0.124 6.429 564 HD11 ILE 72 3HD1 ILE 72 2.374 -0.021 5.398 565 HD12 ILE 72 1HD1 ILE 72 0.714 0.091 4.794 566 HD13 ILE 72 2HD1 ILE 72 1.089 0.648 6.440 567 H LYS 73 H LYS 73 -2.340 -3.239 8.551 568 HA LYS 73 HA LYS 73 -4.593 -4.276 6.908 569 HB2 LYS 73 2HB LYS 73 -3.976 -5.216 9.743 570 HB3 LYS 73 3HB LYS 73 -5.255 -5.780 8.657 571 HG2 LYS 73 2HG LYS 73 -3.435 -6.594 7.079 572 HG3 LYS 73 3HG LYS 73 -2.240 -6.121 8.297 573 HD2 LYS 73 2HD LYS 73 -3.327 -7.705 9.919 574 HD3 LYS 73 3HD LYS 73 -4.316 -8.320 8.560 575 HE2 LYS 73 2HE LYS 73 -2.294 -8.899 7.300 576 HE3 LYS 73 3HE LYS 73 -1.270 -8.102 8.490 577 HZ1 LYS 73 3HZ LYS 73 -2.781 -10.601 8.959 578 HZ2 LYS 73 1HZ LYS 73 -1.881 -9.811 10.104 579 HZ3 LYS 73 2HZ LYS 73 -1.184 -10.434 8.785 580 H ALA 74 H ALA 74 -5.623 -2.312 6.774 581 HA ALA 74 HA ALA 74 -5.953 -0.674 9.243 582 HB1 ALA 74 1HB ALA 74 -7.160 0.917 7.701 583 HB2 ALA 74 2HB ALA 74 -5.473 0.640 7.272 584 HB3 ALA 74 3HB ALA 74 -6.767 -0.180 6.365 585 H GLN 75 H GLN 75 -7.765 -0.649 10.393 586 HA GLN 75 HA GLN 75 -10.322 -1.598 9.404 587 HB2 GLN 75 2HB GLN 75 -10.371 -3.212 11.512 588 HB3 GLN 75 3HB GLN 75 -9.884 -3.711 9.918 589 HG2 GLN 75 2HG GLN 75 -7.437 -3.418 10.642 590 HG3 GLN 75 3HG GLN 75 -8.061 -3.257 12.284 591 HE21 GLN 75 1HE2 GLN 75 -7.518 -5.388 9.530 592 HE22 GLN 75 2HE2 GLN 75 -8.004 -6.889 10.267 593 H GLU 76 H GLU 76 -11.464 0.084 10.076 594 HA GLU 76 HA GLU 76 -11.604 0.855 12.916 595 HB2 GLU 76 2HB GLU 76 -10.211 2.451 10.773 596 HB3 GLU 76 3HB GLU 76 -11.363 3.348 11.759 597 HG2 GLU 76 2HG GLU 76 -10.254 2.836 13.779 598 HG3 GLU 76 3HG GLU 76 -9.252 1.611 12.999 599 H TYR 77 H TYR 77 -12.435 1.719 9.538 600 HA TYR 77 HA TYR 77 -14.997 2.857 10.341 601 HB2 TYR 77 2HB TYR 77 -13.812 2.384 7.619 602 HB3 TYR 77 3HB TYR 77 -15.231 3.344 7.979 603 HD1 TYR 77 1HD TYR 77 -11.505 3.193 8.849 604 HD2 TYR 77 2HD TYR 77 -15.010 5.675 8.313 605 HE1 TYR 77 1HE TYR 77 -10.126 5.139 9.115 606 HE2 TYR 77 2HE TYR 77 -13.571 7.652 8.352 607 HH TYR 77 HH TYR 77 -10.044 7.454 9.136 608 H ARG 78 H ARG 78 -17.087 2.167 9.239 609 HA ARG 78 HA ARG 78 -17.389 -0.742 9.504 610 HB2 ARG 78 2HB ARG 78 -19.250 1.594 9.142 611 HB3 ARG 78 3HB ARG 78 -19.810 -0.075 9.010 612 HG2 ARG 78 2HG ARG 78 -18.963 -0.610 11.231 613 HG3 ARG 78 3HG ARG 78 -18.365 1.043 11.454 614 HD2 ARG 78 2HD ARG 78 -21.279 0.498 10.783 615 HD3 ARG 78 3HD ARG 78 -20.675 0.304 12.429 616 HE ARG 78 HE ARG 78 -20.421 2.541 12.712 617 HH11 ARG 78 1HH1 ARG 78 -21.487 2.066 9.310 618 HH12 ARG 78 2HH1 ARG 78 -21.864 3.750 9.145 619 HH21 ARG 78 1HH2 ARG 78 -20.732 4.759 12.293 620 HH22 ARG 78 2HH2 ARG 78 -21.386 5.240 10.753 621 H SER 79 H SER 79 -16.452 1.170 6.829 622 HA SER 79 HA SER 79 -17.836 -0.619 4.882 623 HB2 SER 79 2HB SER 79 -16.600 2.164 4.732 624 HB3 SER 79 3HB SER 79 -17.121 1.274 3.296 625 HG SER 79 HG SER 79 -18.720 2.717 4.312 626 H GLN 80 H GLN 80 -16.142 -0.627 2.753 627 HA GLN 80 HA GLN 80 -13.548 -1.663 3.765 628 HB2 GLN 80 2HB GLN 80 -15.493 -3.305 2.808 629 HB3 GLN 80 3HB GLN 80 -14.803 -2.829 1.281 630 HG2 GLN 80 2HG GLN 80 -12.811 -3.900 1.651 631 HG3 GLN 80 3HG GLN 80 -12.891 -3.709 3.404 632 HE21 GLN 80 1HE2 GLN 80 -12.490 -5.870 3.925 633 HE22 GLN 80 2HE2 GLN 80 -13.624 -7.167 3.571 634 H GLU 81 H GLU 81 -14.509 0.991 2.788 635 HA GLU 81 HA GLU 81 -12.863 1.397 0.381 636 HB2 GLU 81 2HB GLU 81 -15.218 1.583 -0.030 637 HB3 GLU 81 3HB GLU 81 -15.457 2.619 1.373 638 HG2 GLU 81 2HG GLU 81 -14.511 4.488 0.353 639 HG3 GLU 81 3HG GLU 81 -13.630 3.539 -0.838 640 H LEU 82 H LEU 82 -13.692 2.489 3.639 641 HA LEU 82 HA LEU 82 -12.047 4.912 3.421 642 HB2 LEU 82 2HB LEU 82 -13.565 3.696 5.754 643 HB3 LEU 82 3HB LEU 82 -12.916 5.313 5.694 644 HG LEU 82 HG LEU 82 -15.186 4.149 4.035 645 HD11 LEU 82 1HD1 LEU 82 -15.171 6.358 6.085 646 HD12 LEU 82 2HD1 LEU 82 -15.883 4.727 6.260 647 HD13 LEU 82 3HD1 LEU 82 -16.566 5.877 5.106 648 HD21 LEU 82 3HD2 LEU 82 -15.499 6.335 3.012 649 HD22 LEU 82 1HD2 LEU 82 -13.935 5.689 2.568 650 HD23 LEU 82 2HD2 LEU 82 -14.030 6.952 3.813 651 H ASN 83 H ASN 83 -11.764 1.563 4.535 652 HA ASN 83 HA ASN 83 -9.448 2.139 6.164 653 HB2 ASN 83 2HB ASN 83 -10.533 -0.497 5.127 654 HB3 ASN 83 3HB ASN 83 -9.216 -0.312 6.291 655 HD21 ASN 83 1HD2 ASN 83 -11.462 -1.758 7.158 656 HD22 ASN 83 2HD2 ASN 83 -12.508 -0.829 8.136 657 H ARG 84 H ARG 84 -9.939 1.612 2.726 658 HA ARG 84 HA ARG 84 -7.218 0.741 2.211 659 HB2 ARG 84 2HB ARG 84 -7.762 1.644 -0.189 660 HB3 ARG 84 3HB ARG 84 -8.434 0.158 0.439 661 HG2 ARG 84 2HG ARG 84 -10.571 1.289 0.937 662 HG3 ARG 84 3HG ARG 84 -9.936 2.752 0.148 663 HD2 ARG 84 2HD ARG 84 -9.527 1.243 -1.895 664 HD3 ARG 84 3HD ARG 84 -10.454 0.007 -1.018 665 HE ARG 84 HE ARG 84 -11.747 2.624 -1.373 666 HH11 ARG 84 1HH1 ARG 84 -11.375 -0.632 -2.843 667 HH12 ARG 84 2HH1 ARG 84 -12.953 -0.614 -3.528 668 HH21 ARG 84 1HH2 ARG 84 -13.906 2.573 -2.428 669 HH22 ARG 84 2HH2 ARG 84 -14.401 1.121 -3.182 670 H GLU 85 H GLU 85 -8.730 3.876 2.626 671 HA GLU 85 HA GLU 85 -6.168 5.229 1.985 672 HB2 GLU 85 2HB GLU 85 -7.314 7.290 2.451 673 HB3 GLU 85 3HB GLU 85 -8.097 6.333 1.195 674 HG2 GLU 85 2HG GLU 85 -9.839 5.612 2.745 675 HG3 GLU 85 3HG GLU 85 -9.006 6.455 4.075 676 H ALA 86 H ALA 86 -7.971 4.230 5.005 677 HA ALA 86 HA ALA 86 -6.177 5.667 6.672 678 HB1 ALA 86 1HB ALA 86 -8.343 4.735 7.402 679 HB2 ALA 86 2HB ALA 86 -7.701 3.088 7.238 680 HB3 ALA 86 3HB ALA 86 -7.020 4.194 8.448 681 H ALA 87 H ALA 87 -5.665 2.832 4.780 682 HA ALA 87 HA ALA 87 -3.511 1.687 6.371 683 HB1 ALA 87 1HB ALA 87 -4.988 0.299 4.940 684 HB2 ALA 87 2HB ALA 87 -4.395 1.141 3.512 685 HB3 ALA 87 3HB ALA 87 -3.293 0.145 4.491 686 H LEU 88 H LEU 88 -3.703 3.837 3.451 687 HA LEU 88 HA LEU 88 -0.975 3.751 2.821 688 HB2 LEU 88 2HB LEU 88 -1.335 5.536 1.391 689 HB3 LEU 88 3HB LEU 88 -2.893 4.738 1.499 690 HG LEU 88 HG LEU 88 -3.256 6.622 3.424 691 HD11 LEU 88 1HD1 LEU 88 -1.443 7.984 1.420 692 HD12 LEU 88 2HD1 LEU 88 -1.070 7.726 3.144 693 HD13 LEU 88 3HD1 LEU 88 -2.432 8.760 2.676 694 HD21 LEU 88 3HD2 LEU 88 -4.612 7.809 1.934 695 HD22 LEU 88 1HD2 LEU 88 -4.559 6.175 1.267 696 HD23 LEU 88 2HD2 LEU 88 -3.558 7.435 0.544 697 H ALA 89 H ALA 89 -2.668 5.726 5.247 698 HA ALA 89 HA ALA 89 -0.577 7.544 5.834 699 HB1 ALA 89 1HB ALA 89 -1.721 7.816 8.014 700 HB2 ALA 89 2HB ALA 89 -2.886 7.786 6.678 701 HB3 ALA 89 3HB ALA 89 -2.682 6.350 7.709 702 H ARG 90 H ARG 90 -1.184 4.258 6.989 703 HA ARG 90 HA ARG 90 0.951 4.214 8.931 704 HB2 ARG 90 2HB ARG 90 -0.628 1.993 7.579 705 HB3 ARG 90 3HB ARG 90 0.510 1.740 8.906 706 HG2 ARG 90 2HG ARG 90 -0.800 3.003 10.430 707 HG3 ARG 90 3HG ARG 90 -1.830 3.684 9.164 708 HD2 ARG 90 2HD ARG 90 -2.921 1.598 8.749 709 HD3 ARG 90 3HD ARG 90 -1.749 0.723 9.749 710 HE ARG 90 HE ARG 90 -2.872 1.223 11.597 711 HH11 ARG 90 1HH1 ARG 90 -4.243 3.486 9.121 712 HH12 ARG 90 2HH1 ARG 90 -5.373 4.133 10.255 713 HH21 ARG 90 1HH2 ARG 90 -4.293 2.329 13.025 714 HH22 ARG 90 2HH2 ARG 90 -5.661 3.171 12.345 715 H LEU 91 H LEU 91 0.689 3.234 5.470 716 HA LEU 91 HA LEU 91 3.219 2.011 5.294 717 HB2 LEU 91 2HB LEU 91 1.465 1.764 3.541 718 HB3 LEU 91 3HB LEU 91 1.605 3.473 3.151 719 HG LEU 91 HG LEU 91 3.930 3.160 2.432 720 HD11 LEU 91 1HD1 LEU 91 4.794 0.795 2.127 721 HD12 LEU 91 2HD1 LEU 91 3.458 0.232 3.150 722 HD13 LEU 91 3HD1 LEU 91 4.706 1.320 3.804 723 HD21 LEU 91 3HD2 LEU 91 3.528 2.047 0.370 724 HD22 LEU 91 1HD2 LEU 91 2.019 2.863 0.842 725 HD23 LEU 91 2HD2 LEU 91 2.196 1.107 1.053 726 H VAL 92 H VAL 92 2.235 5.271 4.388 727 HA VAL 92 HA VAL 92 4.744 6.329 3.680 728 HB VAL 92 HB VAL 92 2.413 7.671 5.147 729 HG11 VAL 92 1HG1 VAL 92 4.299 9.169 5.446 730 HG12 VAL 92 2HG1 VAL 92 4.710 9.064 3.717 731 HG13 VAL 92 3HG1 VAL 92 3.203 9.847 4.246 732 HG21 VAL 92 3HG2 VAL 92 3.128 7.879 2.210 733 HG22 VAL 92 1HG2 VAL 92 1.954 6.698 2.835 734 HG23 VAL 92 2HG2 VAL 92 1.642 8.427 3.004 735 H ALA 93 H ALA 93 3.380 5.915 6.890 736 HA ALA 93 HA ALA 93 5.331 7.477 8.299 737 HB1 ALA 93 1HB ALA 93 3.188 7.124 9.289 738 HB2 ALA 93 2HB ALA 93 3.332 5.374 9.181 739 HB3 ALA 93 3HB ALA 93 4.367 6.288 10.299 740 H MET 94 H MET 94 4.828 3.907 8.093 741 HA MET 94 HA MET 94 7.224 3.353 9.536 742 HB2 MET 94 2HB MET 94 6.954 1.058 8.818 743 HB3 MET 94 3HB MET 94 5.425 1.733 9.350 744 HG2 MET 94 2HG MET 94 4.903 2.116 6.831 745 HG3 MET 94 3HG MET 94 6.270 1.172 6.497 746 HE1 MET 94 3HE MET 94 6.475 -1.397 7.565 747 HE2 MET 94 1HE MET 94 5.777 -1.046 9.164 748 HE3 MET 94 2HE MET 94 5.068 -2.315 8.152 749 H ILE 95 H ILE 95 6.631 3.756 5.975 750 HA ILE 95 HA ILE 95 9.235 3.044 5.156 751 HB ILE 95 HB ILE 95 7.254 5.083 4.061 752 HG12 ILE 95 2HG1 ILE 95 8.201 2.384 2.958 753 HG13 ILE 95 3HG1 ILE 95 6.729 2.613 3.896 754 HG21 ILE 95 1HG2 ILE 95 9.575 5.809 3.386 755 HG22 ILE 95 2HG2 ILE 95 9.866 4.199 2.713 756 HG23 ILE 95 3HG2 ILE 95 8.639 5.267 2.012 757 HD11 ILE 95 3HD1 ILE 95 7.323 3.773 1.143 758 HD12 ILE 95 1HD1 ILE 95 6.124 2.566 1.566 759 HD13 ILE 95 2HD1 ILE 95 5.917 4.241 2.143 760 H LYS 96 H LYS 96 8.012 6.278 6.263 761 HA LYS 96 HA LYS 96 10.537 7.593 5.951 762 HB2 LYS 96 2HB LYS 96 8.107 8.197 7.684 763 HB3 LYS 96 3HB LYS 96 9.521 9.255 7.626 764 HG2 LYS 96 2HG LYS 96 9.225 9.693 5.257 765 HG3 LYS 96 3HG LYS 96 7.909 8.507 5.146 766 HD2 LYS 96 2HD LYS 96 6.572 9.809 6.747 767 HD3 LYS 96 3HD LYS 96 7.869 11.018 6.866 768 HE2 LYS 96 2HE LYS 96 7.608 11.482 4.419 769 HE3 LYS 96 3HE LYS 96 6.313 10.282 4.355 770 HZ1 LYS 96 3HZ LYS 96 6.274 12.845 5.831 771 HZ2 LYS 96 1HZ LYS 96 5.173 11.675 6.089 772 HZ3 LYS 96 2HZ LYS 96 5.309 12.393 4.589 773 H GLU 97 H GLU 97 9.427 5.480 8.519 774 HA GLU 97 HA GLU 97 11.450 6.427 10.419 775 HB2 GLU 97 2HB GLU 97 9.292 4.274 10.391 776 HB3 GLU 97 3HB GLU 97 10.508 4.330 11.675 777 HG2 GLU 97 2HG GLU 97 9.874 6.577 12.311 778 HG3 GLU 97 3HG GLU 97 8.877 6.761 10.875 779 H LEU 98 H LEU 98 10.850 3.503 8.438 780 HA LEU 98 HA LEU 98 13.275 2.177 9.172 781 HB2 LEU 98 2HB LEU 98 11.595 1.897 6.674 782 HB3 LEU 98 3HB LEU 98 12.755 0.696 7.242 783 HG LEU 98 HG LEU 98 10.463 1.564 9.034 784 HD11 LEU 98 1HD1 LEU 98 9.047 -0.179 8.063 785 HD12 LEU 98 2HD1 LEU 98 10.309 -0.492 6.819 786 HD13 LEU 98 3HD1 LEU 98 9.492 1.091 6.917 787 HD21 LEU 98 3HD2 LEU 98 10.714 -0.378 10.201 788 HD22 LEU 98 1HD2 LEU 98 12.384 -0.054 9.771 789 HD23 LEU 98 2HD2 LEU 98 11.433 -1.267 8.854 790 H THR 99 H THR 99 12.622 4.579 6.723 791 HA THR 99 HA THR 99 15.186 4.132 5.264 792 HB THR 99 HB THR 99 14.499 6.325 4.150 793 HG1 THR 99 1HG THR 99 12.010 5.862 5.341 794 HG21 THR 99 3HG2 THR 99 12.498 4.040 4.008 795 HG22 THR 99 1HG2 THR 99 14.037 4.148 3.131 796 HG23 THR 99 2HG2 THR 99 12.762 5.311 2.782 797 H THR 100 H THR 100 14.227 5.865 8.125 798 HA THR 100 HA THR 100 16.642 7.580 7.914 799 HB THR 100 HB THR 100 14.196 8.458 8.139 800 HG1 THR 100 1HG THR 100 16.493 9.500 9.400 801 HG21 THR 100 3HG2 THR 100 14.682 8.522 11.093 802 HG22 THR 100 1HG2 THR 100 13.943 7.083 10.390 803 HG23 THR 100 2HG2 THR 100 13.165 8.628 10.165 804 H GLU 101 H GLU 101 16.755 8.074 10.690 805 HA GLU 101 HA GLU 101 17.442 5.566 12.004 806 HB2 GLU 101 2HB GLU 101 19.700 6.411 12.496 807 HB3 GLU 101 3HB GLU 101 19.450 6.123 10.785 808 HG2 GLU 101 2HG GLU 101 19.541 8.833 12.169 809 HG3 GLU 101 3HG GLU 101 20.764 8.138 11.138 810 H LYS 102 H LYS 102 17.441 9.169 12.249 811 HA LYS 102 HA LYS 102 15.856 9.108 14.734 812 HB2 LYS 102 2HB LYS 102 18.125 8.624 15.535 813 HB3 LYS 102 3HB LYS 102 18.779 9.958 14.578 814 HG2 LYS 102 2HG LYS 102 17.660 11.585 16.066 815 HG3 LYS 102 3HG LYS 102 16.921 10.256 16.968 816 HD2 LYS 102 2HD LYS 102 18.850 11.052 18.199 817 HD3 LYS 102 3HD LYS 102 19.209 9.428 17.588 818 HE2 LYS 102 2HE LYS 102 20.477 10.436 15.692 819 HE3 LYS 102 3HE LYS 102 20.093 12.051 16.291 820 HZ1 LYS 102 3HZ LYS 102 21.391 11.467 18.319 821 HZ2 LYS 102 1HZ LYS 102 22.254 11.492 16.954 822 HZ3 LYS 102 2HZ LYS 102 21.843 10.046 17.602 823 H LYS 103 H LYS 103 14.696 11.153 14.901 824 HA LYS 103 HA LYS 103 15.753 13.580 13.792 825 HB2 LYS 103 2HB LYS 103 14.953 12.272 11.692 826 HB3 LYS 103 3HB LYS 103 13.343 12.348 12.377 827 HG2 LYS 103 2HG LYS 103 13.570 13.988 10.645 828 HG3 LYS 103 3HG LYS 103 13.376 14.823 12.168 829 HD2 LYS 103 2HD LYS 103 14.937 15.968 10.771 830 HD3 LYS 103 3HD LYS 103 15.772 15.402 12.199 831 HE2 LYS 103 2HE LYS 103 15.813 13.776 9.619 832 HE3 LYS 103 3HE LYS 103 16.830 15.202 9.797 833 HZ1 LYS 103 3HZ LYS 103 18.095 13.355 10.434 834 HZ2 LYS 103 1HZ LYS 103 17.001 12.792 11.510 835 HZ3 LYS 103 2HZ LYS 103 17.770 14.197 11.806 836 H ALA 104 H ALA 104 14.315 15.359 14.313 837 HA ALA 104 HA ALA 104 11.872 14.784 15.876 838 HB1 ALA 104 1HB ALA 104 14.136 16.542 16.910 839 HB2 ALA 104 2HB ALA 104 12.569 16.267 17.685 840 HB3 ALA 104 3HB ALA 104 13.716 14.925 17.520 841 H ARG 105 H ARG 105 13.418 16.592 13.454 842 HA ARG 105 HA ARG 105 12.186 19.124 13.776 843 HB2 ARG 105 2HB ARG 105 14.225 18.428 12.356 844 HB3 ARG 105 3HB ARG 105 13.081 17.916 11.117 845 HG2 ARG 105 2HG ARG 105 12.633 20.674 12.202 846 HG3 ARG 105 3HG ARG 105 14.201 20.437 11.444 847 HD2 ARG 105 2HD ARG 105 13.085 19.625 9.377 848 HD3 ARG 105 3HD ARG 105 11.521 19.934 10.118 849 HE ARG 105 HE ARG 105 12.154 22.301 10.338 850 HH11 ARG 105 1HH1 ARG 105 13.806 20.465 7.702 851 HH12 ARG 105 2HH1 ARG 105 14.147 21.957 6.848 852 HH21 ARG 105 1HH2 ARG 105 12.768 24.116 9.212 853 HH22 ARG 105 2HH2 ARG 105 13.573 23.990 7.666 854 H ARG 106 H ARG 106 11.026 16.117 12.384 855 HA ARG 106 HA ARG 106 8.532 17.416 11.349 856 HB2 ARG 106 2HB ARG 106 9.770 14.620 10.977 857 HB3 ARG 106 3HB ARG 106 8.170 15.067 10.393 858 HG2 ARG 106 2HG ARG 106 9.220 16.839 8.999 859 HG3 ARG 106 3HG ARG 106 10.815 16.207 9.439 860 HD2 ARG 106 2HD ARG 106 8.624 14.605 8.036 861 HD3 ARG 106 3HD ARG 106 9.914 15.472 7.196 862 HE ARG 106 HE ARG 106 10.711 13.474 9.217 863 HH11 ARG 106 1HH1 ARG 106 10.055 13.905 5.712 864 HH12 ARG 106 2HH1 ARG 106 11.130 12.607 5.267 865 HH21 ARG 106 1HH2 ARG 106 12.121 11.762 8.521 866 HH22 ARG 106 2HH2 ARG 106 12.183 11.324 6.861 867 HA PRO 107 HA PRO 107 6.653 15.697 15.019 868 HB2 PRO 107 2HB PRO 107 4.249 14.622 14.222 869 HB3 PRO 107 3HB PRO 107 4.541 16.384 14.361 870 HG2 PRO 107 2HG PRO 107 4.684 14.649 11.889 871 HG3 PRO 107 3HG PRO 107 3.873 16.232 12.070 872 HD2 PRO 107 2HD PRO 107 6.325 16.031 10.945 873 HD3 PRO 107 3HD PRO 107 5.946 17.388 12.046 874 H THR 108 H THR 108 7.101 13.782 16.039 875 HA THR 108 HA THR 108 7.045 11.170 14.730 876 HB THR 108 HB THR 108 9.586 12.446 15.873 877 HG1 THR 108 1HG THR 108 9.913 11.337 13.473 878 HG21 THR 108 3HG2 THR 108 9.465 10.068 16.509 879 HG22 THR 108 1HG2 THR 108 10.710 10.320 15.286 880 HG23 THR 108 2HG2 THR 108 9.141 9.610 14.824 881 H ARG 109 H ARG 109 6.185 9.822 16.366 882 HA ARG 109 HA ARG 109 6.785 10.356 19.173 883 HB2 ARG 109 2HB ARG 109 4.926 11.933 18.783 884 HB3 ARG 109 3HB ARG 109 3.922 10.637 18.155 885 HG2 ARG 109 2HG ARG 109 4.012 9.493 20.367 886 HG3 ARG 109 3HG ARG 109 5.033 10.811 20.972 887 HD2 ARG 109 2HD ARG 109 3.121 12.398 20.322 888 HD3 ARG 109 3HD ARG 109 2.126 10.941 20.089 889 HE ARG 109 HE ARG 109 3.404 10.799 22.624 890 HH11 ARG 109 1HH1 ARG 109 0.690 12.506 21.093 891 HH12 ARG 109 2HH1 ARG 109 0.183 13.278 22.575 892 HH21 ARG 109 1HH2 ARG 109 2.593 11.551 24.543 893 HH22 ARG 109 2HH2 ARG 109 1.064 12.359 24.644 894 H SER 110 H SER 110 7.435 8.265 19.602 895 HA SER 110 HA SER 110 6.317 5.980 18.168 896 HB2 SER 110 2HB SER 110 8.143 6.118 20.613 897 HB3 SER 110 3HB SER 110 7.875 4.706 19.568 898 HG SER 110 HG SER 110 9.793 5.922 19.078 899 H GLY 111 H GLY 111 5.615 4.032 19.863 900 HA2 GLY 111 2HA GLY 111 4.276 4.807 22.247 901 HA3 GLY 111 3HA GLY 111 3.129 4.712 20.886 902 HA PRO 112 HA PRO 112 3.991 0.425 22.582 903 HB2 PRO 112 2HB PRO 112 1.448 -0.341 23.181 904 HB3 PRO 112 3HB PRO 112 2.442 0.644 24.302 905 HG2 PRO 112 2HG PRO 112 0.336 1.614 22.336 906 HG3 PRO 112 3HG PRO 112 0.504 2.034 24.074 907 HD2 PRO 112 2HD PRO 112 1.491 3.614 22.069 908 HD3 PRO 112 3HD PRO 112 2.342 3.453 23.639 909 H SER 113 H SER 113 2.835 -1.694 21.632 910 HA SER 113 HA SER 113 1.695 -1.186 18.957 911 HB2 SER 113 2HB SER 113 4.400 -1.379 19.231 912 HB3 SER 113 3HB SER 113 4.003 -3.094 19.189 913 HG SER 113 HG SER 113 3.435 -1.062 17.276 914 H SER 114 H SER 114 0.236 -2.782 18.413 915 HA SER 114 HA SER 114 0.069 -5.277 20.053 916 HB2 SER 114 2HB SER 114 -2.237 -3.600 18.967 917 HB3 SER 114 3HB SER 114 -2.355 -5.090 19.906 918 HG SER 114 HG SER 114 -2.721 -3.387 21.195 919 H GLY 115 H GLY 115 0.835 -6.823 18.492 920 HA2 GLY 115 2HA GLY 115 -0.790 -7.401 16.273 921 HA3 GLY 115 3HA GLY 115 0.565 -6.410 15.703 922 H GLU 116 H GLU 116 0.040 -9.078 14.966 923 HA GLU 116 HA GLU 116 2.582 -10.374 15.631 924 HB2 GLU 116 2HB GLU 116 1.662 -12.440 16.157 925 HB3 GLU 116 3HB GLU 116 0.710 -11.304 17.108 926 HG2 GLU 116 2HG GLU 116 -0.993 -11.350 15.187 927 HG3 GLU 116 3HG GLU 116 -0.090 -12.696 14.513 928 H ASN 117 H ASN 117 2.666 -12.371 13.880 929 HA ASN 117 HA ASN 117 1.465 -11.482 11.306 930 HB2 ASN 117 2HB ASN 117 3.602 -11.883 10.173 931 HB3 ASN 117 3HB ASN 117 3.746 -10.565 11.319 932 HD21 ASN 117 1HD2 ASN 117 4.955 -10.952 13.338 933 HD22 ASN 117 2HD2 ASN 117 6.014 -12.333 13.482 934 H LEU 118 H LEU 118 1.516 -13.264 9.714 935 HA LEU 118 HA LEU 118 1.408 -15.934 11.032 936 HB2 LEU 118 2HB LEU 118 -0.838 -15.163 10.613 937 HB3 LEU 118 3HB LEU 118 -0.434 -14.777 8.927 938 HG LEU 118 HG LEU 118 -0.089 -17.160 8.419 939 HD11 LEU 118 1HD1 LEU 118 -0.754 -18.877 10.127 940 HD12 LEU 118 2HD1 LEU 118 -0.764 -17.597 11.360 941 HD13 LEU 118 3HD1 LEU 118 0.745 -18.052 10.527 942 HD21 LEU 118 3HD2 LEU 118 -2.708 -16.667 9.898 943 HD22 LEU 118 1HD2 LEU 118 -2.412 -17.897 8.653 944 HD23 LEU 118 2HD2 LEU 118 -2.355 -16.186 8.220 945 H TYR 119 H TYR 119 3.265 -16.747 10.424 946 HA TYR 119 HA TYR 119 4.463 -16.343 7.771 947 HB2 TYR 119 2HB TYR 119 5.711 -16.528 9.940 948 HB3 TYR 119 3HB TYR 119 5.126 -18.174 10.117 949 HD1 TYR 119 1HD TYR 119 6.941 -15.964 7.662 950 HD2 TYR 119 2HD TYR 119 6.490 -19.920 9.336 951 HE1 TYR 119 1HE TYR 119 8.923 -16.710 6.411 952 HE2 TYR 119 2HE TYR 119 8.459 -20.679 8.070 953 HH TYR 119 HH TYR 119 10.259 -20.024 6.855 954 H PHE 120 H PHE 120 4.242 -17.947 6.048 955 HA PHE 120 HA PHE 120 2.347 -20.124 6.541 956 HB2 PHE 120 2HB PHE 120 3.207 -18.620 4.046 957 HB3 PHE 120 3HB PHE 120 2.229 -20.076 4.031 958 HD1 PHE 120 2HD PHE 120 2.283 -16.512 5.186 959 HD2 PHE 120 1HD PHE 120 -0.130 -20.034 4.562 960 HE1 PHE 120 2HE PHE 120 0.243 -15.174 5.541 961 HE2 PHE 120 1HE PHE 120 -2.171 -18.680 4.923 962 HZ PHE 120 HZ PHE 120 -1.993 -16.246 5.407 963 H GLN 121 H GLN 121 2.862 -21.982 5.972 964 HA GLN 121 HA GLN 121 5.507 -22.939 5.070 965 HB2 GLN 121 2HB GLN 121 4.232 -23.759 7.731 966 HB3 GLN 121 3HB GLN 121 5.600 -24.583 6.983 967 HG2 GLN 121 2HG GLN 121 6.935 -22.486 7.100 968 HG3 GLN 121 3HG GLN 121 5.598 -21.696 7.943 969 HE21 GLN 121 1HE2 GLN 121 4.967 -22.552 10.099 970 HE22 GLN 121 2HE2 GLN 121 6.173 -23.361 11.077 Start of MODEL 2 1 H1 MET 1 H MET 1 -0.703 9.087 -4.034 2 HA MET 1 HA MET 1 1.050 9.552 -5.691 3 HB2 MET 1 2HB MET 1 1.057 12.328 -4.482 4 HB3 MET 1 3HB MET 1 2.263 11.684 -5.569 5 HG2 MET 1 2HG MET 1 -0.659 12.013 -6.249 6 HG3 MET 1 3HG MET 1 0.658 13.001 -6.825 7 HE1 MET 1 3HE MET 1 2.881 11.606 -8.158 8 HE2 MET 1 1HE MET 1 2.750 10.088 -7.235 9 HE3 MET 1 2HE MET 1 2.583 10.070 -8.998 10 H ILE 2 H ILE 2 0.592 9.586 -2.225 11 HA ILE 2 HA ILE 2 2.026 9.255 -0.524 12 HB ILE 2 HB ILE 2 2.939 7.147 -2.510 13 HG12 ILE 2 2HG1 ILE 2 0.494 7.064 -0.683 14 HG13 ILE 2 3HG1 ILE 2 0.409 7.324 -2.417 15 HG21 ILE 2 1HG2 ILE 2 3.526 5.747 -0.711 16 HG22 ILE 2 2HG2 ILE 2 4.015 7.321 -0.093 17 HG23 ILE 2 3HG2 ILE 2 2.492 6.606 0.422 18 HD11 ILE 2 3HD1 ILE 2 1.603 4.784 -1.280 19 HD12 ILE 2 1HD1 ILE 2 -0.120 4.995 -1.618 20 HD13 ILE 2 2HD1 ILE 2 1.058 5.120 -2.937 21 H VAL 3 H VAL 3 3.040 11.468 -1.725 22 HA VAL 3 HA VAL 3 5.773 11.087 -2.591 23 HB VAL 3 HB VAL 3 4.482 13.617 -1.670 24 HG11 VAL 3 1HG1 VAL 3 6.875 13.901 -1.651 25 HG12 VAL 3 2HG1 VAL 3 7.019 13.182 -3.264 26 HG13 VAL 3 3HG1 VAL 3 6.227 14.747 -3.059 27 HG21 VAL 3 3HG2 VAL 3 4.779 13.200 -4.584 28 HG22 VAL 3 1HG2 VAL 3 3.377 12.524 -3.722 29 HG23 VAL 3 2HG2 VAL 3 3.720 14.254 -3.688 30 H ILE 4 H ILE 4 7.080 10.169 -1.311 31 HA ILE 4 HA ILE 4 7.090 10.584 1.590 32 HB ILE 4 HB ILE 4 9.083 8.996 -0.061 33 HG12 ILE 4 2HG1 ILE 4 6.915 8.039 -0.570 34 HG13 ILE 4 3HG1 ILE 4 7.875 6.986 0.419 35 HG21 ILE 4 1HG2 ILE 4 8.390 9.108 2.891 36 HG22 ILE 4 2HG2 ILE 4 9.255 7.753 2.175 37 HG23 ILE 4 3HG2 ILE 4 9.951 9.374 2.105 38 HD11 ILE 4 3HD1 ILE 4 6.572 7.774 2.458 39 HD12 ILE 4 1HD1 ILE 4 5.523 8.670 1.310 40 HD13 ILE 4 2HD1 ILE 4 5.641 6.891 1.261 41 H SER 5 H SER 5 9.166 11.199 -1.253 42 HA SER 5 HA SER 5 10.712 13.269 0.151 43 HB2 SER 5 2HB SER 5 11.674 10.613 -0.246 44 HB3 SER 5 3HB SER 5 12.404 11.560 -1.542 45 HG SER 5 HG SER 5 12.485 12.063 1.265 46 H ARG 6 H ARG 6 12.100 14.436 -1.548 47 HA ARG 6 HA ARG 6 10.579 15.595 -3.500 48 HB2 ARG 6 2HB ARG 6 12.773 16.364 -2.541 49 HB3 ARG 6 3HB ARG 6 13.605 15.212 -3.597 50 HG2 ARG 6 2HG ARG 6 12.668 16.419 -5.584 51 HG3 ARG 6 3HG ARG 6 11.870 17.549 -4.478 52 HD2 ARG 6 2HD ARG 6 14.079 18.226 -3.569 53 HD3 ARG 6 3HD ARG 6 14.880 17.090 -4.646 54 HE ARG 6 HE ARG 6 14.522 18.467 -6.460 55 HH11 ARG 6 1HH1 ARG 6 12.895 19.931 -3.622 56 HH12 ARG 6 2HH1 ARG 6 12.193 21.205 -4.582 57 HH21 ARG 6 1HH2 ARG 6 13.873 20.285 -7.550 58 HH22 ARG 6 2HH2 ARG 6 12.943 21.551 -6.835 59 H HIS 7 H HIS 7 12.530 12.670 -3.955 60 HA HIS 7 HA HIS 7 11.489 12.457 -6.746 61 HB2 HIS 7 2HB HIS 7 14.069 11.343 -5.599 62 HB3 HIS 7 3HB HIS 7 13.556 11.316 -7.289 63 HD1 HIS 7 1HD HIS 7 13.145 13.966 -8.348 64 HD2 HIS 7 2HD HIS 7 15.532 13.425 -4.899 65 HE1 HIS 7 1HE HIS 7 14.395 16.146 -7.969 66 H VAL 8 H VAL 8 10.279 11.424 -4.066 67 HA VAL 8 HA VAL 8 9.947 8.603 -4.958 68 HB VAL 8 HB VAL 8 10.361 9.590 -2.107 69 HG11 VAL 8 1HG1 VAL 8 10.344 7.144 -1.559 70 HG12 VAL 8 2HG1 VAL 8 8.789 7.753 -2.134 71 HG13 VAL 8 3HG1 VAL 8 9.829 6.842 -3.245 72 HG21 VAL 8 3HG2 VAL 8 12.410 8.107 -2.161 73 HG22 VAL 8 1HG2 VAL 8 12.179 7.987 -3.923 74 HG23 VAL 8 2HG2 VAL 8 12.534 9.548 -3.172 75 H ALA 9 H ALA 9 7.871 8.681 -5.655 76 HA ALA 9 HA ALA 9 5.715 9.365 -3.795 77 HB1 ALA 9 1HB ALA 9 6.152 10.992 -6.329 78 HB2 ALA 9 2HB ALA 9 4.693 11.035 -5.321 79 HB3 ALA 9 3HB ALA 9 6.212 11.581 -4.639 80 H ILE 10 H ILE 10 4.735 7.446 -3.960 81 HA ILE 10 HA ILE 10 4.532 5.962 -6.443 82 HB ILE 10 HB ILE 10 3.052 5.354 -3.861 83 HG12 ILE 10 2HG1 ILE 10 5.907 4.599 -4.581 84 HG13 ILE 10 3HG1 ILE 10 5.416 5.648 -3.256 85 HG21 ILE 10 1HG2 ILE 10 4.121 3.537 -6.057 86 HG22 ILE 10 2HG2 ILE 10 3.057 3.067 -4.722 87 HG23 ILE 10 3HG2 ILE 10 2.435 4.104 -5.978 88 HD11 ILE 10 3HD1 ILE 10 4.780 2.682 -3.428 89 HD12 ILE 10 1HD1 ILE 10 5.997 3.454 -2.444 90 HD13 ILE 10 2HD1 ILE 10 4.276 3.800 -2.122 91 HA PRO 11 HA PRO 11 0.737 8.126 -7.540 92 HB2 PRO 11 2HB PRO 11 -0.035 6.755 -9.771 93 HB3 PRO 11 3HB PRO 11 1.391 7.837 -9.706 94 HG2 PRO 11 2HG PRO 11 1.317 4.828 -9.356 95 HG3 PRO 11 3HG PRO 11 2.372 5.780 -10.457 96 HD2 PRO 11 2HD PRO 11 3.264 4.987 -8.032 97 HD3 PRO 11 3HD PRO 11 3.668 6.594 -8.669 98 H ASP 12 H ASP 12 0.620 5.466 -5.732 99 HA ASP 12 HA ASP 12 -0.985 4.371 -4.605 100 HB2 ASP 12 2HB ASP 12 -2.027 6.722 -4.644 101 HB3 ASP 12 3HB ASP 12 -3.179 6.059 -5.804 102 H GLY 13 H GLY 13 -0.445 3.889 -7.700 103 HA2 GLY 13 2HA GLY 13 -2.603 1.845 -8.071 104 HA3 GLY 13 3HA GLY 13 -1.820 2.727 -9.383 105 H GLU 14 H GLU 14 0.707 2.246 -7.351 106 HA GLU 14 HA GLU 14 1.649 -0.135 -8.814 107 HB2 GLU 14 2HB GLU 14 3.024 1.645 -6.784 108 HB3 GLU 14 3HB GLU 14 3.797 0.489 -7.847 109 HG2 GLU 14 2HG GLU 14 2.356 2.879 -8.996 110 HG3 GLU 14 3HG GLU 14 4.005 2.970 -8.400 111 H LEU 15 H LEU 15 0.058 0.333 -5.809 112 HA LEU 15 HA LEU 15 1.627 -1.716 -4.348 113 HB2 LEU 15 2HB LEU 15 -0.889 -0.388 -3.319 114 HB3 LEU 15 3HB LEU 15 0.412 -1.129 -2.407 115 HG LEU 15 HG LEU 15 0.453 1.576 -3.846 116 HD11 LEU 15 1HD1 LEU 15 -0.675 1.524 -1.628 117 HD12 LEU 15 2HD1 LEU 15 0.843 2.446 -1.571 118 HD13 LEU 15 3HD1 LEU 15 0.794 0.795 -0.923 119 HD21 LEU 15 3HD2 LEU 15 2.721 0.562 -4.022 120 HD22 LEU 15 1HD2 LEU 15 2.671 0.266 -2.258 121 HD23 LEU 15 2HD2 LEU 15 2.687 1.909 -2.867 122 H GLU 16 H GLU 16 0.178 -3.407 -3.138 123 HA GLU 16 HA GLU 16 -1.900 -4.425 -4.998 124 HB2 GLU 16 2HB GLU 16 0.157 -5.770 -5.080 125 HB3 GLU 16 3HB GLU 16 0.053 -6.052 -3.322 126 HG2 GLU 16 2HG GLU 16 -2.102 -7.158 -3.573 127 HG3 GLU 16 3HG GLU 16 -2.216 -6.671 -5.267 128 H ILE 17 H ILE 17 -3.680 -3.641 -4.005 129 HA ILE 17 HA ILE 17 -3.950 -3.939 -1.063 130 HB ILE 17 HB ILE 17 -5.580 -2.396 -3.112 131 HG12 ILE 17 2HG1 ILE 17 -3.913 -1.285 -0.801 132 HG13 ILE 17 3HG1 ILE 17 -3.143 -1.628 -2.340 133 HG21 ILE 17 1HG2 ILE 17 -7.056 -3.078 -1.251 134 HG22 ILE 17 2HG2 ILE 17 -5.817 -2.579 -0.078 135 HG23 ILE 17 3HG2 ILE 17 -6.648 -1.365 -1.040 136 HD11 ILE 17 3HD1 ILE 17 -5.482 0.269 -2.023 137 HD12 ILE 17 1HD1 ILE 17 -3.767 0.672 -2.191 138 HD13 ILE 17 2HD1 ILE 17 -4.613 -0.123 -3.529 139 H THR 18 H THR 18 -5.687 -5.144 -0.157 140 HA THR 18 HA THR 18 -7.304 -6.818 -1.926 141 HB THR 18 HB THR 18 -6.350 -8.604 0.076 142 HG1 THR 18 1HG THR 18 -4.229 -7.167 -1.113 143 HG21 THR 18 3HG2 THR 18 -7.082 -9.086 -2.226 144 HG22 THR 18 1HG2 THR 18 -5.505 -9.830 -1.887 145 HG23 THR 18 2HG2 THR 18 -5.600 -8.355 -2.873 146 H ALA 19 H ALA 19 -9.075 -7.940 -0.742 147 HA ALA 19 HA ALA 19 -9.919 -6.277 1.539 148 HB1 ALA 19 1HB ALA 19 -11.461 -8.280 -0.169 149 HB2 ALA 19 2HB ALA 19 -12.154 -7.212 1.044 150 HB3 ALA 19 3HB ALA 19 -11.449 -6.513 -0.428 151 H ILE 20 H ILE 20 -10.560 -7.090 3.505 152 HA ILE 20 HA ILE 20 -10.286 -9.980 4.033 153 HB ILE 20 HB ILE 20 -9.034 -9.279 6.137 154 HG12 ILE 20 2HG1 ILE 20 -8.234 -6.854 4.479 155 HG13 ILE 20 3HG1 ILE 20 -9.326 -6.826 5.856 156 HG21 ILE 20 1HG2 ILE 20 -6.893 -9.613 5.079 157 HG22 ILE 20 2HG2 ILE 20 -8.108 -10.577 4.241 158 HG23 ILE 20 3HG2 ILE 20 -7.541 -9.055 3.515 159 HD11 ILE 20 3HD1 ILE 20 -6.375 -7.505 5.876 160 HD12 ILE 20 1HD1 ILE 20 -7.203 -6.154 6.670 161 HD13 ILE 20 2HD1 ILE 20 -7.451 -7.813 7.257 162 H ARG 21 H ARG 21 -11.413 -10.714 5.869 163 HA ARG 21 HA ARG 21 -13.083 -8.785 7.295 164 HB2 ARG 21 2HB ARG 21 -15.137 -9.809 6.854 165 HB3 ARG 21 3HB ARG 21 -14.370 -9.639 5.269 166 HG2 ARG 21 2HG ARG 21 -13.739 -12.079 5.390 167 HG3 ARG 21 3HG ARG 21 -14.583 -12.195 6.946 168 HD2 ARG 21 2HD ARG 21 -16.116 -12.987 5.278 169 HD3 ARG 21 3HD ARG 21 -16.692 -11.420 5.840 170 HE ARG 21 HE ARG 21 -16.319 -10.500 3.781 171 HH11 ARG 21 1HH1 ARG 21 -14.865 -13.778 3.794 172 HH12 ARG 21 2HH1 ARG 21 -14.577 -13.772 2.078 173 HH21 ARG 21 1HH2 ARG 21 -15.564 -10.390 1.631 174 HH22 ARG 21 2HH2 ARG 21 -15.059 -11.829 0.826 175 H ALA 22 H ALA 22 -14.148 -9.914 9.281 176 HA ALA 22 HA ALA 22 -12.347 -12.098 10.231 177 HB1 ALA 22 1HB ALA 22 -12.110 -10.179 11.632 178 HB2 ALA 22 2HB ALA 22 -13.854 -9.835 11.610 179 HB3 ALA 22 3HB ALA 22 -13.260 -11.246 12.467 180 H GLN 23 H GLN 23 -13.455 -13.970 9.661 181 HA GLN 23 HA GLN 23 -15.860 -14.650 10.974 182 HB2 GLN 23 2HB GLN 23 -16.224 -13.498 8.247 183 HB3 GLN 23 3HB GLN 23 -16.826 -15.147 8.397 184 HG2 GLN 23 2HG GLN 23 -18.078 -14.435 10.490 185 HG3 GLN 23 3HG GLN 23 -17.686 -12.771 10.082 186 HE21 GLN 23 1HE2 GLN 23 -19.844 -15.367 9.479 187 HE22 GLN 23 2HE2 GLN 23 -20.657 -14.681 8.064 188 H GLY 24 H GLY 24 -15.383 -16.690 11.407 189 HA2 GLY 24 2HA GLY 24 -14.922 -18.901 11.079 190 HA3 GLY 24 3HA GLY 24 -14.558 -18.604 9.380 191 H ALA 25 H ALA 25 -12.986 -20.249 11.011 192 HA ALA 25 HA ALA 25 -10.801 -19.165 12.305 193 HB1 ALA 25 1HB ALA 25 -11.373 -21.525 12.337 194 HB2 ALA 25 2HB ALA 25 -10.972 -21.687 10.608 195 HB3 ALA 25 3HB ALA 25 -9.696 -21.327 11.790 196 H GLY 26 H GLY 26 -9.382 -17.720 11.644 197 HA2 GLY 26 2HA GLY 26 -7.936 -18.000 9.073 198 HA3 GLY 26 3HA GLY 26 -8.711 -16.439 9.464 199 H GLY 27 H GLY 27 -6.254 -18.780 10.309 200 HA2 GLY 27 2HA GLY 27 -4.557 -18.859 11.815 201 HA3 GLY 27 3HA GLY 27 -4.226 -17.231 11.188 202 H GLN 28 H GLN 28 -4.097 -15.728 12.740 203 HA GLN 28 HA GLN 28 -5.762 -15.958 15.211 204 HB2 GLN 28 2HB GLN 28 -3.163 -16.342 15.331 205 HB3 GLN 28 3HB GLN 28 -3.070 -14.590 15.149 206 HG2 GLN 28 2HG GLN 28 -4.444 -14.309 17.187 207 HG3 GLN 28 3HG GLN 28 -4.662 -16.056 17.301 208 HE21 GLN 28 1HE2 GLN 28 -3.481 -16.708 19.092 209 HE22 GLN 28 2HE2 GLN 28 -1.874 -16.156 19.496 210 H HIS 29 H HIS 29 -5.292 -14.219 12.361 211 HA HIS 29 HA HIS 29 -5.687 -11.558 13.415 212 HB2 HIS 29 2HB HIS 29 -5.965 -11.010 10.965 213 HB3 HIS 29 3HB HIS 29 -4.415 -11.675 11.468 214 HD1 HIS 29 1HD HIS 29 -3.884 -14.301 10.640 215 HD2 HIS 29 2HD HIS 29 -7.327 -12.359 9.164 216 HE1 HIS 29 1HE HIS 29 -4.711 -15.679 8.693 217 H VAL 30 H VAL 30 -7.739 -14.177 12.814 218 HA VAL 30 HA VAL 30 -10.140 -13.098 12.012 219 HB VAL 30 HB VAL 30 -9.805 -15.419 12.083 220 HG11 VAL 30 1HG1 VAL 30 -8.240 -15.701 13.963 221 HG12 VAL 30 2HG1 VAL 30 -9.542 -15.307 15.113 222 HG13 VAL 30 3HG1 VAL 30 -9.623 -16.776 14.138 223 HG21 VAL 30 3HG2 VAL 30 -11.882 -14.840 14.209 224 HG22 VAL 30 1HG2 VAL 30 -12.146 -14.678 12.454 225 HG23 VAL 30 2HG2 VAL 30 -11.804 -16.268 13.170 226 H ASN 31 H ASN 31 -8.745 -12.712 15.259 227 HA ASN 31 HA ASN 31 -11.152 -11.856 16.575 228 HB2 ASN 31 2HB ASN 31 -9.317 -12.534 17.937 229 HB3 ASN 31 3HB ASN 31 -8.189 -11.497 17.089 230 HD21 ASN 31 1HD2 ASN 31 -11.289 -11.078 18.899 231 HD22 ASN 31 2HD2 ASN 31 -10.724 -9.648 19.778 232 H LYS 32 H LYS 32 -9.238 -10.159 14.179 233 HA LYS 32 HA LYS 32 -9.873 -7.522 15.260 234 HB2 LYS 32 2HB LYS 32 -8.891 -8.129 12.474 235 HB3 LYS 32 3HB LYS 32 -8.844 -6.613 13.405 236 HG2 LYS 32 2HG LYS 32 -7.207 -9.054 14.094 237 HG3 LYS 32 3HG LYS 32 -6.652 -7.646 13.195 238 HD2 LYS 32 2HD LYS 32 -7.285 -6.199 15.174 239 HD3 LYS 32 3HD LYS 32 -7.628 -7.692 16.078 240 HE2 LYS 32 2HE LYS 32 -5.316 -8.459 15.713 241 HE3 LYS 32 3HE LYS 32 -4.964 -7.025 14.738 242 HZ1 LYS 32 3HZ LYS 32 -5.166 -5.673 16.671 243 HZ2 LYS 32 1HZ LYS 32 -4.215 -6.943 17.065 244 HZ3 LYS 32 2HZ LYS 32 -5.774 -6.921 17.577 245 H THR 33 H THR 33 -10.888 -5.962 13.155 246 HA THR 33 HA THR 33 -13.667 -6.837 13.257 247 HB THR 33 HB THR 33 -13.970 -4.514 12.202 248 HG1 THR 33 1HG THR 33 -12.242 -3.536 11.654 249 HG21 THR 33 3HG2 THR 33 -12.584 -4.704 14.915 250 HG22 THR 33 1HG2 THR 33 -14.292 -5.051 14.612 251 HG23 THR 33 2HG2 THR 33 -13.678 -3.418 14.365 252 H SER 34 H SER 34 -14.969 -6.175 11.157 253 HA SER 34 HA SER 34 -13.884 -7.811 8.947 254 HB2 SER 34 2HB SER 34 -16.781 -7.129 9.585 255 HB3 SER 34 3HB SER 34 -16.178 -8.309 8.408 256 HG SER 34 HG SER 34 -16.141 -8.380 11.222 257 H THR 35 H THR 35 -15.016 -7.180 6.744 258 HA THR 35 HA THR 35 -14.988 -5.785 5.053 259 HB THR 35 HB THR 35 -16.356 -3.805 6.917 260 HG1 THR 35 1HG THR 35 -18.224 -5.037 6.555 261 HG21 THR 35 3HG2 THR 35 -16.576 -4.528 3.962 262 HG22 THR 35 1HG2 THR 35 -16.072 -2.977 4.683 263 HG23 THR 35 2HG2 THR 35 -17.743 -3.516 4.829 264 H ALA 36 H ALA 36 -12.574 -5.971 6.349 265 HA ALA 36 HA ALA 36 -11.417 -3.286 6.626 266 HB1 ALA 36 1HB ALA 36 -11.125 -4.805 8.452 267 HB2 ALA 36 2HB ALA 36 -10.656 -6.131 7.396 268 HB3 ALA 36 3HB ALA 36 -9.578 -4.736 7.562 269 H ILE 37 H ILE 37 -8.996 -3.289 5.900 270 HA ILE 37 HA ILE 37 -8.755 -4.503 3.205 271 HB ILE 37 HB ILE 37 -8.293 -1.636 4.071 272 HG12 ILE 37 2HG1 ILE 37 -10.585 -2.201 3.261 273 HG13 ILE 37 3HG1 ILE 37 -9.759 -1.055 2.229 274 HG21 ILE 37 1HG2 ILE 37 -7.181 -3.057 1.638 275 HG22 ILE 37 2HG2 ILE 37 -7.388 -1.316 1.687 276 HG23 ILE 37 3HG2 ILE 37 -6.309 -2.081 2.843 277 HD11 ILE 37 3HD1 ILE 37 -10.185 -4.009 1.645 278 HD12 ILE 37 1HD1 ILE 37 -10.928 -2.618 0.849 279 HD13 ILE 37 2HD1 ILE 37 -9.210 -2.922 0.631 280 H HIS 38 H HIS 38 -6.870 -5.037 2.554 281 HA HIS 38 HA HIS 38 -4.616 -5.312 4.453 282 HB2 HIS 38 2HB HIS 38 -5.948 -7.387 3.695 283 HB3 HIS 38 3HB HIS 38 -5.458 -7.025 2.053 284 HD1 HIS 38 1HD HIS 38 -2.976 -7.711 1.395 285 HD2 HIS 38 2HD HIS 38 -4.098 -8.261 5.416 286 HE1 HIS 38 1HE HIS 38 -1.084 -9.035 2.504 287 H LEU 39 H LEU 39 -2.745 -4.266 3.669 288 HA LEU 39 HA LEU 39 -2.689 -3.416 0.798 289 HB2 LEU 39 2HB LEU 39 -3.094 -1.453 2.105 290 HB3 LEU 39 3HB LEU 39 -1.854 -1.867 3.283 291 HG LEU 39 HG LEU 39 -1.032 -1.549 0.390 292 HD11 LEU 39 1HD1 LEU 39 -2.424 0.392 0.706 293 HD12 LEU 39 2HD1 LEU 39 -0.748 0.916 0.767 294 HD13 LEU 39 3HD1 LEU 39 -1.667 0.765 2.273 295 HD21 LEU 39 3HD2 LEU 39 0.441 -0.346 2.750 296 HD22 LEU 39 1HD2 LEU 39 1.070 -0.949 1.205 297 HD23 LEU 39 2HD2 LEU 39 0.603 -2.094 2.440 298 H ARG 40 H ARG 40 -0.884 -4.152 -0.258 299 HA ARG 40 HA ARG 40 1.371 -5.127 1.371 300 HB2 ARG 40 2HB ARG 40 -0.176 -6.986 0.628 301 HB3 ARG 40 3HB ARG 40 0.116 -6.509 -1.043 302 HG2 ARG 40 2HG ARG 40 2.471 -6.996 -0.850 303 HG3 ARG 40 3HG ARG 40 2.336 -7.291 0.891 304 HD2 ARG 40 2HD ARG 40 0.605 -8.863 -0.975 305 HD3 ARG 40 3HD ARG 40 2.329 -9.253 -0.930 306 HE ARG 40 HE ARG 40 0.310 -9.965 0.986 307 HH11 ARG 40 1HH1 ARG 40 3.834 -9.573 0.578 308 HH12 ARG 40 2HH1 ARG 40 4.181 -10.641 1.906 309 HH21 ARG 40 1HH2 ARG 40 0.841 -11.329 2.659 310 HH22 ARG 40 2HH2 ARG 40 2.526 -11.664 3.044 311 H PHE 41 H PHE 41 3.255 -4.346 0.598 312 HA PHE 41 HA PHE 41 3.390 -3.164 -2.119 313 HB2 PHE 41 2HB PHE 41 3.057 -1.304 -0.621 314 HB3 PHE 41 3HB PHE 41 4.221 -1.945 0.540 315 HD1 PHE 41 2HD PHE 41 4.093 -1.143 -3.144 316 HD2 PHE 41 1HD PHE 41 6.370 -0.989 0.520 317 HE1 PHE 41 2HE PHE 41 5.891 0.019 -4.329 318 HE2 PHE 41 1HE PHE 41 8.216 0.120 -0.689 319 HZ PHE 41 HZ PHE 41 7.983 0.597 -3.139 320 H ASP 42 H ASP 42 4.967 -4.235 -3.208 321 HA ASP 42 HA ASP 42 7.093 -5.685 -1.728 322 HB2 ASP 42 2HB ASP 42 5.719 -7.012 -3.237 323 HB3 ASP 42 3HB ASP 42 6.000 -5.899 -4.553 324 H ILE 43 H ILE 43 8.971 -4.566 -1.519 325 HA ILE 43 HA ILE 43 9.590 -2.254 -3.029 326 HB ILE 43 HB ILE 43 11.128 -4.089 -1.164 327 HG12 ILE 43 2HG1 ILE 43 11.412 -1.638 -0.181 328 HG13 ILE 43 3HG1 ILE 43 10.050 -1.251 -1.195 329 HG21 ILE 43 1HG2 ILE 43 12.394 -1.795 -2.707 330 HG22 ILE 43 2HG2 ILE 43 13.104 -2.620 -1.282 331 HG23 ILE 43 3HG2 ILE 43 12.859 -3.516 -2.763 332 HD11 ILE 43 3HD1 ILE 43 8.758 -3.057 0.038 333 HD12 ILE 43 1HD1 ILE 43 10.187 -3.247 1.102 334 HD13 ILE 43 2HD1 ILE 43 9.311 -1.710 1.039 335 H ARG 44 H ARG 44 10.468 -5.652 -3.542 336 HA ARG 44 HA ARG 44 12.287 -5.110 -5.734 337 HB2 ARG 44 2HB ARG 44 10.794 -7.598 -4.872 338 HB3 ARG 44 3HB ARG 44 11.858 -7.593 -6.284 339 HG2 ARG 44 2HG ARG 44 13.789 -7.275 -5.064 340 HG3 ARG 44 3HG ARG 44 12.981 -6.412 -3.756 341 HD2 ARG 44 2HD ARG 44 13.557 -8.402 -2.754 342 HD3 ARG 44 3HD ARG 44 11.845 -8.578 -3.165 343 HE ARG 44 HE ARG 44 13.629 -9.659 -5.210 344 HH11 ARG 44 1HH1 ARG 44 11.803 -10.332 -2.258 345 HH12 ARG 44 2HH1 ARG 44 11.811 -12.049 -2.429 346 HH21 ARG 44 1HH2 ARG 44 13.635 -11.808 -5.538 347 HH22 ARG 44 2HH2 ARG 44 12.907 -12.976 -4.455 348 H ALA 45 H ALA 45 8.861 -4.919 -5.588 349 HA ALA 45 HA ALA 45 8.664 -4.977 -8.567 350 HB1 ALA 45 1HB ALA 45 7.225 -6.571 -7.319 351 HB2 ALA 45 2HB ALA 45 6.455 -5.163 -6.523 352 HB3 ALA 45 3HB ALA 45 6.341 -5.379 -8.277 353 H SER 46 H SER 46 9.668 -2.670 -6.743 354 HA SER 46 HA SER 46 7.644 -0.674 -7.623 355 HB2 SER 46 2HB SER 46 7.990 0.533 -5.598 356 HB3 SER 46 3HB SER 46 7.697 -1.159 -5.165 357 HG SER 46 HG SER 46 10.022 -1.386 -5.024 358 H SER 47 H SER 47 8.229 1.408 -8.020 359 HA SER 47 HA SER 47 10.693 1.855 -9.465 360 HB2 SER 47 2HB SER 47 8.354 2.569 -10.097 361 HB3 SER 47 3HB SER 47 8.359 3.695 -8.733 362 HG SER 47 HG SER 47 9.067 4.239 -11.115 363 H LEU 48 H LEU 48 10.423 1.664 -6.234 364 HA LEU 48 HA LEU 48 11.258 4.231 -5.314 365 HB2 LEU 48 2HB LEU 48 11.557 1.459 -4.079 366 HB3 LEU 48 3HB LEU 48 12.035 2.933 -3.253 367 HG LEU 48 HG LEU 48 9.215 2.199 -4.136 368 HD11 LEU 48 1HD1 LEU 48 8.797 2.289 -1.659 369 HD12 LEU 48 2HD1 LEU 48 10.547 2.565 -1.405 370 HD13 LEU 48 3HD1 LEU 48 9.978 1.058 -2.133 371 HD21 LEU 48 3HD2 LEU 48 8.517 4.278 -2.902 372 HD22 LEU 48 1HD2 LEU 48 9.393 4.611 -4.379 373 HD23 LEU 48 2HD2 LEU 48 10.242 4.734 -2.814 374 HA PRO 49 HA PRO 49 15.469 4.363 -6.437 375 HB2 PRO 49 2HB PRO 49 16.581 5.782 -4.335 376 HB3 PRO 49 3HB PRO 49 15.623 6.523 -5.633 377 HG2 PRO 49 2HG PRO 49 14.741 5.690 -2.896 378 HG3 PRO 49 3HG PRO 49 14.377 7.216 -3.758 379 HD2 PRO 49 2HD PRO 49 12.610 5.153 -3.648 380 HD3 PRO 49 3HD PRO 49 12.770 6.106 -5.147 381 H GLU 50 H GLU 50 17.560 3.606 -5.921 382 HA GLU 50 HA GLU 50 17.756 1.159 -4.688 383 HB2 GLU 50 2HB GLU 50 20.189 1.473 -4.849 384 HB3 GLU 50 3HB GLU 50 19.370 2.058 -6.293 385 HG2 GLU 50 2HG GLU 50 19.538 4.432 -5.317 386 HG3 GLU 50 3HG GLU 50 20.530 3.762 -4.027 387 H TYR 51 H TYR 51 18.413 4.359 -3.166 388 HA TYR 51 HA TYR 51 19.587 3.403 -0.765 389 HB2 TYR 51 2HB TYR 51 19.553 5.773 -1.598 390 HB3 TYR 51 3HB TYR 51 17.860 5.892 -1.145 391 HD1 TYR 51 2HD TYR 51 17.242 5.677 1.371 392 HD2 TYR 51 1HD TYR 51 21.312 6.023 -0.034 393 HE1 TYR 51 2HE TYR 51 17.989 6.287 3.651 394 HE2 TYR 51 1HE TYR 51 22.046 6.691 2.216 395 HH TYR 51 HH TYR 51 19.894 6.570 5.049 396 H TYR 52 H TYR 52 16.189 4.227 -1.613 397 HA TYR 52 HA TYR 52 15.160 3.326 0.919 398 HB2 TYR 52 2HB TYR 52 13.863 3.801 -1.793 399 HB3 TYR 52 3HB TYR 52 12.976 3.117 -0.462 400 HD1 TYR 52 2HD TYR 52 15.359 6.106 -0.784 401 HD2 TYR 52 1HD TYR 52 11.599 4.521 0.640 402 HE1 TYR 52 2HE TYR 52 14.863 8.253 0.265 403 HE2 TYR 52 1HE TYR 52 11.052 6.715 1.604 404 HH TYR 52 HH TYR 52 13.462 9.009 2.214 405 H LYS 53 H LYS 53 15.931 1.587 -2.135 406 HA LYS 53 HA LYS 53 14.410 -0.722 -1.419 407 HB2 LYS 53 2HB LYS 53 16.860 -0.562 -3.225 408 HB3 LYS 53 3HB LYS 53 15.839 -1.978 -3.002 409 HG2 LYS 53 2HG LYS 53 13.984 0.061 -3.600 410 HG3 LYS 53 3HG LYS 53 15.362 0.422 -4.646 411 HD2 LYS 53 2HD LYS 53 15.259 -1.820 -5.624 412 HD3 LYS 53 3HD LYS 53 13.996 -2.295 -4.473 413 HE2 LYS 53 2HE LYS 53 12.468 -0.605 -5.371 414 HE3 LYS 53 3HE LYS 53 13.712 -0.038 -6.490 415 HZ1 LYS 53 3HZ LYS 53 12.426 -2.700 -6.470 416 HZ2 LYS 53 1HZ LYS 53 13.639 -2.266 -7.515 417 HZ3 LYS 53 2HZ LYS 53 12.174 -1.529 -7.574 418 H GLU 54 H GLU 54 17.901 -0.100 -0.924 419 HA GLU 54 HA GLU 54 18.304 -2.444 0.625 420 HB2 GLU 54 2HB GLU 54 19.638 0.297 0.870 421 HB3 GLU 54 3HB GLU 54 20.176 -1.192 1.667 422 HG2 GLU 54 2HG GLU 54 20.318 -2.284 -0.542 423 HG3 GLU 54 3HG GLU 54 20.002 -0.743 -1.337 424 H ARG 55 H ARG 55 17.321 0.799 1.640 425 HA ARG 55 HA ARG 55 17.369 0.317 4.439 426 HB2 ARG 55 2HB ARG 55 15.999 2.331 2.661 427 HB3 ARG 55 3HB ARG 55 15.420 2.132 4.300 428 HG2 ARG 55 2HG ARG 55 17.036 3.989 4.078 429 HG3 ARG 55 3HG ARG 55 17.411 2.781 5.296 430 HD2 ARG 55 2HD ARG 55 18.914 1.737 3.415 431 HD3 ARG 55 3HD ARG 55 18.775 3.305 2.631 432 HE ARG 55 HE ARG 55 20.282 4.175 4.076 433 HH11 ARG 55 1HH1 ARG 55 19.389 1.080 5.437 434 HH12 ARG 55 2HH1 ARG 55 19.895 1.411 7.048 435 HH21 ARG 55 1HH2 ARG 55 21.432 4.464 6.111 436 HH22 ARG 55 2HH2 ARG 55 20.952 3.476 7.462 437 H LEU 56 H LEU 56 14.564 -0.010 2.219 438 HA LEU 56 HA LEU 56 12.911 -0.965 4.412 439 HB2 LEU 56 2HB LEU 56 12.485 -1.030 1.442 440 HB3 LEU 56 3HB LEU 56 11.243 -1.350 2.665 441 HG LEU 56 HG LEU 56 12.590 1.288 1.963 442 HD11 LEU 56 1HD1 LEU 56 10.604 0.592 0.667 443 HD12 LEU 56 2HD1 LEU 56 10.395 2.106 1.552 444 HD13 LEU 56 3HD1 LEU 56 9.656 0.608 2.163 445 HD21 LEU 56 3HD2 LEU 56 12.663 1.352 4.313 446 HD22 LEU 56 1HD2 LEU 56 10.977 0.768 4.452 447 HD23 LEU 56 2HD2 LEU 56 11.342 2.375 3.763 448 H LEU 57 H LEU 57 15.015 -2.586 2.001 449 HA LEU 57 HA LEU 57 13.851 -5.210 2.514 450 HB2 LEU 57 2HB LEU 57 16.359 -4.183 1.157 451 HB3 LEU 57 3HB LEU 57 16.240 -5.885 1.551 452 HG LEU 57 HG LEU 57 13.890 -4.641 0.120 453 HD11 LEU 57 1HD1 LEU 57 15.889 -3.903 -1.171 454 HD12 LEU 57 2HD1 LEU 57 14.937 -5.112 -2.060 455 HD13 LEU 57 3HD1 LEU 57 16.449 -5.577 -1.250 456 HD21 LEU 57 3HD2 LEU 57 13.906 -7.028 0.959 457 HD22 LEU 57 1HD2 LEU 57 15.234 -7.359 -0.155 458 HD23 LEU 57 2HD2 LEU 57 13.649 -6.869 -0.790 459 H ALA 58 H ALA 58 16.413 -3.200 3.943 460 HA ALA 58 HA ALA 58 17.352 -5.346 5.726 461 HB1 ALA 58 1HB ALA 58 19.003 -3.680 6.373 462 HB2 ALA 58 2HB ALA 58 18.898 -3.740 4.596 463 HB3 ALA 58 3HB ALA 58 18.133 -2.408 5.484 464 H ALA 59 H ALA 59 14.698 -3.378 5.736 465 HA ALA 59 HA ALA 59 14.635 -2.156 8.288 466 HB1 ALA 59 1HB ALA 59 12.135 -2.228 7.875 467 HB2 ALA 59 2HB ALA 59 13.086 -1.526 6.535 468 HB3 ALA 59 3HB ALA 59 12.438 -3.190 6.453 469 H SER 60 H SER 60 14.335 -2.959 10.289 470 HA SER 60 HA SER 60 13.571 -5.811 10.572 471 HB2 SER 60 2HB SER 60 15.749 -4.709 11.433 472 HB3 SER 60 3HB SER 60 14.741 -4.025 12.709 473 HG SER 60 HG SER 60 14.434 -5.991 13.519 474 H HIS 61 H HIS 61 11.344 -5.476 10.189 475 HA HIS 61 HA HIS 61 9.817 -4.225 12.414 476 HB2 HIS 61 2HB HIS 61 9.907 -3.006 9.989 477 HB3 HIS 61 3HB HIS 61 8.742 -4.202 9.592 478 HD1 HIS 61 1HD HIS 61 6.929 -4.163 12.334 479 HD2 HIS 61 2HD HIS 61 8.483 -0.870 10.171 480 HE1 HIS 61 1HE HIS 61 5.484 -2.186 12.900 481 H HIS 62 H HIS 62 8.351 -5.643 13.262 482 HA HIS 62 HA HIS 62 7.944 -8.246 12.304 483 HB2 HIS 62 2HB HIS 62 6.234 -8.376 14.040 484 HB3 HIS 62 3HB HIS 62 7.613 -7.466 14.647 485 HD1 HIS 62 1HD HIS 62 7.121 -4.892 15.344 486 HD2 HIS 62 2HD HIS 62 3.929 -7.016 13.586 487 HE1 HIS 62 1HE HIS 62 5.104 -3.358 15.432 488 H LEU 63 H LEU 63 6.901 -5.621 10.668 489 HA LEU 63 HA LEU 63 4.372 -6.847 9.716 490 HB2 LEU 63 2HB LEU 63 5.164 -3.920 9.669 491 HB3 LEU 63 3HB LEU 63 3.698 -4.618 8.978 492 HG LEU 63 HG LEU 63 4.421 -4.651 11.912 493 HD11 LEU 63 1HD1 LEU 63 3.822 -2.381 11.025 494 HD12 LEU 63 2HD1 LEU 63 2.770 -2.984 12.314 495 HD13 LEU 63 3HD1 LEU 63 2.217 -3.019 10.624 496 HD21 LEU 63 3HD2 LEU 63 2.049 -5.366 12.256 497 HD22 LEU 63 1HD2 LEU 63 2.963 -6.565 11.358 498 HD23 LEU 63 2HD2 LEU 63 1.842 -5.493 10.490 499 H ILE 64 H ILE 64 7.669 -6.396 8.820 500 HA ILE 64 HA ILE 64 6.905 -6.414 5.947 501 HB ILE 64 HB ILE 64 9.573 -5.742 7.242 502 HG12 ILE 64 2HG1 ILE 64 7.471 -3.939 5.948 503 HG13 ILE 64 3HG1 ILE 64 7.754 -4.023 7.662 504 HG21 ILE 64 1HG2 ILE 64 8.607 -5.594 4.324 505 HG22 ILE 64 2HG2 ILE 64 10.179 -5.024 4.902 506 HG23 ILE 64 3HG2 ILE 64 9.812 -6.720 4.982 507 HD11 ILE 64 3HD1 ILE 64 10.074 -3.294 7.356 508 HD12 ILE 64 1HD1 ILE 64 9.744 -3.039 5.619 509 HD13 ILE 64 2HD1 ILE 64 8.853 -2.105 6.824 510 H SER 65 H SER 65 7.495 -8.122 4.778 511 HA SER 65 HA SER 65 8.224 -10.603 6.257 512 HB2 SER 65 2HB SER 65 7.346 -10.176 3.367 513 HB3 SER 65 3HB SER 65 7.510 -11.728 4.214 514 HG SER 65 HG SER 65 5.663 -11.418 5.184 515 H SER 66 H SER 66 10.147 -11.801 5.656 516 HA SER 66 HA SER 66 12.414 -10.359 5.073 517 HB2 SER 66 2HB SER 66 11.903 -13.334 4.747 518 HB3 SER 66 3HB SER 66 13.493 -12.563 4.898 519 HG SER 66 HG SER 66 11.701 -13.194 6.837 520 H ASP 67 H ASP 67 10.165 -11.162 2.645 521 HA ASP 67 HA ASP 67 12.176 -11.374 0.470 522 HB2 ASP 67 2HB ASP 67 9.220 -11.747 0.757 523 HB3 ASP 67 3HB ASP 67 9.765 -11.128 -0.788 524 H GLY 68 H GLY 68 11.081 -8.864 2.387 525 HA2 GLY 68 2HA GLY 68 11.429 -6.635 2.201 526 HA3 GLY 68 3HA GLY 68 11.723 -6.785 0.464 527 H VAL 69 H VAL 69 8.838 -8.231 1.908 528 HA VAL 69 HA VAL 69 7.255 -6.244 0.380 529 HB VAL 69 HB VAL 69 6.275 -8.951 1.338 530 HG11 VAL 69 1HG1 VAL 69 4.539 -7.325 0.775 531 HG12 VAL 69 2HG1 VAL 69 5.338 -6.928 -0.751 532 HG13 VAL 69 3HG1 VAL 69 4.640 -8.524 -0.553 533 HG21 VAL 69 3HG2 VAL 69 7.546 -8.207 -1.324 534 HG22 VAL 69 1HG2 VAL 69 8.134 -9.425 -0.176 535 HG23 VAL 69 2HG2 VAL 69 6.616 -9.687 -1.038 536 H ILE 70 H ILE 70 6.322 -4.695 1.542 537 HA ILE 70 HA ILE 70 6.037 -4.866 4.467 538 HB ILE 70 HB ILE 70 5.360 -2.589 2.535 539 HG12 ILE 70 2HG1 ILE 70 7.954 -3.350 3.899 540 HG13 ILE 70 3HG1 ILE 70 7.647 -2.955 2.227 541 HG21 ILE 70 1HG2 ILE 70 4.222 -2.380 4.718 542 HG22 ILE 70 2HG2 ILE 70 5.786 -2.542 5.553 543 HG23 ILE 70 3HG2 ILE 70 5.457 -1.140 4.531 544 HD11 ILE 70 3HD1 ILE 70 7.715 -0.979 4.546 545 HD12 ILE 70 1HD1 ILE 70 8.936 -1.212 3.308 546 HD13 ILE 70 2HD1 ILE 70 7.342 -0.561 2.851 547 H VAL 71 H VAL 71 4.054 -5.239 5.482 548 HA VAL 71 HA VAL 71 1.613 -5.429 3.756 549 HB VAL 71 HB VAL 71 2.574 -7.223 5.990 550 HG11 VAL 71 1HG1 VAL 71 0.505 -8.563 5.480 551 HG12 VAL 71 2HG1 VAL 71 0.162 -7.000 6.226 552 HG13 VAL 71 3HG1 VAL 71 -0.065 -7.212 4.477 553 HG21 VAL 71 3HG2 VAL 71 2.023 -7.811 3.061 554 HG22 VAL 71 1HG2 VAL 71 3.638 -7.698 3.791 555 HG23 VAL 71 2HG2 VAL 71 2.547 -8.986 4.289 556 H ILE 72 H ILE 72 -0.197 -4.354 4.728 557 HA ILE 72 HA ILE 72 -0.061 -3.415 7.546 558 HB ILE 72 HB ILE 72 -0.631 -1.708 5.090 559 HG12 ILE 72 2HG1 ILE 72 1.077 -1.027 7.485 560 HG13 ILE 72 3HG1 ILE 72 1.732 -2.006 6.158 561 HG21 ILE 72 1HG2 ILE 72 -1.300 0.147 6.648 562 HG22 ILE 72 2HG2 ILE 72 -2.442 -1.181 6.717 563 HG23 ILE 72 3HG2 ILE 72 -1.234 -0.960 8.010 564 HD11 ILE 72 3HD1 ILE 72 1.580 -0.323 4.605 565 HD12 ILE 72 1HD1 ILE 72 0.582 0.719 5.651 566 HD13 ILE 72 2HD1 ILE 72 2.274 0.387 6.065 567 H LYS 73 H LYS 73 -2.105 -3.455 8.539 568 HA LYS 73 HA LYS 73 -4.401 -4.408 6.881 569 HB2 LYS 73 2HB LYS 73 -3.662 -5.457 9.655 570 HB3 LYS 73 3HB LYS 73 -5.021 -5.958 8.632 571 HG2 LYS 73 2HG LYS 73 -3.321 -6.670 6.880 572 HG3 LYS 73 3HG LYS 73 -2.044 -6.321 8.045 573 HD2 LYS 73 2HD LYS 73 -2.998 -8.020 9.593 574 HD3 LYS 73 3HD LYS 73 -4.172 -8.472 8.325 575 HE2 LYS 73 2HE LYS 73 -2.320 -9.006 6.771 576 HE3 LYS 73 3HE LYS 73 -1.135 -8.415 7.949 577 HZ1 LYS 73 3HZ LYS 73 -2.835 -10.806 8.249 578 HZ2 LYS 73 1HZ LYS 73 -1.813 -10.191 9.420 579 HZ3 LYS 73 2HZ LYS 73 -1.196 -10.749 8.020 580 H ALA 74 H ALA 74 -5.413 -2.472 6.797 581 HA ALA 74 HA ALA 74 -5.555 -0.766 9.231 582 HB1 ALA 74 1HB ALA 74 -6.393 0.946 7.650 583 HB2 ALA 74 2HB ALA 74 -4.771 0.364 7.233 584 HB3 ALA 74 3HB ALA 74 -6.195 -0.208 6.321 585 H GLN 75 H GLN 75 -7.363 -0.901 10.433 586 HA GLN 75 HA GLN 75 -9.932 -1.415 9.101 587 HB2 GLN 75 2HB GLN 75 -9.537 -3.153 11.477 588 HB3 GLN 75 3HB GLN 75 -10.428 -3.426 10.007 589 HG2 GLN 75 2HG GLN 75 -8.155 -3.970 8.895 590 HG3 GLN 75 3HG GLN 75 -7.432 -3.811 10.487 591 HE21 GLN 75 1HE2 GLN 75 -7.975 -6.270 8.558 592 HE22 GLN 75 2HE2 GLN 75 -8.796 -7.383 9.642 593 H GLU 76 H GLU 76 -10.957 0.317 9.853 594 HA GLU 76 HA GLU 76 -11.310 0.783 12.747 595 HB2 GLU 76 2HB GLU 76 -10.270 2.953 10.868 596 HB3 GLU 76 3HB GLU 76 -10.864 3.188 12.514 597 HG2 GLU 76 2HG GLU 76 -9.028 1.571 13.285 598 HG3 GLU 76 3HG GLU 76 -8.380 1.696 11.643 599 H TYR 77 H TYR 77 -12.125 1.460 9.343 600 HA TYR 77 HA TYR 77 -14.743 2.592 10.042 601 HB2 TYR 77 2HB TYR 77 -13.384 2.062 7.370 602 HB3 TYR 77 3HB TYR 77 -14.876 2.955 7.609 603 HD1 TYR 77 1HD TYR 77 -11.173 3.048 8.180 604 HD2 TYR 77 2HD TYR 77 -14.885 5.277 8.334 605 HE1 TYR 77 1HE TYR 77 -9.909 5.124 8.530 606 HE2 TYR 77 2HE TYR 77 -13.599 7.366 8.584 607 HH TYR 77 HH TYR 77 -10.063 7.557 8.397 608 H ARG 78 H ARG 78 -16.608 1.710 8.630 609 HA ARG 78 HA ARG 78 -16.678 -1.271 8.795 610 HB2 ARG 78 2HB ARG 78 -18.247 0.424 10.054 611 HB3 ARG 78 3HB ARG 78 -19.127 0.419 8.530 612 HG2 ARG 78 2HG ARG 78 -19.736 -1.820 8.724 613 HG3 ARG 78 3HG ARG 78 -18.301 -2.275 9.650 614 HD2 ARG 78 2HD ARG 78 -20.564 -0.603 10.722 615 HD3 ARG 78 3HD ARG 78 -20.361 -2.352 10.979 616 HE ARG 78 HE ARG 78 -17.993 -1.402 11.873 617 HH11 ARG 78 1HH1 ARG 78 -21.234 -0.153 12.571 618 HH12 ARG 78 2HH1 ARG 78 -20.786 0.536 14.098 619 HH21 ARG 78 1HH2 ARG 78 -17.477 -0.745 13.987 620 HH22 ARG 78 2HH2 ARG 78 -18.728 -0.125 15.036 621 H SER 79 H SER 79 -16.205 1.109 6.447 622 HA SER 79 HA SER 79 -17.462 -0.561 4.347 623 HB2 SER 79 2HB SER 79 -17.379 2.407 4.807 624 HB3 SER 79 3HB SER 79 -17.451 1.783 3.148 625 HG SER 79 HG SER 79 -19.568 1.783 3.844 626 H GLN 80 H GLN 80 -16.184 -1.471 3.078 627 HA GLN 80 HA GLN 80 -13.385 -1.587 3.317 628 HB2 GLN 80 2HB GLN 80 -15.401 -3.213 2.472 629 HB3 GLN 80 3HB GLN 80 -14.809 -2.721 0.906 630 HG2 GLN 80 2HG GLN 80 -12.779 -3.836 1.199 631 HG3 GLN 80 3HG GLN 80 -12.810 -3.652 2.960 632 HE21 GLN 80 1HE2 GLN 80 -12.522 -5.802 3.567 633 HE22 GLN 80 2HE2 GLN 80 -13.687 -7.060 3.184 634 H GLU 81 H GLU 81 -14.471 1.046 2.428 635 HA GLU 81 HA GLU 81 -12.900 1.557 -0.031 636 HB2 GLU 81 2HB GLU 81 -15.355 1.696 -0.315 637 HB3 GLU 81 3HB GLU 81 -15.462 2.825 1.036 638 HG2 GLU 81 2HG GLU 81 -13.967 4.408 -0.207 639 HG3 GLU 81 3HG GLU 81 -13.972 3.294 -1.584 640 H LEU 82 H LEU 82 -13.679 2.399 3.332 641 HA LEU 82 HA LEU 82 -11.962 4.817 3.231 642 HB2 LEU 82 2HB LEU 82 -13.513 3.616 5.538 643 HB3 LEU 82 3HB LEU 82 -12.638 5.142 5.543 644 HG LEU 82 HG LEU 82 -14.887 5.714 5.387 645 HD11 LEU 82 1HD1 LEU 82 -13.969 5.774 2.481 646 HD12 LEU 82 2HD1 LEU 82 -13.424 6.910 3.739 647 HD13 LEU 82 3HD1 LEU 82 -15.132 6.850 3.269 648 HD21 LEU 82 3HD2 LEU 82 -15.451 3.936 3.028 649 HD22 LEU 82 1HD2 LEU 82 -16.556 4.767 4.129 650 HD23 LEU 82 2HD2 LEU 82 -15.599 3.404 4.725 651 H ASN 83 H ASN 83 -12.084 1.530 4.503 652 HA ASN 83 HA ASN 83 -9.820 1.768 6.243 653 HB2 ASN 83 2HB ASN 83 -11.111 -0.627 4.903 654 HB3 ASN 83 3HB ASN 83 -9.676 -0.776 5.923 655 HD21 ASN 83 1HD2 ASN 83 -12.880 -1.447 6.287 656 HD22 ASN 83 2HD2 ASN 83 -13.107 -0.791 7.874 657 H ARG 84 H ARG 84 -9.966 1.509 2.767 658 HA ARG 84 HA ARG 84 -7.196 0.682 2.424 659 HB2 ARG 84 2HB ARG 84 -7.595 1.519 0.022 660 HB3 ARG 84 3HB ARG 84 -8.550 0.142 0.551 661 HG2 ARG 84 2HG ARG 84 -10.501 1.496 0.921 662 HG3 ARG 84 3HG ARG 84 -9.594 2.977 0.585 663 HD2 ARG 84 2HD ARG 84 -9.220 1.436 -1.708 664 HD3 ARG 84 3HD ARG 84 -10.867 1.043 -1.233 665 HE ARG 84 HE ARG 84 -11.533 3.255 -1.555 666 HH11 ARG 84 1HH1 ARG 84 -8.132 2.883 -2.536 667 HH12 ARG 84 2HH1 ARG 84 -7.887 4.569 -2.850 668 HH21 ARG 84 1HH2 ARG 84 -11.305 5.415 -2.274 669 HH22 ARG 84 2HH2 ARG 84 -9.769 6.029 -2.780 670 H GLU 85 H GLU 85 -8.863 3.914 2.369 671 HA GLU 85 HA GLU 85 -6.409 5.218 1.767 672 HB2 GLU 85 2HB GLU 85 -7.588 7.282 2.315 673 HB3 GLU 85 3HB GLU 85 -8.437 6.264 1.132 674 HG2 GLU 85 2HG GLU 85 -10.012 5.526 2.751 675 HG3 GLU 85 3HG GLU 85 -9.036 6.218 4.084 676 H ALA 86 H ALA 86 -7.488 3.785 4.577 677 HA ALA 86 HA ALA 86 -5.979 5.527 6.422 678 HB1 ALA 86 1HB ALA 86 -7.469 2.916 6.926 679 HB2 ALA 86 2HB ALA 86 -6.763 3.973 8.170 680 HB3 ALA 86 3HB ALA 86 -8.110 4.554 7.168 681 H ALA 87 H ALA 87 -5.509 2.611 4.537 682 HA ALA 87 HA ALA 87 -3.292 1.550 6.083 683 HB1 ALA 87 1HB ALA 87 -3.029 -0.006 4.238 684 HB2 ALA 87 2HB ALA 87 -4.762 0.139 4.588 685 HB3 ALA 87 3HB ALA 87 -4.071 0.973 3.185 686 H LEU 88 H LEU 88 -3.602 3.547 3.122 687 HA LEU 88 HA LEU 88 -0.909 3.576 2.413 688 HB2 LEU 88 2HB LEU 88 -1.402 5.393 0.974 689 HB3 LEU 88 3HB LEU 88 -2.825 4.393 1.069 690 HG LEU 88 HG LEU 88 -3.458 6.173 3.007 691 HD11 LEU 88 1HD1 LEU 88 -2.813 8.454 2.373 692 HD12 LEU 88 2HD1 LEU 88 -1.803 7.832 1.051 693 HD13 LEU 88 3HD1 LEU 88 -1.349 7.530 2.731 694 HD21 LEU 88 3HD2 LEU 88 -4.659 5.587 0.808 695 HD22 LEU 88 1HD2 LEU 88 -3.824 6.965 0.123 696 HD23 LEU 88 2HD2 LEU 88 -4.942 7.198 1.499 697 H ALA 89 H ALA 89 -2.598 5.615 4.796 698 HA ALA 89 HA ALA 89 -0.599 7.488 5.341 699 HB1 ALA 89 1HB ALA 89 -1.727 7.750 7.512 700 HB2 ALA 89 2HB ALA 89 -2.922 7.568 6.210 701 HB3 ALA 89 3HB ALA 89 -2.572 6.208 7.296 702 H ARG 90 H ARG 90 -1.120 4.319 6.840 703 HA ARG 90 HA ARG 90 1.050 4.402 8.699 704 HB2 ARG 90 2HB ARG 90 -0.494 2.115 7.405 705 HB3 ARG 90 3HB ARG 90 0.678 1.882 8.715 706 HG2 ARG 90 2HG ARG 90 -0.576 3.214 10.215 707 HG3 ARG 90 3HG ARG 90 -1.697 3.794 8.966 708 HD2 ARG 90 2HD ARG 90 -2.603 1.570 8.695 709 HD3 ARG 90 3HD ARG 90 -1.401 0.910 9.811 710 HE ARG 90 HE ARG 90 -3.844 2.495 10.387 711 HH11 ARG 90 1HH1 ARG 90 -0.676 1.659 12.017 712 HH12 ARG 90 2HH1 ARG 90 -1.455 1.906 13.557 713 HH21 ARG 90 1HH2 ARG 90 -4.426 3.239 12.396 714 HH22 ARG 90 2HH2 ARG 90 -3.304 3.176 13.697 715 H LEU 91 H LEU 91 0.873 3.301 5.327 716 HA LEU 91 HA LEU 91 3.435 2.010 5.295 717 HB2 LEU 91 2HB LEU 91 1.675 1.671 3.558 718 HB3 LEU 91 3HB LEU 91 1.859 3.330 3.059 719 HG LEU 91 HG LEU 91 4.123 2.927 2.248 720 HD11 LEU 91 1HD1 LEU 91 3.715 0.091 3.298 721 HD12 LEU 91 2HD1 LEU 91 4.967 1.279 3.794 722 HD13 LEU 91 3HD1 LEU 91 5.010 0.580 2.183 723 HD21 LEU 91 3HD2 LEU 91 2.535 2.584 0.575 724 HD22 LEU 91 1HD2 LEU 91 1.878 1.113 1.324 725 HD23 LEU 91 2HD2 LEU 91 3.449 1.089 0.513 726 H VAL 92 H VAL 92 2.421 5.206 4.257 727 HA VAL 92 HA VAL 92 4.886 6.255 3.533 728 HB VAL 92 HB VAL 92 2.554 7.612 4.974 729 HG11 VAL 92 1HG1 VAL 92 3.352 9.789 4.119 730 HG12 VAL 92 2HG1 VAL 92 4.462 9.116 5.314 731 HG13 VAL 92 3HG1 VAL 92 4.867 9.029 3.601 732 HG21 VAL 92 3HG2 VAL 92 1.825 8.352 2.827 733 HG22 VAL 92 1HG2 VAL 92 3.337 7.811 2.073 734 HG23 VAL 92 2HG2 VAL 92 2.169 6.621 2.676 735 H ALA 93 H ALA 93 3.432 6.067 6.769 736 HA ALA 93 HA ALA 93 5.331 7.606 8.242 737 HB1 ALA 93 1HB ALA 93 4.233 6.657 10.211 738 HB2 ALA 93 2HB ALA 93 3.044 7.165 9.014 739 HB3 ALA 93 3HB ALA 93 3.414 5.436 9.208 740 H MET 94 H MET 94 4.939 4.011 8.138 741 HA MET 94 HA MET 94 7.317 3.510 9.716 742 HB2 MET 94 2HB MET 94 7.137 1.235 8.959 743 HB3 MET 94 3HB MET 94 5.539 1.856 9.399 744 HG2 MET 94 2HG MET 94 5.100 2.284 6.968 745 HG3 MET 94 3HG MET 94 6.609 1.510 6.571 746 HE1 MET 94 3HE MET 94 5.895 -0.968 9.187 747 HE2 MET 94 1HE MET 94 5.706 -2.212 7.950 748 HE3 MET 94 2HE MET 94 7.028 -1.027 7.810 749 H ILE 95 H ILE 95 6.848 4.085 6.176 750 HA ILE 95 HA ILE 95 9.485 3.323 5.511 751 HB ILE 95 HB ILE 95 7.464 5.139 4.207 752 HG12 ILE 95 2HG1 ILE 95 8.759 2.455 3.476 753 HG13 ILE 95 3HG1 ILE 95 7.247 2.594 4.358 754 HG21 ILE 95 1HG2 ILE 95 10.212 4.419 3.072 755 HG22 ILE 95 2HG2 ILE 95 8.912 5.304 2.238 756 HG23 ILE 95 3HG2 ILE 95 9.733 6.036 3.614 757 HD11 ILE 95 3HD1 ILE 95 6.259 3.850 2.444 758 HD12 ILE 95 1HD1 ILE 95 7.745 3.490 1.516 759 HD13 ILE 95 2HD1 ILE 95 6.741 2.166 2.100 760 H LYS 96 H LYS 96 8.083 6.509 6.466 761 HA LYS 96 HA LYS 96 10.535 7.978 6.511 762 HB2 LYS 96 2HB LYS 96 7.806 8.457 7.758 763 HB3 LYS 96 3HB LYS 96 9.143 9.605 7.882 764 HG2 LYS 96 2HG LYS 96 9.269 9.882 5.483 765 HG3 LYS 96 3HG LYS 96 7.972 8.702 5.232 766 HD2 LYS 96 2HD LYS 96 6.417 10.126 6.535 767 HD3 LYS 96 3HD LYS 96 7.730 11.271 6.851 768 HE2 LYS 96 2HE LYS 96 7.949 11.597 4.339 769 HE3 LYS 96 3HE LYS 96 6.521 10.574 4.144 770 HZ1 LYS 96 3HZ LYS 96 5.735 12.729 4.121 771 HZ2 LYS 96 1HZ LYS 96 6.615 13.227 5.447 772 HZ3 LYS 96 2HZ LYS 96 5.343 12.196 5.598 773 H GLU 97 H GLU 97 10.252 5.387 8.284 774 HA GLU 97 HA GLU 97 11.650 6.510 10.649 775 HB2 GLU 97 2HB GLU 97 9.425 4.422 10.542 776 HB3 GLU 97 3HB GLU 97 10.613 4.467 11.830 777 HG2 GLU 97 2HG GLU 97 10.001 6.923 12.181 778 HG3 GLU 97 3HG GLU 97 8.666 6.688 11.059 779 H LEU 98 H LEU 98 11.174 3.867 8.327 780 HA LEU 98 HA LEU 98 13.500 2.348 9.215 781 HB2 LEU 98 2HB LEU 98 11.853 2.208 6.662 782 HB3 LEU 98 3HB LEU 98 13.036 1.002 7.165 783 HG LEU 98 HG LEU 98 10.624 1.723 8.852 784 HD11 LEU 98 1HD1 LEU 98 9.813 0.987 6.677 785 HD12 LEU 98 2HD1 LEU 98 9.465 -0.210 7.926 786 HD13 LEU 98 3HD1 LEU 98 10.808 -0.481 6.780 787 HD21 LEU 98 3HD2 LEU 98 12.059 0.625 10.240 788 HD22 LEU 98 1HD2 LEU 98 12.611 -0.511 9.018 789 HD23 LEU 98 2HD2 LEU 98 10.978 -0.672 9.714 790 H THR 99 H THR 99 12.886 4.919 6.902 791 HA THR 99 HA THR 99 15.641 4.587 5.754 792 HB THR 99 HB THR 99 14.996 5.857 3.896 793 HG1 THR 99 1HG THR 99 13.859 7.493 4.303 794 HG21 THR 99 3HG2 THR 99 12.519 4.215 4.536 795 HG22 THR 99 1HG2 THR 99 14.003 3.601 3.795 796 HG23 THR 99 2HG2 THR 99 13.029 4.792 2.948 797 H THR 100 H THR 100 13.852 6.734 7.946 798 HA THR 100 HA THR 100 16.239 8.349 8.266 799 HB THR 100 HB THR 100 14.741 9.098 6.329 800 HG1 THR 100 1HG THR 100 16.292 10.384 7.163 801 HG21 THR 100 3HG2 THR 100 12.574 8.796 7.441 802 HG22 THR 100 1HG2 THR 100 12.770 10.366 6.689 803 HG23 THR 100 2HG2 THR 100 12.908 10.214 8.451 804 H GLU 101 H GLU 101 15.519 10.187 9.983 805 HA GLU 101 HA GLU 101 14.410 8.666 12.271 806 HB2 GLU 101 2HB GLU 101 16.670 9.710 12.389 807 HB3 GLU 101 3HB GLU 101 15.946 11.300 12.176 808 HG2 GLU 101 2HG GLU 101 14.651 10.943 14.308 809 HG3 GLU 101 3HG GLU 101 15.411 9.359 14.483 810 H LYS 102 H LYS 102 12.887 9.976 13.733 811 HA LYS 102 HA LYS 102 10.903 11.367 12.030 812 HB2 LYS 102 2HB LYS 102 9.313 10.888 13.785 813 HB3 LYS 102 3HB LYS 102 10.034 9.451 13.102 814 HG2 LYS 102 2HG LYS 102 11.349 10.510 15.596 815 HG3 LYS 102 3HG LYS 102 9.694 9.975 15.761 816 HD2 LYS 102 2HD LYS 102 11.840 8.240 14.476 817 HD3 LYS 102 3HD LYS 102 11.569 8.248 16.210 818 HE2 LYS 102 2HE LYS 102 9.356 7.700 14.207 819 HE3 LYS 102 3HE LYS 102 10.384 6.424 14.866 820 HZ1 LYS 102 3HZ LYS 102 8.275 6.684 16.001 821 HZ2 LYS 102 1HZ LYS 102 8.672 8.166 16.563 822 HZ3 LYS 102 2HZ LYS 102 9.544 6.819 17.008 823 H LYS 103 H LYS 103 10.158 13.511 12.425 824 HA LYS 103 HA LYS 103 10.898 14.818 14.934 825 HB2 LYS 103 2HB LYS 103 12.719 15.118 12.846 826 HB3 LYS 103 3HB LYS 103 11.650 16.468 12.567 827 HG2 LYS 103 2HG LYS 103 13.422 17.218 13.954 828 HG3 LYS 103 3HG LYS 103 11.991 17.161 14.985 829 HD2 LYS 103 2HD LYS 103 12.789 14.950 15.897 830 HD3 LYS 103 3HD LYS 103 14.221 15.063 14.885 831 HE2 LYS 103 2HE LYS 103 13.418 17.010 17.093 832 HE3 LYS 103 3HE LYS 103 14.595 15.699 17.241 833 HZ1 LYS 103 3HZ LYS 103 15.737 17.698 16.878 834 HZ2 LYS 103 1HZ LYS 103 14.848 18.098 15.554 835 HZ3 LYS 103 2HZ LYS 103 15.898 16.808 15.516 836 H ALA 104 H ALA 104 9.911 16.944 15.146 837 HA ALA 104 HA ALA 104 8.048 18.189 15.263 838 HB1 ALA 104 1HB ALA 104 7.330 19.288 13.207 839 HB2 ALA 104 2HB ALA 104 9.096 19.205 13.290 840 HB3 ALA 104 3HB ALA 104 8.202 18.090 12.228 841 H ARG 105 H ARG 105 7.440 15.794 15.989 842 HA ARG 105 HA ARG 105 5.272 14.663 14.396 843 HB2 ARG 105 2HB ARG 105 5.160 12.897 16.003 844 HB3 ARG 105 3HB ARG 105 6.809 13.186 15.504 845 HG2 ARG 105 2HG ARG 105 7.304 14.308 17.654 846 HG3 ARG 105 3HG ARG 105 5.626 14.014 18.179 847 HD2 ARG 105 2HD ARG 105 5.923 11.594 17.853 848 HD3 ARG 105 3HD ARG 105 7.566 11.819 17.279 849 HE ARG 105 HE ARG 105 6.624 11.688 19.974 850 HH11 ARG 105 1HH1 ARG 105 9.281 12.901 17.939 851 HH12 ARG 105 2HH1 ARG 105 10.491 12.718 19.137 852 HH21 ARG 105 1HH2 ARG 105 8.252 11.537 21.643 853 HH22 ARG 105 2HH2 ARG 105 9.795 12.243 21.396 854 H ARG 106 H ARG 106 3.428 13.830 16.156 855 HA ARG 106 HA ARG 106 1.680 16.118 16.357 856 HB2 ARG 106 2HB ARG 106 1.586 13.149 16.949 857 HB3 ARG 106 3HB ARG 106 0.396 14.158 17.735 858 HG2 ARG 106 2HG ARG 106 -0.404 13.131 15.667 859 HG3 ARG 106 3HG ARG 106 -0.578 14.875 15.696 860 HD2 ARG 106 2HD ARG 106 1.763 13.520 14.289 861 HD3 ARG 106 3HD ARG 106 0.196 13.661 13.515 862 HE ARG 106 HE ARG 106 2.158 15.719 13.743 863 HH11 ARG 106 1HH1 ARG 106 -1.379 15.236 13.490 864 HH12 ARG 106 2HH1 ARG 106 -1.656 16.887 13.010 865 HH21 ARG 106 1HH2 ARG 106 1.752 17.743 12.839 866 HH22 ARG 106 2HH2 ARG 106 0.114 18.268 12.531 867 HA PRO 107 HA PRO 107 2.562 17.474 20.398 868 HB2 PRO 107 2HB PRO 107 0.137 18.204 21.484 869 HB3 PRO 107 3HB PRO 107 0.945 19.084 20.156 870 HG2 PRO 107 2HG PRO 107 -1.285 17.111 19.940 871 HG3 PRO 107 3HG PRO 107 -1.089 18.655 19.088 872 HD2 PRO 107 2HD PRO 107 -0.437 16.243 17.949 873 HD3 PRO 107 3HD PRO 107 0.444 17.744 17.555 874 H THR 108 H THR 108 3.415 15.864 21.673 875 HA THR 108 HA THR 108 1.913 13.573 22.613 876 HB THR 108 HB THR 108 4.219 13.228 23.786 877 HG1 THR 108 1HG THR 108 5.184 15.154 23.681 878 HG21 THR 108 3HG2 THR 108 3.567 12.043 21.739 879 HG22 THR 108 1HG2 THR 108 5.272 12.510 21.690 880 HG23 THR 108 2HG2 THR 108 4.074 13.425 20.745 881 H ARG 109 H ARG 109 0.951 16.252 23.464 882 HA ARG 109 HA ARG 109 0.876 15.756 26.384 883 HB2 ARG 109 2HB ARG 109 1.111 18.119 26.860 884 HB3 ARG 109 3HB ARG 109 2.556 17.481 26.095 885 HG2 ARG 109 2HG ARG 109 2.033 18.628 24.023 886 HG3 ARG 109 3HG ARG 109 0.398 19.035 24.588 887 HD2 ARG 109 2HD ARG 109 1.332 20.386 26.424 888 HD3 ARG 109 3HD ARG 109 2.970 19.985 25.926 889 HE ARG 109 HE ARG 109 1.050 21.824 24.681 890 HH11 ARG 109 1HH1 ARG 109 4.218 20.258 24.451 891 HH12 ARG 109 2HH1 ARG 109 4.900 21.427 23.373 892 HH21 ARG 109 1HH2 ARG 109 1.987 23.438 23.158 893 HH22 ARG 109 2HH2 ARG 109 3.700 23.373 22.914 894 H SER 110 H SER 110 -1.016 15.760 23.732 895 HA SER 110 HA SER 110 -3.130 17.569 24.572 896 HB2 SER 110 2HB SER 110 -2.719 16.705 22.203 897 HB3 SER 110 3HB SER 110 -3.350 15.138 22.739 898 HG SER 110 HG SER 110 -4.740 17.633 22.850 899 H GLY 111 H GLY 111 -4.587 17.170 26.191 900 HA2 GLY 111 2HA GLY 111 -6.199 15.696 27.184 901 HA3 GLY 111 3HA GLY 111 -5.002 14.402 27.208 902 HA PRO 112 HA PRO 112 -3.971 15.714 31.304 903 HB2 PRO 112 2HB PRO 112 -1.284 15.132 31.552 904 HB3 PRO 112 3HB PRO 112 -2.602 13.926 31.524 905 HG2 PRO 112 2HG PRO 112 -0.830 14.821 29.233 906 HG3 PRO 112 3HG PRO 112 -1.252 13.151 29.723 907 HD2 PRO 112 2HD PRO 112 -2.543 14.445 27.718 908 HD3 PRO 112 3HD PRO 112 -3.427 13.338 28.812 909 H SER 113 H SER 113 -2.593 17.131 32.638 910 HA SER 113 HA SER 113 -1.791 19.113 33.195 911 HB2 SER 113 2HB SER 113 0.098 18.005 31.660 912 HB3 SER 113 3HB SER 113 -0.169 19.477 30.712 913 HG SER 113 HG SER 113 0.611 20.644 32.326 914 H SER 114 H SER 114 -4.226 18.974 31.220 915 HA SER 114 HA SER 114 -4.218 21.620 29.958 916 HB2 SER 114 2HB SER 114 -6.404 19.527 30.360 917 HB3 SER 114 3HB SER 114 -6.532 20.987 29.368 918 HG SER 114 HG SER 114 -5.321 18.588 28.847 919 H GLY 115 H GLY 115 -5.097 20.184 33.036 920 HA2 GLY 115 2HA GLY 115 -5.684 21.230 35.015 921 HA3 GLY 115 3HA GLY 115 -5.691 22.796 34.175 922 H GLU 116 H GLU 116 -7.632 23.050 35.572 923 HA GLU 116 HA GLU 116 -10.114 22.154 34.239 924 HB2 GLU 116 2HB GLU 116 -9.500 22.257 37.226 925 HB3 GLU 116 3HB GLU 116 -11.131 22.127 36.550 926 HG2 GLU 116 2HG GLU 116 -10.543 20.008 35.437 927 HG3 GLU 116 3HG GLU 116 -8.892 20.112 36.058 928 H ASN 117 H ASN 117 -11.905 23.837 35.427 929 HA ASN 117 HA ASN 117 -10.691 26.557 35.494 930 HB2 ASN 117 2HB ASN 117 -12.715 25.559 33.496 931 HB3 ASN 117 3HB ASN 117 -12.928 27.152 34.188 932 HD21 ASN 117 1HD2 ASN 117 -9.588 25.894 33.598 933 HD22 ASN 117 2HD2 ASN 117 -9.336 26.959 32.230 934 H LEU 118 H LEU 118 -10.892 26.207 37.732 935 HA LEU 118 HA LEU 118 -13.582 25.895 38.881 936 HB2 LEU 118 2HB LEU 118 -11.528 24.831 39.815 937 HB3 LEU 118 3HB LEU 118 -10.930 26.435 40.260 938 HG LEU 118 HG LEU 118 -13.575 25.249 41.233 939 HD11 LEU 118 1HD1 LEU 118 -11.679 23.847 41.950 940 HD12 LEU 118 2HD1 LEU 118 -12.393 24.700 43.324 941 HD13 LEU 118 3HD1 LEU 118 -10.861 25.275 42.624 942 HD21 LEU 118 3HD2 LEU 118 -13.588 27.659 41.559 943 HD22 LEU 118 1HD2 LEU 118 -11.942 27.633 42.224 944 HD23 LEU 118 2HD2 LEU 118 -13.299 26.906 43.116 945 H TYR 119 H TYR 119 -14.666 27.644 38.274 946 HA TYR 119 HA TYR 119 -13.512 30.361 38.430 947 HB2 TYR 119 2HB TYR 119 -16.334 29.449 37.738 948 HB3 TYR 119 3HB TYR 119 -15.746 31.099 37.633 949 HD1 TYR 119 2HD TYR 119 -13.143 30.930 36.294 950 HD2 TYR 119 1HD TYR 119 -16.784 28.724 35.557 951 HE1 TYR 119 2HE TYR 119 -12.458 30.584 33.949 952 HE2 TYR 119 1HE TYR 119 -16.111 28.408 33.197 953 HH TYR 119 HH TYR 119 -12.964 28.916 32.058 954 H PHE 120 H PHE 120 -14.401 32.010 39.728 955 HA PHE 120 HA PHE 120 -16.193 31.343 41.923 956 HB2 PHE 120 2HB PHE 120 -14.597 32.510 43.506 957 HB3 PHE 120 3HB PHE 120 -14.184 30.872 43.042 958 HD1 PHE 120 1HD PHE 120 -12.316 30.430 41.389 959 HD2 PHE 120 2HD PHE 120 -13.077 34.341 43.033 960 HE1 PHE 120 1HE PHE 120 -10.080 31.167 40.651 961 HE2 PHE 120 2HE PHE 120 -10.812 35.071 42.335 962 HZ PHE 120 HZ PHE 120 -9.308 33.494 41.127 963 H GLN 121 H GLN 121 -17.781 32.634 41.001 964 HA GLN 121 HA GLN 121 -17.481 35.427 40.908 965 HB2 GLN 121 2HB GLN 121 -18.158 35.708 38.592 966 HB3 GLN 121 3HB GLN 121 -16.611 34.866 38.640 967 HG2 GLN 121 2HG GLN 121 -17.805 32.701 38.197 968 HG3 GLN 121 3HG GLN 121 -19.340 33.576 38.151 969 HE21 GLN 121 1HE2 GLN 121 -16.070 34.152 36.650 970 HE22 GLN 121 2HE2 GLN 121 -16.754 34.303 35.024 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.847 8.837 -3.967 2 HA MET 1 HA MET 1 0.939 9.166 -5.607 3 HB2 MET 1 2HB MET 1 1.021 12.014 -4.518 4 HB3 MET 1 3HB MET 1 2.198 11.295 -5.588 5 HG2 MET 1 2HG MET 1 -0.705 11.813 -6.217 6 HG3 MET 1 3HG MET 1 0.714 12.541 -6.977 7 HE1 MET 1 3HE MET 1 2.383 11.239 -8.585 8 HE2 MET 1 1HE MET 1 2.645 9.884 -7.458 9 HE3 MET 1 2HE MET 1 2.153 9.571 -9.136 10 H ILE 2 H ILE 2 0.466 9.311 -2.178 11 HA ILE 2 HA ILE 2 1.899 9.040 -0.443 12 HB ILE 2 HB ILE 2 2.977 6.886 -2.314 13 HG12 ILE 2 2HG1 ILE 2 0.444 6.826 -0.596 14 HG13 ILE 2 3HG1 ILE 2 0.401 7.034 -2.336 15 HG21 ILE 2 1HG2 ILE 2 3.387 5.601 -0.338 16 HG22 ILE 2 2HG2 ILE 2 3.981 7.217 0.067 17 HG23 ILE 2 3HG2 ILE 2 2.403 6.663 0.651 18 HD11 ILE 2 3HD1 ILE 2 1.544 4.545 -1.063 19 HD12 ILE 2 1HD1 ILE 2 -0.148 4.788 -1.550 20 HD13 ILE 2 2HD1 ILE 2 1.130 4.853 -2.772 21 H VAL 3 H VAL 3 2.852 11.261 -1.472 22 HA VAL 3 HA VAL 3 5.567 11.038 -2.431 23 HB VAL 3 HB VAL 3 4.539 12.911 -3.230 24 HG11 VAL 3 1HG1 VAL 3 3.561 13.536 -0.436 25 HG12 VAL 3 2HG1 VAL 3 3.407 14.632 -1.827 26 HG13 VAL 3 3HG1 VAL 3 2.605 13.065 -1.871 27 HG21 VAL 3 3HG2 VAL 3 5.754 14.854 -2.322 28 HG22 VAL 3 1HG2 VAL 3 6.174 13.963 -0.873 29 HG23 VAL 3 2HG2 VAL 3 6.814 13.426 -2.441 30 H ILE 4 H ILE 4 7.049 10.263 -1.256 31 HA ILE 4 HA ILE 4 7.033 10.565 1.689 32 HB ILE 4 HB ILE 4 8.900 8.935 -0.044 33 HG12 ILE 4 2HG1 ILE 4 6.734 7.987 -0.349 34 HG13 ILE 4 3HG1 ILE 4 7.606 7.008 0.778 35 HG21 ILE 4 1HG2 ILE 4 9.348 7.735 2.129 36 HG22 ILE 4 2HG2 ILE 4 9.974 9.376 2.055 37 HG23 ILE 4 3HG2 ILE 4 8.489 9.038 2.958 38 HD11 ILE 4 3HD1 ILE 4 6.363 8.245 2.674 39 HD12 ILE 4 1HD1 ILE 4 5.324 8.913 1.390 40 HD13 ILE 4 2HD1 ILE 4 5.408 7.166 1.661 41 H SER 5 H SER 5 8.824 11.448 -1.296 42 HA SER 5 HA SER 5 10.103 13.622 0.003 43 HB2 SER 5 2HB SER 5 11.566 11.564 0.598 44 HB3 SER 5 3HB SER 5 11.991 11.506 -1.116 45 HG SER 5 HG SER 5 12.227 13.839 0.507 46 H ARG 6 H ARG 6 11.831 14.477 -1.733 47 HA ARG 6 HA ARG 6 10.534 15.599 -3.842 48 HB2 ARG 6 2HB ARG 6 12.975 15.880 -2.816 49 HB3 ARG 6 3HB ARG 6 13.454 14.856 -4.135 50 HG2 ARG 6 2HG ARG 6 12.378 17.660 -4.160 51 HG3 ARG 6 3HG ARG 6 13.846 17.029 -4.882 52 HD2 ARG 6 2HD ARG 6 12.500 15.902 -6.638 53 HD3 ARG 6 3HD ARG 6 11.012 16.556 -5.915 54 HE ARG 6 HE ARG 6 12.331 18.824 -6.245 55 HH11 ARG 6 1HH1 ARG 6 11.731 16.301 -8.686 56 HH12 ARG 6 2HH1 ARG 6 12.419 17.254 -9.974 57 HH21 ARG 6 1HH2 ARG 6 12.776 20.106 -7.864 58 HH22 ARG 6 2HH2 ARG 6 12.854 19.587 -9.534 59 H HIS 7 H HIS 7 12.605 12.647 -4.182 60 HA HIS 7 HA HIS 7 11.332 12.107 -6.821 61 HB2 HIS 7 2HB HIS 7 13.934 11.030 -5.703 62 HB3 HIS 7 3HB HIS 7 13.353 10.926 -7.364 63 HD1 HIS 7 1HD HIS 7 13.474 13.288 -8.787 64 HD2 HIS 7 2HD HIS 7 15.156 13.196 -4.940 65 HE1 HIS 7 1HE HIS 7 14.830 15.457 -8.533 66 H VAL 8 H VAL 8 10.210 11.328 -4.027 67 HA VAL 8 HA VAL 8 9.952 8.437 -4.643 68 HB VAL 8 HB VAL 8 10.345 9.590 -1.854 69 HG11 VAL 8 1HG1 VAL 8 10.327 7.154 -1.234 70 HG12 VAL 8 2HG1 VAL 8 8.790 7.665 -1.957 71 HG13 VAL 8 3HG1 VAL 8 9.955 6.784 -2.930 72 HG21 VAL 8 3HG2 VAL 8 12.201 7.903 -3.576 73 HG22 VAL 8 1HG2 VAL 8 12.511 9.546 -2.987 74 HG23 VAL 8 2HG2 VAL 8 12.423 8.190 -1.840 75 H ALA 9 H ALA 9 7.961 8.372 -5.372 76 HA ALA 9 HA ALA 9 5.716 9.169 -3.669 77 HB1 ALA 9 1HB ALA 9 6.075 10.441 -6.418 78 HB2 ALA 9 2HB ALA 9 4.666 10.629 -5.353 79 HB3 ALA 9 3HB ALA 9 6.221 11.279 -4.853 80 H ILE 10 H ILE 10 4.560 7.342 -3.693 81 HA ILE 10 HA ILE 10 4.557 5.599 -6.106 82 HB ILE 10 HB ILE 10 3.278 4.931 -3.433 83 HG12 ILE 10 2HG1 ILE 10 6.123 4.213 -4.203 84 HG13 ILE 10 3HG1 ILE 10 5.714 5.480 -3.058 85 HG21 ILE 10 1HG2 ILE 10 3.881 3.501 -6.026 86 HG22 ILE 10 2HG2 ILE 10 4.128 2.555 -4.592 87 HG23 ILE 10 3HG2 ILE 10 2.548 3.297 -4.857 88 HD11 ILE 10 3HD1 ILE 10 6.312 3.388 -1.932 89 HD12 ILE 10 1HD1 ILE 10 4.679 3.950 -1.520 90 HD13 ILE 10 2HD1 ILE 10 4.914 2.587 -2.625 91 HA PRO 11 HA PRO 11 0.775 7.761 -6.984 92 HB2 PRO 11 2HB PRO 11 -0.325 6.114 -8.997 93 HB3 PRO 11 3HB PRO 11 0.764 7.512 -9.199 94 HG2 PRO 11 2HG PRO 11 1.419 4.601 -9.214 95 HG3 PRO 11 3HG PRO 11 2.204 5.929 -10.105 96 HD2 PRO 11 2HD PRO 11 3.304 4.785 -7.839 97 HD3 PRO 11 3HD PRO 11 3.582 6.444 -8.325 98 H ASP 12 H ASP 12 0.722 4.528 -5.954 99 HA ASP 12 HA ASP 12 -0.456 3.566 -4.256 100 HB2 ASP 12 2HB ASP 12 -1.581 5.691 -3.613 101 HB3 ASP 12 3HB ASP 12 -2.838 5.327 -4.798 102 H GLY 13 H GLY 13 -0.656 3.516 -7.430 103 HA2 GLY 13 2HA GLY 13 -2.874 1.567 -7.765 104 HA3 GLY 13 3HA GLY 13 -1.979 2.390 -9.043 105 H GLU 14 H GLU 14 0.660 1.880 -7.957 106 HA GLU 14 HA GLU 14 1.295 -0.641 -9.120 107 HB2 GLU 14 2HB GLU 14 2.900 1.082 -7.228 108 HB3 GLU 14 3HB GLU 14 3.574 -0.180 -8.228 109 HG2 GLU 14 2HG GLU 14 2.129 2.263 -9.397 110 HG3 GLU 14 3HG GLU 14 3.826 2.220 -9.028 111 H LEU 15 H LEU 15 0.005 0.046 -6.106 112 HA LEU 15 HA LEU 15 1.364 -2.037 -4.559 113 HB2 LEU 15 2HB LEU 15 -0.849 -0.139 -3.713 114 HB3 LEU 15 3HB LEU 15 0.299 -1.066 -2.719 115 HG LEU 15 HG LEU 15 1.058 1.241 -4.594 116 HD11 LEU 15 1HD1 LEU 15 1.202 1.362 -1.572 117 HD12 LEU 15 2HD1 LEU 15 -0.057 2.117 -2.570 118 HD13 LEU 15 3HD1 LEU 15 1.636 2.578 -2.738 119 HD21 LEU 15 3HD2 LEU 15 3.265 1.005 -3.295 120 HD22 LEU 15 1HD2 LEU 15 2.897 -0.286 -4.440 121 HD23 LEU 15 2HD2 LEU 15 2.613 -0.526 -2.704 122 H GLU 16 H GLU 16 0.281 -3.720 -3.533 123 HA GLU 16 HA GLU 16 -2.015 -4.767 -5.103 124 HB2 GLU 16 2HB GLU 16 0.120 -6.013 -4.947 125 HB3 GLU 16 3HB GLU 16 -0.087 -6.162 -3.202 126 HG2 GLU 16 2HG GLU 16 -2.252 -7.373 -3.614 127 HG3 GLU 16 3HG GLU 16 -1.962 -7.216 -5.349 128 H ILE 17 H ILE 17 -3.693 -3.687 -4.249 129 HA ILE 17 HA ILE 17 -4.248 -3.703 -1.356 130 HB ILE 17 HB ILE 17 -5.522 -2.280 -3.714 131 HG12 ILE 17 2HG1 ILE 17 -4.067 -0.928 -1.404 132 HG13 ILE 17 3HG1 ILE 17 -3.151 -1.592 -2.760 133 HG21 ILE 17 1HG2 ILE 17 -6.777 -0.936 -2.005 134 HG22 ILE 17 2HG2 ILE 17 -7.245 -2.626 -2.006 135 HG23 ILE 17 3HG2 ILE 17 -6.166 -2.017 -0.742 136 HD11 ILE 17 3HD1 ILE 17 -5.307 0.477 -3.058 137 HD12 ILE 17 1HD1 ILE 17 -3.555 0.722 -3.156 138 HD13 ILE 17 2HD1 ILE 17 -4.365 -0.278 -4.366 139 H THR 18 H THR 18 -5.747 -5.037 -0.515 140 HA THR 18 HA THR 18 -7.764 -6.262 -2.315 141 HB THR 18 HB THR 18 -7.114 -8.355 -0.598 142 HG1 THR 18 1HG THR 18 -5.084 -8.588 -0.374 143 HG21 THR 18 3HG2 THR 18 -6.199 -9.390 -2.660 144 HG22 THR 18 1HG2 THR 18 -6.100 -7.785 -3.413 145 HG23 THR 18 2HG2 THR 18 -7.683 -8.449 -2.958 146 H ALA 19 H ALA 19 -9.607 -7.132 -1.416 147 HA ALA 19 HA ALA 19 -10.347 -5.843 1.087 148 HB1 ALA 19 1HB ALA 19 -11.975 -7.549 -0.851 149 HB2 ALA 19 2HB ALA 19 -12.639 -6.583 0.467 150 HB3 ALA 19 3HB ALA 19 -11.880 -5.770 -0.922 151 H ILE 20 H ILE 20 -10.759 -6.834 2.954 152 HA ILE 20 HA ILE 20 -10.660 -9.781 3.128 153 HB ILE 20 HB ILE 20 -9.295 -9.390 5.238 154 HG12 ILE 20 2HG1 ILE 20 -8.360 -6.851 3.846 155 HG13 ILE 20 3HG1 ILE 20 -9.519 -6.870 5.165 156 HG21 ILE 20 1HG2 ILE 20 -8.469 -10.440 3.092 157 HG22 ILE 20 2HG2 ILE 20 -7.880 -8.858 2.586 158 HG23 ILE 20 3HG2 ILE 20 -7.194 -9.656 4.025 159 HD11 ILE 20 3HD1 ILE 20 -7.834 -7.989 6.632 160 HD12 ILE 20 1HD1 ILE 20 -6.644 -7.837 5.307 161 HD13 ILE 20 2HD1 ILE 20 -7.326 -6.393 6.063 162 H ARG 21 H ARG 21 -11.982 -10.599 4.756 163 HA ARG 21 HA ARG 21 -13.548 -8.725 6.386 164 HB2 ARG 21 2HB ARG 21 -15.668 -9.899 5.683 165 HB3 ARG 21 3HB ARG 21 -15.020 -8.747 4.539 166 HG2 ARG 21 2HG ARG 21 -14.476 -11.731 4.199 167 HG3 ARG 21 3HG ARG 21 -15.979 -11.002 3.668 168 HD2 ARG 21 2HD ARG 21 -15.047 -9.974 1.890 169 HD3 ARG 21 3HD ARG 21 -13.609 -9.502 2.778 170 HE ARG 21 HE ARG 21 -12.484 -11.265 1.882 171 HH11 ARG 21 1HH1 ARG 21 -15.970 -12.077 1.307 172 HH12 ARG 21 2HH1 ARG 21 -15.481 -13.520 0.467 173 HH21 ARG 21 1HH2 ARG 21 -12.059 -13.067 0.769 174 HH22 ARG 21 2HH2 ARG 21 -13.368 -14.104 0.184 175 H ALA 22 H ALA 22 -12.686 -9.558 8.196 176 HA ALA 22 HA ALA 22 -13.256 -12.441 8.786 177 HB1 ALA 22 1HB ALA 22 -10.835 -12.029 8.305 178 HB2 ALA 22 2HB ALA 22 -10.850 -10.795 9.578 179 HB3 ALA 22 3HB ALA 22 -11.120 -12.486 10.005 180 H GLN 23 H GLN 23 -14.572 -12.616 10.544 181 HA GLN 23 HA GLN 23 -15.392 -10.345 12.055 182 HB2 GLN 23 2HB GLN 23 -16.739 -11.794 13.265 183 HB3 GLN 23 3HB GLN 23 -16.673 -12.512 11.673 184 HG2 GLN 23 2HG GLN 23 -15.032 -14.187 12.467 185 HG3 GLN 23 3HG GLN 23 -15.002 -13.430 14.065 186 HE21 GLN 23 1HE2 GLN 23 -16.045 -16.192 12.906 187 HE22 GLN 23 2HE2 GLN 23 -17.604 -16.331 13.691 188 H GLY 24 H GLY 24 -15.129 -10.099 14.534 189 HA2 GLY 24 2HA GLY 24 -12.677 -11.284 15.615 190 HA3 GLY 24 3HA GLY 24 -12.616 -9.539 15.320 191 H ALA 25 H ALA 25 -12.484 -11.089 17.789 192 HA ALA 25 HA ALA 25 -14.894 -10.856 19.348 193 HB1 ALA 25 1HB ALA 25 -13.363 -11.289 21.248 194 HB2 ALA 25 2HB ALA 25 -12.998 -12.387 19.900 195 HB3 ALA 25 3HB ALA 25 -11.958 -10.983 20.209 196 H GLY 26 H GLY 26 -15.550 -9.182 20.753 197 HA2 GLY 26 2HA GLY 26 -13.906 -6.730 20.994 198 HA3 GLY 26 3HA GLY 26 -15.562 -6.622 20.338 199 H GLY 27 H GLY 27 -13.613 -7.372 23.160 200 HA2 GLY 27 2HA GLY 27 -14.042 -7.540 25.387 201 HA3 GLY 27 3HA GLY 27 -15.378 -6.422 25.109 202 H GLN 28 H GLN 28 -17.373 -7.171 25.340 203 HA GLN 28 HA GLN 28 -18.054 -9.642 26.519 204 HB2 GLN 28 2HB GLN 28 -19.150 -7.358 26.703 205 HB3 GLN 28 3HB GLN 28 -19.779 -7.557 25.085 206 HG2 GLN 28 2HG GLN 28 -21.423 -7.962 26.936 207 HG3 GLN 28 3HG GLN 28 -21.299 -9.271 25.786 208 HE21 GLN 28 1HE2 GLN 28 -19.477 -8.308 28.841 209 HE22 GLN 28 2HE2 GLN 28 -19.621 -9.912 29.536 210 H HIS 29 H HIS 29 -20.024 -10.972 25.570 211 HA HIS 29 HA HIS 29 -19.154 -12.247 23.151 212 HB2 HIS 29 2HB HIS 29 -21.630 -12.474 24.911 213 HB3 HIS 29 3HB HIS 29 -21.429 -13.412 23.430 214 HD1 HIS 29 1HD HIS 29 -18.502 -14.335 23.569 215 HD2 HIS 29 2HD HIS 29 -21.117 -14.190 26.869 216 HE1 HIS 29 1HE HIS 29 -17.610 -16.020 25.256 217 H VAL 30 H VAL 30 -19.247 -11.139 21.281 218 HA VAL 30 HA VAL 30 -21.800 -9.954 20.408 219 HB VAL 30 HB VAL 30 -20.549 -8.038 19.460 220 HG11 VAL 30 1HG1 VAL 30 -21.643 -7.817 21.697 221 HG12 VAL 30 2HG1 VAL 30 -20.079 -8.170 22.459 222 HG13 VAL 30 3HG1 VAL 30 -20.266 -6.721 21.460 223 HG21 VAL 30 3HG2 VAL 30 -18.130 -8.971 21.037 224 HG22 VAL 30 1HG2 VAL 30 -18.294 -9.029 19.278 225 HG23 VAL 30 2HG2 VAL 30 -18.280 -7.469 20.118 226 H ASN 31 H ASN 31 -21.849 -9.699 17.988 227 HA ASN 31 HA ASN 31 -19.802 -10.944 16.454 228 HB2 ASN 31 2HB ASN 31 -20.865 -12.767 15.555 229 HB3 ASN 31 3HB ASN 31 -21.098 -12.957 17.290 230 HD21 ASN 31 1HD2 ASN 31 -23.294 -12.594 18.153 231 HD22 ASN 31 2HD2 ASN 31 -24.673 -12.608 17.054 232 H LYS 32 H LYS 32 -19.712 -9.948 14.617 233 HA LYS 32 HA LYS 32 -21.977 -8.837 13.178 234 HB2 LYS 32 2HB LYS 32 -19.876 -7.121 14.573 235 HB3 LYS 32 3HB LYS 32 -20.512 -6.628 13.007 236 HG2 LYS 32 2HG LYS 32 -22.828 -6.689 13.906 237 HG3 LYS 32 3HG LYS 32 -22.186 -7.103 15.499 238 HD2 LYS 32 2HD LYS 32 -22.737 -4.757 15.379 239 HD3 LYS 32 3HD LYS 32 -21.008 -4.968 15.642 240 HE2 LYS 32 2HE LYS 32 -21.748 -4.773 12.767 241 HE3 LYS 32 3HE LYS 32 -22.273 -3.371 13.702 242 HZ1 LYS 32 3HZ LYS 32 -20.017 -3.093 14.489 243 HZ2 LYS 32 1HZ LYS 32 -20.091 -3.006 12.869 244 HZ3 LYS 32 2HZ LYS 32 -19.467 -4.351 13.594 245 H THR 33 H THR 33 -21.150 -8.003 11.057 246 HA THR 33 HA THR 33 -19.263 -9.820 9.887 247 HB THR 33 HB THR 33 -19.806 -8.449 7.852 248 HG1 THR 33 1HG THR 33 -20.253 -6.492 8.274 249 HG21 THR 33 3HG2 THR 33 -22.237 -8.827 7.771 250 HG22 THR 33 1HG2 THR 33 -22.282 -9.148 9.509 251 HG23 THR 33 2HG2 THR 33 -21.377 -10.232 8.426 252 H SER 34 H SER 34 -17.598 -8.381 8.213 253 HA SER 34 HA SER 34 -16.322 -6.227 9.713 254 HB2 SER 34 2HB SER 34 -14.976 -8.913 9.222 255 HB3 SER 34 3HB SER 34 -14.078 -7.428 9.564 256 HG SER 34 HG SER 34 -16.244 -7.823 11.237 257 H THR 35 H THR 35 -14.996 -4.982 8.458 258 HA THR 35 HA THR 35 -14.877 -5.482 5.547 259 HB THR 35 HB THR 35 -15.666 -2.729 6.385 260 HG1 THR 35 1HG THR 35 -17.781 -3.087 6.606 261 HG21 THR 35 3HG2 THR 35 -15.388 -3.474 4.058 262 HG22 THR 35 1HG2 THR 35 -17.041 -2.876 4.359 263 HG23 THR 35 2HG2 THR 35 -16.712 -4.631 4.266 264 H ALA 36 H ALA 36 -12.608 -5.622 5.503 265 HA ALA 36 HA ALA 36 -11.132 -3.279 6.571 266 HB1 ALA 36 1HB ALA 36 -9.443 -4.912 7.434 267 HB2 ALA 36 2HB ALA 36 -11.043 -5.194 8.184 268 HB3 ALA 36 3HB ALA 36 -10.484 -6.259 6.922 269 H ILE 37 H ILE 37 -8.784 -3.421 5.742 270 HA ILE 37 HA ILE 37 -8.730 -4.411 2.935 271 HB ILE 37 HB ILE 37 -8.152 -1.611 3.934 272 HG12 ILE 37 2HG1 ILE 37 -10.436 -1.999 3.039 273 HG13 ILE 37 3HG1 ILE 37 -9.501 -0.877 2.070 274 HG21 ILE 37 1HG2 ILE 37 -7.195 -1.134 1.622 275 HG22 ILE 37 2HG2 ILE 37 -6.150 -2.046 2.714 276 HG23 ILE 37 3HG2 ILE 37 -7.029 -2.876 1.407 277 HD11 ILE 37 3HD1 ILE 37 -10.169 -3.755 1.382 278 HD12 ILE 37 1HD1 ILE 37 -10.734 -2.280 0.580 279 HD13 ILE 37 2HD1 ILE 37 -9.050 -2.763 0.424 280 H HIS 38 H HIS 38 -6.883 -5.075 2.220 281 HA HIS 38 HA HIS 38 -4.641 -5.541 4.096 282 HB2 HIS 38 2HB HIS 38 -6.014 -7.499 3.134 283 HB3 HIS 38 3HB HIS 38 -5.459 -7.020 1.539 284 HD1 HIS 38 1HD HIS 38 -2.786 -7.633 1.011 285 HD2 HIS 38 2HD HIS 38 -4.303 -8.473 4.866 286 HE1 HIS 38 1HE HIS 38 -1.027 -9.056 2.201 287 H LEU 39 H LEU 39 -2.944 -4.249 3.592 288 HA LEU 39 HA LEU 39 -2.678 -3.140 0.813 289 HB2 LEU 39 2HB LEU 39 -3.262 -1.430 2.348 290 HB3 LEU 39 3HB LEU 39 -2.102 -1.949 3.561 291 HG LEU 39 HG LEU 39 -1.299 -0.881 0.849 292 HD11 LEU 39 1HD1 LEU 39 -2.524 0.884 1.949 293 HD12 LEU 39 2HD1 LEU 39 -0.806 1.263 1.910 294 HD13 LEU 39 3HD1 LEU 39 -1.504 0.677 3.421 295 HD21 LEU 39 3HD2 LEU 39 0.172 -1.374 3.450 296 HD22 LEU 39 1HD2 LEU 39 0.806 -0.237 2.246 297 HD23 LEU 39 2HD2 LEU 39 0.608 -1.924 1.801 298 H ARG 40 H ARG 40 -0.914 -3.908 -0.237 299 HA ARG 40 HA ARG 40 1.384 -4.992 1.311 300 HB2 ARG 40 2HB ARG 40 0.030 -6.943 0.674 301 HB3 ARG 40 3HB ARG 40 -0.020 -6.366 -0.998 302 HG2 ARG 40 2HG ARG 40 2.486 -6.549 -1.093 303 HG3 ARG 40 3HG ARG 40 2.427 -7.308 0.502 304 HD2 ARG 40 2HD ARG 40 1.327 -9.224 -0.355 305 HD3 ARG 40 3HD ARG 40 0.839 -8.391 -1.842 306 HE ARG 40 HE ARG 40 3.260 -8.219 -2.438 307 HH11 ARG 40 1HH1 ARG 40 2.241 -11.007 -0.428 308 HH12 ARG 40 2HH1 ARG 40 3.316 -12.081 -1.287 309 HH21 ARG 40 1HH2 ARG 40 5.019 -9.459 -2.964 310 HH22 ARG 40 2HH2 ARG 40 5.163 -11.109 -2.422 311 H PHE 41 H PHE 41 3.134 -3.907 0.658 312 HA PHE 41 HA PHE 41 3.302 -2.799 -2.102 313 HB2 PHE 41 2HB PHE 41 3.250 -1.069 -0.402 314 HB3 PHE 41 3HB PHE 41 4.475 -1.894 0.550 315 HD1 PHE 41 2HD PHE 41 4.596 -1.352 -3.190 316 HD2 PHE 41 1HD PHE 41 6.020 -0.116 0.687 317 HE1 PHE 41 2HE PHE 41 6.190 0.135 -4.282 318 HE2 PHE 41 1HE PHE 41 7.730 1.317 -0.417 319 HZ PHE 41 HZ PHE 41 7.802 1.444 -2.932 320 H ASP 42 H ASP 42 4.805 -3.764 -3.362 321 HA ASP 42 HA ASP 42 6.866 -5.532 -2.181 322 HB2 ASP 42 2HB ASP 42 5.475 -5.370 -4.870 323 HB3 ASP 42 3HB ASP 42 7.022 -6.201 -4.679 324 H ILE 43 H ILE 43 8.593 -4.296 -1.696 325 HA ILE 43 HA ILE 43 9.336 -1.924 -3.098 326 HB ILE 43 HB ILE 43 10.990 -3.692 -1.269 327 HG12 ILE 43 2HG1 ILE 43 10.412 -1.355 0.113 328 HG13 ILE 43 3HG1 ILE 43 8.903 -1.584 -0.756 329 HG21 ILE 43 1HG2 ILE 43 11.464 -0.806 -2.062 330 HG22 ILE 43 2HG2 ILE 43 12.437 -1.794 -0.937 331 HG23 ILE 43 3HG2 ILE 43 12.381 -2.172 -2.664 332 HD11 ILE 43 3HD1 ILE 43 9.289 -2.601 1.619 333 HD12 ILE 43 1HD1 ILE 43 8.503 -3.638 0.383 334 HD13 ILE 43 2HD1 ILE 43 10.229 -3.829 0.789 335 H ARG 44 H ARG 44 10.482 -5.354 -3.467 336 HA ARG 44 HA ARG 44 12.725 -4.679 -5.151 337 HB2 ARG 44 2HB ARG 44 10.935 -7.152 -5.130 338 HB3 ARG 44 3HB ARG 44 12.342 -7.011 -6.147 339 HG2 ARG 44 2HG ARG 44 12.499 -6.699 -3.112 340 HG3 ARG 44 3HG ARG 44 12.650 -8.253 -3.909 341 HD2 ARG 44 2HD ARG 44 14.462 -5.873 -4.459 342 HD3 ARG 44 3HD ARG 44 14.854 -7.237 -3.411 343 HE ARG 44 HE ARG 44 14.844 -7.119 -6.321 344 HH11 ARG 44 1HH1 ARG 44 14.654 -9.359 -3.544 345 HH12 ARG 44 2HH1 ARG 44 15.438 -10.654 -4.348 346 HH21 ARG 44 1HH2 ARG 44 15.833 -8.892 -7.430 347 HH22 ARG 44 2HH2 ARG 44 16.144 -10.373 -6.595 348 H ALA 45 H ALA 45 9.361 -5.138 -5.779 349 HA ALA 45 HA ALA 45 9.490 -4.697 -8.677 350 HB1 ALA 45 1HB ALA 45 7.979 -6.395 -7.570 351 HB2 ALA 45 2HB ALA 45 7.096 -5.049 -6.817 352 HB3 ALA 45 3HB ALA 45 7.114 -5.223 -8.579 353 H SER 46 H SER 46 10.004 -2.471 -6.410 354 HA SER 46 HA SER 46 7.913 -0.625 -7.347 355 HB2 SER 46 2HB SER 46 8.355 0.673 -5.408 356 HB3 SER 46 3HB SER 46 8.275 -1.001 -4.903 357 HG SER 46 HG SER 46 10.517 -1.067 -4.843 358 H SER 47 H SER 47 8.527 1.658 -7.602 359 HA SER 47 HA SER 47 10.733 1.965 -9.517 360 HB2 SER 47 2HB SER 47 8.273 2.763 -9.783 361 HB3 SER 47 3HB SER 47 8.661 4.001 -8.582 362 HG SER 47 HG SER 47 10.556 4.293 -10.186 363 H LEU 48 H LEU 48 10.554 1.995 -6.213 364 HA LEU 48 HA LEU 48 11.567 4.443 -5.344 365 HB2 LEU 48 2HB LEU 48 11.950 1.580 -4.326 366 HB3 LEU 48 3HB LEU 48 12.503 2.956 -3.421 367 HG LEU 48 HG LEU 48 9.596 2.396 -4.125 368 HD11 LEU 48 1HD1 LEU 48 9.478 2.239 -1.567 369 HD12 LEU 48 2HD1 LEU 48 11.255 2.157 -1.576 370 HD13 LEU 48 3HD1 LEU 48 10.273 0.913 -2.401 371 HD21 LEU 48 3HD2 LEU 48 10.796 4.626 -2.440 372 HD22 LEU 48 1HD2 LEU 48 9.070 4.257 -2.652 373 HD23 LEU 48 2HD2 LEU 48 9.993 4.810 -4.024 374 HA PRO 49 HA PRO 49 15.864 4.498 -6.385 375 HB2 PRO 49 2HB PRO 49 16.950 5.807 -4.180 376 HB3 PRO 49 3HB PRO 49 15.956 6.602 -5.430 377 HG2 PRO 49 2HG PRO 49 15.112 5.621 -2.731 378 HG3 PRO 49 3HG PRO 49 14.724 7.182 -3.502 379 HD2 PRO 49 2HD PRO 49 13.008 5.063 -3.491 380 HD3 PRO 49 3HD PRO 49 13.053 6.175 -4.875 381 H GLU 50 H GLU 50 17.928 3.448 -5.819 382 HA GLU 50 HA GLU 50 17.746 0.995 -4.549 383 HB2 GLU 50 2HB GLU 50 20.234 1.008 -4.489 384 HB3 GLU 50 3HB GLU 50 19.565 1.354 -6.063 385 HG2 GLU 50 2HG GLU 50 20.391 3.674 -4.267 386 HG3 GLU 50 3HG GLU 50 21.612 2.695 -5.051 387 H TYR 51 H TYR 51 18.728 4.099 -3.113 388 HA TYR 51 HA TYR 51 19.725 3.166 -0.654 389 HB2 TYR 51 2HB TYR 51 19.901 5.490 -1.471 390 HB3 TYR 51 3HB TYR 51 18.175 5.727 -1.266 391 HD1 TYR 51 2HD TYR 51 17.223 5.486 1.224 392 HD2 TYR 51 1HD TYR 51 21.400 5.996 0.257 393 HE1 TYR 51 2HE TYR 51 17.669 6.231 3.536 394 HE2 TYR 51 1HE TYR 51 21.835 6.758 2.571 395 HH TYR 51 HH TYR 51 20.879 7.073 4.809 396 H TYR 52 H TYR 52 16.381 4.126 -1.563 397 HA TYR 52 HA TYR 52 15.291 3.311 0.974 398 HB2 TYR 52 2HB TYR 52 13.952 3.852 -1.711 399 HB3 TYR 52 3HB TYR 52 13.085 3.278 -0.318 400 HD1 TYR 52 2HD TYR 52 15.770 5.999 -0.448 401 HD2 TYR 52 1HD TYR 52 11.604 5.012 0.204 402 HE1 TYR 52 2HE TYR 52 15.421 8.162 0.591 403 HE2 TYR 52 1HE TYR 52 11.249 7.221 1.186 404 HH TYR 52 HH TYR 52 13.903 9.291 2.105 405 H LYS 53 H LYS 53 15.711 1.604 -2.214 406 HA LYS 53 HA LYS 53 14.188 -0.648 -1.450 407 HB2 LYS 53 2HB LYS 53 16.590 -0.553 -3.323 408 HB3 LYS 53 3HB LYS 53 15.568 -1.956 -3.062 409 HG2 LYS 53 2HG LYS 53 13.623 -0.160 -3.651 410 HG3 LYS 53 3HG LYS 53 14.961 0.580 -4.537 411 HD2 LYS 53 2HD LYS 53 15.360 -1.579 -5.701 412 HD3 LYS 53 3HD LYS 53 13.983 -2.300 -4.843 413 HE2 LYS 53 2HE LYS 53 12.436 -0.686 -5.843 414 HE3 LYS 53 3HE LYS 53 13.786 0.177 -6.598 415 HZ1 LYS 53 3HZ LYS 53 12.972 -2.594 -7.284 416 HZ2 LYS 53 1HZ LYS 53 14.215 -1.711 -7.967 417 HZ3 LYS 53 2HZ LYS 53 12.671 -1.225 -8.146 418 H GLU 54 H GLU 54 17.740 -0.134 -0.992 419 HA GLU 54 HA GLU 54 17.981 -2.622 0.438 420 HB2 GLU 54 2HB GLU 54 19.804 -0.179 0.586 421 HB3 GLU 54 3HB GLU 54 20.134 -1.781 1.242 422 HG2 GLU 54 2HG GLU 54 19.533 -2.543 -1.264 423 HG3 GLU 54 3HG GLU 54 20.093 -0.907 -1.628 424 H ARG 55 H ARG 55 17.282 0.704 1.479 425 HA ARG 55 HA ARG 55 17.576 0.269 4.299 426 HB2 ARG 55 2HB ARG 55 16.227 2.331 2.619 427 HB3 ARG 55 3HB ARG 55 15.452 2.064 4.156 428 HG2 ARG 55 2HG ARG 55 17.084 3.916 4.225 429 HG3 ARG 55 3HG ARG 55 17.368 2.647 5.398 430 HD2 ARG 55 2HD ARG 55 19.006 1.712 3.529 431 HD3 ARG 55 3HD ARG 55 18.922 3.350 2.904 432 HE ARG 55 HE ARG 55 20.351 4.006 4.535 433 HH11 ARG 55 1HH1 ARG 55 18.681 1.154 6.004 434 HH12 ARG 55 2HH1 ARG 55 19.927 0.911 7.152 435 HH21 ARG 55 1HH2 ARG 55 21.609 3.932 6.339 436 HH22 ARG 55 2HH2 ARG 55 21.397 2.732 7.583 437 H LEU 56 H LEU 56 14.643 0.069 2.270 438 HA LEU 56 HA LEU 56 13.017 -0.866 4.414 439 HB2 LEU 56 2HB LEU 56 12.678 -1.122 1.410 440 HB3 LEU 56 3HB LEU 56 11.409 -1.388 2.610 441 HG LEU 56 HG LEU 56 12.897 1.267 2.228 442 HD11 LEU 56 1HD1 LEU 56 10.076 0.638 1.354 443 HD12 LEU 56 2HD1 LEU 56 11.513 0.667 0.284 444 HD13 LEU 56 3HD1 LEU 56 11.038 2.132 1.139 445 HD21 LEU 56 3HD2 LEU 56 10.539 0.611 3.974 446 HD22 LEU 56 1HD2 LEU 56 11.128 2.240 3.554 447 HD23 LEU 56 2HD2 LEU 56 12.182 1.159 4.447 448 H LEU 57 H LEU 57 14.864 -2.617 1.817 449 HA LEU 57 HA LEU 57 13.920 -5.168 2.510 450 HB2 LEU 57 2HB LEU 57 16.469 -4.127 1.260 451 HB3 LEU 57 3HB LEU 57 16.376 -5.817 1.689 452 HG LEU 57 HG LEU 57 14.286 -4.571 -0.095 453 HD11 LEU 57 1HD1 LEU 57 16.429 -4.244 -1.198 454 HD12 LEU 57 2HD1 LEU 57 15.660 -5.672 -1.952 455 HD13 LEU 57 3HD1 LEU 57 16.960 -5.885 -0.775 456 HD21 LEU 57 3HD2 LEU 57 13.800 -6.798 1.016 457 HD22 LEU 57 1HD2 LEU 57 15.241 -7.450 0.243 458 HD23 LEU 57 2HD2 LEU 57 13.880 -6.886 -0.757 459 H ALA 58 H ALA 58 16.694 -3.335 3.848 460 HA ALA 58 HA ALA 58 17.573 -5.501 5.575 461 HB1 ALA 58 1HB ALA 58 18.242 -2.512 5.445 462 HB2 ALA 58 2HB ALA 58 19.102 -3.712 6.424 463 HB3 ALA 58 3HB ALA 58 19.141 -3.821 4.652 464 H ALA 59 H ALA 59 14.991 -3.302 5.748 465 HA ALA 59 HA ALA 59 15.129 -2.565 8.482 466 HB1 ALA 59 1HB ALA 59 13.854 -1.464 6.509 467 HB2 ALA 59 2HB ALA 59 12.559 -2.605 6.924 468 HB3 ALA 59 3HB ALA 59 13.213 -1.469 8.143 469 H SER 60 H SER 60 15.076 -3.948 10.029 470 HA SER 60 HA SER 60 13.632 -6.463 9.899 471 HB2 SER 60 2HB SER 60 15.903 -5.972 10.936 472 HB3 SER 60 3HB SER 60 15.048 -5.101 12.217 473 HG SER 60 HG SER 60 14.032 -6.981 12.794 474 H HIS 61 H HIS 61 11.415 -5.941 9.759 475 HA HIS 61 HA HIS 61 10.196 -4.670 12.138 476 HB2 HIS 61 2HB HIS 61 10.276 -3.232 9.835 477 HB3 HIS 61 3HB HIS 61 9.028 -4.333 9.381 478 HD1 HIS 61 1HD HIS 61 8.004 -3.964 12.815 479 HD2 HIS 61 2HD HIS 61 8.389 -1.333 9.539 480 HE1 HIS 61 1HE HIS 61 6.216 -2.195 13.074 481 H HIS 62 H HIS 62 8.445 -6.008 12.870 482 HA HIS 62 HA HIS 62 8.114 -8.570 11.723 483 HB2 HIS 62 2HB HIS 62 6.317 -8.925 13.210 484 HB3 HIS 62 3HB HIS 62 7.516 -8.012 14.084 485 HD1 HIS 62 1HD HIS 62 6.812 -5.309 14.538 486 HD2 HIS 62 2HD HIS 62 3.892 -7.996 13.096 487 HE1 HIS 62 1HE HIS 62 4.548 -4.186 14.895 488 H LEU 63 H LEU 63 6.623 -5.517 10.884 489 HA LEU 63 HA LEU 63 4.390 -6.670 9.421 490 HB2 LEU 63 2HB LEU 63 5.583 -3.877 9.612 491 HB3 LEU 63 3HB LEU 63 4.156 -4.265 8.639 492 HG LEU 63 HG LEU 63 4.412 -4.460 11.665 493 HD11 LEU 63 1HD1 LEU 63 2.727 -2.653 11.661 494 HD12 LEU 63 2HD1 LEU 63 2.747 -2.616 9.885 495 HD13 LEU 63 3HD1 LEU 63 4.194 -2.159 10.814 496 HD21 LEU 63 3HD2 LEU 63 1.944 -4.931 11.606 497 HD22 LEU 63 1HD2 LEU 63 2.915 -6.247 10.961 498 HD23 LEU 63 2HD2 LEU 63 2.069 -5.135 9.842 499 H ILE 64 H ILE 64 7.777 -6.435 8.697 500 HA ILE 64 HA ILE 64 7.188 -6.420 5.799 501 HB ILE 64 HB ILE 64 9.667 -5.644 7.392 502 HG12 ILE 64 2HG1 ILE 64 7.616 -3.971 5.889 503 HG13 ILE 64 3HG1 ILE 64 7.772 -4.015 7.622 504 HG21 ILE 64 1HG2 ILE 64 9.153 -5.323 4.397 505 HG22 ILE 64 2HG2 ILE 64 10.611 -4.863 5.316 506 HG23 ILE 64 3HG2 ILE 64 10.225 -6.540 5.130 507 HD11 ILE 64 3HD1 ILE 64 10.123 -3.173 7.394 508 HD12 ILE 64 1HD1 ILE 64 9.772 -2.852 5.672 509 HD13 ILE 64 2HD1 ILE 64 8.796 -2.076 6.937 510 H SER 65 H SER 65 7.937 -7.997 4.541 511 HA SER 65 HA SER 65 8.936 -10.514 5.704 512 HB2 SER 65 2HB SER 65 7.108 -10.515 4.026 513 HB3 SER 65 3HB SER 65 8.142 -9.638 2.884 514 HG SER 65 HG SER 65 8.062 -11.925 2.520 515 H SER 66 H SER 66 10.994 -11.387 5.087 516 HA SER 66 HA SER 66 13.173 -9.672 4.605 517 HB2 SER 66 2HB SER 66 13.042 -12.041 5.608 518 HB3 SER 66 3HB SER 66 13.070 -12.643 3.949 519 HG SER 66 HG SER 66 15.116 -11.915 3.705 520 H ASP 67 H ASP 67 10.910 -11.094 2.394 521 HA ASP 67 HA ASP 67 12.432 -11.019 -0.058 522 HB2 ASP 67 2HB ASP 67 9.441 -11.045 0.496 523 HB3 ASP 67 3HB ASP 67 10.161 -11.309 -1.089 524 H GLY 68 H GLY 68 11.223 -8.537 1.886 525 HA2 GLY 68 2HA GLY 68 11.381 -6.295 1.532 526 HA3 GLY 68 3HA GLY 68 11.666 -6.527 -0.196 527 H VAL 69 H VAL 69 9.032 -7.323 2.150 528 HA VAL 69 HA VAL 69 7.145 -5.938 0.348 529 HB VAL 69 HB VAL 69 6.578 -8.662 1.586 530 HG11 VAL 69 1HG1 VAL 69 5.084 -7.141 -0.584 531 HG12 VAL 69 2HG1 VAL 69 4.611 -8.660 0.213 532 HG13 VAL 69 3HG1 VAL 69 4.627 -7.152 1.125 533 HG21 VAL 69 3HG2 VAL 69 8.266 -9.083 -0.113 534 HG22 VAL 69 1HG2 VAL 69 6.697 -9.592 -0.725 535 HG23 VAL 69 2HG2 VAL 69 7.406 -8.058 -1.271 536 H ILE 70 H ILE 70 5.921 -4.560 1.577 537 HA ILE 70 HA ILE 70 5.935 -4.835 4.553 538 HB ILE 70 HB ILE 70 4.961 -2.449 2.927 539 HG12 ILE 70 2HG1 ILE 70 7.796 -3.076 3.788 540 HG13 ILE 70 3HG1 ILE 70 7.160 -2.638 2.200 541 HG21 ILE 70 1HG2 ILE 70 6.014 -2.529 5.782 542 HG22 ILE 70 2HG2 ILE 70 5.147 -1.214 4.969 543 HG23 ILE 70 3HG2 ILE 70 4.300 -2.689 5.386 544 HD11 ILE 70 3HD1 ILE 70 8.416 -0.782 3.062 545 HD12 ILE 70 1HD1 ILE 70 6.704 -0.332 3.032 546 HD13 ILE 70 2HD1 ILE 70 7.490 -0.764 4.570 547 H VAL 71 H VAL 71 3.952 -5.342 5.604 548 HA VAL 71 HA VAL 71 1.487 -5.503 3.918 549 HB VAL 71 HB VAL 71 2.459 -7.416 6.004 550 HG11 VAL 71 1HG1 VAL 71 0.020 -7.461 5.798 551 HG12 VAL 71 2HG1 VAL 71 0.192 -7.754 4.044 552 HG13 VAL 71 3HG1 VAL 71 0.736 -8.966 5.208 553 HG21 VAL 71 3HG2 VAL 71 3.930 -7.687 4.043 554 HG22 VAL 71 1HG2 VAL 71 2.814 -9.046 4.099 555 HG23 VAL 71 2HG2 VAL 71 2.520 -7.718 2.964 556 H ILE 72 H ILE 72 0.079 -4.100 4.718 557 HA ILE 72 HA ILE 72 -0.238 -3.601 7.664 558 HB ILE 72 HB ILE 72 -0.691 -1.659 5.411 559 HG12 ILE 72 2HG1 ILE 72 1.408 -1.466 7.625 560 HG13 ILE 72 3HG1 ILE 72 1.763 -2.156 6.059 561 HG21 ILE 72 1HG2 ILE 72 -0.914 -1.164 8.413 562 HG22 ILE 72 2HG2 ILE 72 -1.100 0.039 7.130 563 HG23 ILE 72 3HG2 ILE 72 -2.281 -1.241 7.272 564 HD11 ILE 72 3HD1 ILE 72 1.078 0.689 6.690 565 HD12 ILE 72 1HD1 ILE 72 2.407 -0.000 5.703 566 HD13 ILE 72 2HD1 ILE 72 0.761 0.043 5.071 567 H LYS 73 H LYS 73 -2.186 -3.965 8.464 568 HA LYS 73 HA LYS 73 -4.500 -4.353 6.594 569 HB2 LYS 73 2HB LYS 73 -4.021 -5.711 9.273 570 HB3 LYS 73 3HB LYS 73 -5.419 -5.935 8.211 571 HG2 LYS 73 2HG LYS 73 -3.846 -6.700 6.396 572 HG3 LYS 73 3HG LYS 73 -2.511 -6.576 7.542 573 HD2 LYS 73 2HD LYS 73 -3.770 -8.266 9.009 574 HD3 LYS 73 3HD LYS 73 -4.837 -8.526 7.597 575 HE2 LYS 73 2HE LYS 73 -2.736 -8.941 6.223 576 HE3 LYS 73 3HE LYS 73 -1.785 -8.854 7.689 577 HZ1 LYS 73 3HZ LYS 73 -2.304 -11.089 7.014 578 HZ2 LYS 73 1HZ LYS 73 -3.913 -10.846 7.146 579 HZ3 LYS 73 2HZ LYS 73 -2.973 -10.834 8.493 580 H ALA 74 H ALA 74 -5.535 -2.454 6.555 581 HA ALA 74 HA ALA 74 -5.844 -0.837 9.029 582 HB1 ALA 74 1HB ALA 74 -5.169 0.369 7.011 583 HB2 ALA 74 2HB ALA 74 -6.598 -0.254 6.144 584 HB3 ALA 74 3HB ALA 74 -6.796 0.871 7.491 585 H GLN 75 H GLN 75 -7.680 -0.854 10.155 586 HA GLN 75 HA GLN 75 -10.239 -1.592 8.972 587 HB2 GLN 75 2HB GLN 75 -10.315 -3.372 11.053 588 HB3 GLN 75 3HB GLN 75 -10.032 -3.755 9.383 589 HG2 GLN 75 2HG GLN 75 -7.556 -3.777 9.776 590 HG3 GLN 75 3HG GLN 75 -7.858 -3.419 11.480 591 HE21 GLN 75 1HE2 GLN 75 -8.061 -5.790 8.887 592 HE22 GLN 75 2HE2 GLN 75 -8.539 -7.149 9.865 593 H GLU 76 H GLU 76 -11.458 0.034 9.779 594 HA GLU 76 HA GLU 76 -11.842 0.323 12.674 595 HB2 GLU 76 2HB GLU 76 -10.962 2.719 11.024 596 HB3 GLU 76 3HB GLU 76 -11.560 2.762 12.673 597 HG2 GLU 76 2HG GLU 76 -8.938 1.616 11.726 598 HG3 GLU 76 3HG GLU 76 -9.190 3.116 12.603 599 H TYR 77 H TYR 77 -12.506 1.378 9.275 600 HA TYR 77 HA TYR 77 -15.092 2.472 10.032 601 HB2 TYR 77 2HB TYR 77 -13.779 2.021 7.325 602 HB3 TYR 77 3HB TYR 77 -15.263 2.915 7.607 603 HD1 TYR 77 2HD TYR 77 -15.236 5.161 8.666 604 HD2 TYR 77 1HD TYR 77 -11.597 2.976 7.849 605 HE1 TYR 77 2HE TYR 77 -13.940 7.262 8.811 606 HE2 TYR 77 1HE TYR 77 -10.318 5.044 8.004 607 HH TYR 77 HH TYR 77 -10.577 7.424 7.790 608 H ARG 78 H ARG 78 -17.008 1.873 9.112 609 HA ARG 78 HA ARG 78 -17.541 -0.942 8.990 610 HB2 ARG 78 2HB ARG 78 -19.814 -0.381 8.827 611 HB3 ARG 78 3HB ARG 78 -19.117 0.788 9.924 612 HG2 ARG 78 2HG ARG 78 -19.775 1.322 6.979 613 HG3 ARG 78 3HG ARG 78 -20.835 1.690 8.330 614 HD2 ARG 78 2HD ARG 78 -19.345 3.327 9.225 615 HD3 ARG 78 3HD ARG 78 -18.066 2.890 8.074 616 HE ARG 78 HE ARG 78 -20.341 3.679 6.597 617 HH11 ARG 78 1HH1 ARG 78 -17.796 5.044 8.687 618 HH12 ARG 78 2HH1 ARG 78 -17.653 6.514 7.789 619 HH21 ARG 78 1HH2 ARG 78 -20.408 5.769 5.655 620 HH22 ARG 78 2HH2 ARG 78 -19.180 6.938 6.013 621 H SER 79 H SER 79 -16.532 1.309 6.508 622 HA SER 79 HA SER 79 -17.742 -0.240 4.328 623 HB2 SER 79 2HB SER 79 -16.003 2.256 4.250 624 HB3 SER 79 3HB SER 79 -17.056 1.632 2.974 625 HG SER 79 HG SER 79 -17.947 3.370 3.935 626 H GLN 80 H GLN 80 -15.858 -0.014 2.401 627 HA GLN 80 HA GLN 80 -13.397 -1.314 3.492 628 HB2 GLN 80 2HB GLN 80 -15.302 -2.565 2.006 629 HB3 GLN 80 3HB GLN 80 -14.348 -1.909 0.696 630 HG2 GLN 80 2HG GLN 80 -12.677 -3.420 1.016 631 HG3 GLN 80 3HG GLN 80 -12.689 -3.210 2.772 632 HE21 GLN 80 1HE2 GLN 80 -12.544 -5.351 3.323 633 HE22 GLN 80 2HE2 GLN 80 -13.829 -6.505 3.074 634 H GLU 81 H GLU 81 -14.730 1.244 1.680 635 HA GLU 81 HA GLU 81 -12.469 1.895 0.008 636 HB2 GLU 81 2HB GLU 81 -14.872 2.035 -0.518 637 HB3 GLU 81 3HB GLU 81 -15.091 3.316 0.664 638 HG2 GLU 81 2HG GLU 81 -13.981 4.906 -0.621 639 HG3 GLU 81 3HG GLU 81 -12.966 3.712 -1.421 640 H LEU 82 H LEU 82 -13.343 2.528 3.234 641 HA LEU 82 HA LEU 82 -11.886 5.144 3.343 642 HB2 LEU 82 2HB LEU 82 -13.446 3.671 5.483 643 HB3 LEU 82 3HB LEU 82 -12.856 5.343 5.565 644 HG LEU 82 HG LEU 82 -14.955 4.286 3.611 645 HD11 LEU 82 1HD1 LEU 82 -15.834 4.292 5.849 646 HD12 LEU 82 2HD1 LEU 82 -16.535 5.638 4.949 647 HD13 LEU 82 3HD1 LEU 82 -15.228 5.937 6.116 648 HD21 LEU 82 3HD2 LEU 82 -15.335 6.626 3.029 649 HD22 LEU 82 1HD2 LEU 82 -13.675 6.179 2.651 650 HD23 LEU 82 2HD2 LEU 82 -14.013 7.135 4.109 651 H ASN 83 H ASN 83 -11.589 1.799 4.346 652 HA ASN 83 HA ASN 83 -9.519 2.118 6.264 653 HB2 ASN 83 2HB ASN 83 -10.087 -0.345 4.587 654 HB3 ASN 83 3HB ASN 83 -9.439 -0.255 6.219 655 HD21 ASN 83 1HD2 ASN 83 -11.017 -1.284 7.494 656 HD22 ASN 83 2HD2 ASN 83 -12.744 -1.061 7.281 657 H ARG 84 H ARG 84 -9.671 1.545 2.746 658 HA ARG 84 HA ARG 84 -6.933 0.936 2.287 659 HB2 ARG 84 2HB ARG 84 -7.382 1.909 -0.019 660 HB3 ARG 84 3HB ARG 84 -8.265 0.468 0.456 661 HG2 ARG 84 2HG ARG 84 -10.305 1.570 0.703 662 HG3 ARG 84 3HG ARG 84 -9.561 3.149 0.905 663 HD2 ARG 84 2HD ARG 84 -10.480 3.213 -1.239 664 HD3 ARG 84 3HD ARG 84 -8.742 3.000 -1.453 665 HE ARG 84 HE ARG 84 -10.801 0.827 -1.691 666 HH11 ARG 84 1HH1 ARG 84 -7.738 2.236 -2.960 667 HH12 ARG 84 2HH1 ARG 84 -8.055 1.603 -4.537 668 HH21 ARG 84 1HH2 ARG 84 -10.938 -0.230 -3.600 669 HH22 ARG 84 2HH2 ARG 84 -9.741 -0.021 -4.843 670 H GLU 85 H GLU 85 -8.535 4.207 2.361 671 HA GLU 85 HA GLU 85 -5.967 5.415 1.881 672 HB2 GLU 85 2HB GLU 85 -7.071 7.536 2.392 673 HB3 GLU 85 3HB GLU 85 -7.988 6.592 1.207 674 HG2 GLU 85 2HG GLU 85 -9.699 6.072 2.759 675 HG3 GLU 85 3HG GLU 85 -8.622 6.420 4.121 676 H ALA 86 H ALA 86 -7.508 4.178 4.793 677 HA ALA 86 HA ALA 86 -5.913 5.800 6.592 678 HB1 ALA 86 1HB ALA 86 -6.686 4.219 8.323 679 HB2 ALA 86 2HB ALA 86 -8.046 4.798 7.337 680 HB3 ALA 86 3HB ALA 86 -7.390 3.173 7.073 681 H ALA 87 H ALA 87 -5.658 2.750 4.907 682 HA ALA 87 HA ALA 87 -3.362 1.685 6.218 683 HB1 ALA 87 1HB ALA 87 -4.206 1.157 3.340 684 HB2 ALA 87 2HB ALA 87 -3.365 0.063 4.468 685 HB3 ALA 87 3HB ALA 87 -5.072 0.457 4.694 686 H LEU 88 H LEU 88 -3.786 3.816 3.254 687 HA LEU 88 HA LEU 88 -1.137 3.847 2.567 688 HB2 LEU 88 2HB LEU 88 -1.722 5.359 0.981 689 HB3 LEU 88 3HB LEU 88 -3.315 4.853 1.433 690 HG LEU 88 HG LEU 88 -3.195 6.952 3.043 691 HD11 LEU 88 1HD1 LEU 88 -0.815 7.546 2.638 692 HD12 LEU 88 2HD1 LEU 88 -1.899 8.815 2.079 693 HD13 LEU 88 3HD1 LEU 88 -1.162 7.703 0.907 694 HD21 LEU 88 3HD2 LEU 88 -4.795 6.875 1.213 695 HD22 LEU 88 1HD2 LEU 88 -3.525 7.196 0.026 696 HD23 LEU 88 2HD2 LEU 88 -4.015 8.439 1.196 697 H ALA 89 H ALA 89 -2.814 5.820 5.037 698 HA ALA 89 HA ALA 89 -0.655 7.576 5.588 699 HB1 ALA 89 1HB ALA 89 -2.784 6.559 7.519 700 HB2 ALA 89 2HB ALA 89 -1.780 8.003 7.722 701 HB3 ALA 89 3HB ALA 89 -2.959 7.942 6.402 702 H ARG 90 H ARG 90 -1.421 4.349 6.967 703 HA ARG 90 HA ARG 90 0.688 4.320 8.902 704 HB2 ARG 90 2HB ARG 90 -1.024 2.161 7.573 705 HB3 ARG 90 3HB ARG 90 0.212 1.774 8.775 706 HG2 ARG 90 2HG ARG 90 -0.863 3.264 10.402 707 HG3 ARG 90 3HG ARG 90 -2.122 3.689 9.230 708 HD2 ARG 90 2HD ARG 90 -3.081 1.534 9.274 709 HD3 ARG 90 3HD ARG 90 -1.613 0.804 9.957 710 HE ARG 90 HE ARG 90 -2.659 2.847 11.694 711 HH11 ARG 90 1HH1 ARG 90 -3.207 -0.590 10.963 712 HH12 ARG 90 2HH1 ARG 90 -3.758 -0.933 12.582 713 HH21 ARG 90 1HH2 ARG 90 -3.271 2.410 13.655 714 HH22 ARG 90 2HH2 ARG 90 -3.795 0.871 14.237 715 H LEU 91 H LEU 91 0.477 3.299 5.453 716 HA LEU 91 HA LEU 91 3.012 2.025 5.450 717 HB2 LEU 91 2HB LEU 91 1.332 1.629 3.677 718 HB3 LEU 91 3HB LEU 91 1.412 3.316 3.215 719 HG LEU 91 HG LEU 91 3.733 3.070 2.546 720 HD11 LEU 91 1HD1 LEU 91 4.568 1.318 4.018 721 HD12 LEU 91 2HD1 LEU 91 4.738 0.751 2.360 722 HD13 LEU 91 3HD1 LEU 91 3.408 0.148 3.358 723 HD21 LEU 91 3HD2 LEU 91 3.463 1.954 0.515 724 HD22 LEU 91 1HD2 LEU 91 1.845 2.532 0.941 725 HD23 LEU 91 2HD2 LEU 91 2.272 0.828 1.177 726 H VAL 92 H VAL 92 2.095 5.284 4.402 727 HA VAL 92 HA VAL 92 4.599 6.310 3.783 728 HB VAL 92 HB VAL 92 2.279 7.673 5.208 729 HG11 VAL 92 1HG1 VAL 92 4.230 9.137 5.515 730 HG12 VAL 92 2HG1 VAL 92 4.540 9.104 3.772 731 HG13 VAL 92 3HG1 VAL 92 3.054 9.844 4.409 732 HG21 VAL 92 3HG2 VAL 92 3.060 7.954 2.298 733 HG22 VAL 92 1HG2 VAL 92 1.952 6.691 2.853 734 HG23 VAL 92 2HG2 VAL 92 1.520 8.388 3.071 735 H ALA 93 H ALA 93 3.166 5.987 7.020 736 HA ALA 93 HA ALA 93 5.120 7.522 8.424 737 HB1 ALA 93 1HB ALA 93 2.925 7.039 9.417 738 HB2 ALA 93 2HB ALA 93 3.299 5.301 9.444 739 HB3 ALA 93 3HB ALA 93 4.231 6.426 10.452 740 H MET 94 H MET 94 4.716 3.943 8.391 741 HA MET 94 HA MET 94 7.201 3.461 9.663 742 HB2 MET 94 2HB MET 94 6.969 1.148 8.954 743 HB3 MET 94 3HB MET 94 5.454 1.796 9.585 744 HG2 MET 94 2HG MET 94 4.736 2.214 7.194 745 HG3 MET 94 3HG MET 94 6.135 1.310 6.667 746 HE1 MET 94 3HE MET 94 5.283 -2.272 8.074 747 HE2 MET 94 1HE MET 94 6.605 -1.112 7.810 748 HE3 MET 94 2HE MET 94 5.696 -1.111 9.347 749 H ILE 95 H ILE 95 6.424 3.815 6.163 750 HA ILE 95 HA ILE 95 8.883 3.100 5.040 751 HB ILE 95 HB ILE 95 6.536 4.798 4.403 752 HG12 ILE 95 2HG1 ILE 95 8.123 2.731 2.837 753 HG13 ILE 95 3HG1 ILE 95 6.669 2.448 3.792 754 HG21 ILE 95 1HG2 ILE 95 8.222 6.469 3.782 755 HG22 ILE 95 2HG2 ILE 95 8.762 5.340 2.507 756 HG23 ILE 95 3HG2 ILE 95 7.119 5.910 2.564 757 HD11 ILE 95 3HD1 ILE 95 6.902 3.994 1.184 758 HD12 ILE 95 1HD1 ILE 95 5.934 2.569 1.521 759 HD13 ILE 95 2HD1 ILE 95 5.497 4.146 2.248 760 H LYS 96 H LYS 96 7.943 6.255 6.508 761 HA LYS 96 HA LYS 96 10.598 7.421 5.911 762 HB2 LYS 96 2HB LYS 96 8.254 8.220 7.727 763 HB3 LYS 96 3HB LYS 96 9.658 9.236 7.466 764 HG2 LYS 96 2HG LYS 96 9.104 9.604 5.169 765 HG3 LYS 96 3HG LYS 96 7.788 8.407 5.206 766 HD2 LYS 96 2HD LYS 96 6.524 9.732 6.808 767 HD3 LYS 96 3HD LYS 96 7.848 10.903 6.941 768 HE2 LYS 96 2HE LYS 96 7.628 11.314 4.441 769 HE3 LYS 96 3HE LYS 96 6.182 10.284 4.459 770 HZ1 LYS 96 3HZ LYS 96 6.591 12.831 5.880 771 HZ2 LYS 96 1HZ LYS 96 5.235 11.895 6.082 772 HZ3 LYS 96 2HZ LYS 96 5.553 12.549 4.626 773 H GLU 97 H GLU 97 9.259 5.568 8.550 774 HA GLU 97 HA GLU 97 11.312 6.422 10.428 775 HB2 GLU 97 2HB GLU 97 9.383 4.051 10.425 776 HB3 GLU 97 3HB GLU 97 10.546 4.388 11.704 777 HG2 GLU 97 2HG GLU 97 9.530 6.703 11.903 778 HG3 GLU 97 3HG GLU 97 8.230 6.166 10.846 779 H LEU 98 H LEU 98 10.743 3.430 8.554 780 HA LEU 98 HA LEU 98 13.091 2.047 9.171 781 HB2 LEU 98 2HB LEU 98 11.484 2.051 6.619 782 HB3 LEU 98 3HB LEU 98 12.590 0.752 7.084 783 HG LEU 98 HG LEU 98 10.300 1.584 8.863 784 HD11 LEU 98 1HD1 LEU 98 9.371 1.220 6.623 785 HD12 LEU 98 2HD1 LEU 98 8.843 -0.034 7.745 786 HD13 LEU 98 3HD1 LEU 98 10.144 -0.363 6.551 787 HD21 LEU 98 3HD2 LEU 98 11.157 -1.313 8.666 788 HD22 LEU 98 1HD2 LEU 98 10.448 -0.413 9.997 789 HD23 LEU 98 2HD2 LEU 98 12.135 -0.160 9.612 790 H THR 99 H THR 99 12.777 4.750 7.124 791 HA THR 99 HA THR 99 15.433 4.238 5.790 792 HB THR 99 HB THR 99 14.938 6.361 4.516 793 HG1 THR 99 1HG THR 99 13.351 7.266 5.787 794 HG21 THR 99 3HG2 THR 99 14.617 4.133 3.561 795 HG22 THR 99 1HG2 THR 99 13.419 5.278 2.979 796 HG23 THR 99 2HG2 THR 99 12.973 4.065 4.225 797 H THR 100 H THR 100 14.134 5.939 8.515 798 HA THR 100 HA THR 100 16.723 7.378 8.741 799 HB THR 100 HB THR 100 14.600 8.756 8.218 800 HG1 THR 100 1HG THR 100 16.739 9.452 9.014 801 HG21 THR 100 3HG2 THR 100 13.194 7.763 10.105 802 HG22 THR 100 1HG2 THR 100 13.280 9.541 10.059 803 HG23 THR 100 2HG2 THR 100 14.226 8.646 11.241 804 H GLU 101 H GLU 101 16.616 8.241 11.338 805 HA GLU 101 HA GLU 101 17.051 5.683 12.748 806 HB2 GLU 101 2HB GLU 101 17.837 8.561 13.380 807 HB3 GLU 101 3HB GLU 101 18.265 7.176 14.363 808 HG2 GLU 101 2HG GLU 101 19.482 6.210 12.355 809 HG3 GLU 101 3HG GLU 101 19.262 7.786 11.565 810 H LYS 102 H LYS 102 16.731 5.775 15.107 811 HA LYS 102 HA LYS 102 13.934 6.453 15.763 812 HB2 LYS 102 2HB LYS 102 16.202 5.019 17.198 813 HB3 LYS 102 3HB LYS 102 14.648 5.314 17.972 814 HG2 LYS 102 2HG LYS 102 15.096 3.705 15.422 815 HG3 LYS 102 3HG LYS 102 14.830 3.032 17.014 816 HD2 LYS 102 2HD LYS 102 12.619 2.989 16.581 817 HD3 LYS 102 3HD LYS 102 12.627 4.739 16.706 818 HE2 LYS 102 2HE LYS 102 11.715 4.448 14.575 819 HE3 LYS 102 3HE LYS 102 13.433 4.672 14.192 820 HZ1 LYS 102 3HZ LYS 102 11.893 2.159 14.237 821 HZ2 LYS 102 1HZ LYS 102 13.548 2.169 14.295 822 HZ3 LYS 102 2HZ LYS 102 12.815 2.804 13.011 823 H LYS 103 H LYS 103 13.725 7.439 18.138 824 HA LYS 103 HA LYS 103 15.250 10.002 18.054 825 HB2 LYS 103 2HB LYS 103 12.540 9.085 18.996 826 HB3 LYS 103 3HB LYS 103 13.293 10.395 19.876 827 HG2 LYS 103 2HG LYS 103 11.711 11.093 18.048 828 HG3 LYS 103 3HG LYS 103 13.293 11.833 18.016 829 HD2 LYS 103 2HD LYS 103 12.687 11.408 15.778 830 HD3 LYS 103 3HD LYS 103 13.986 10.291 16.180 831 HE2 LYS 103 2HE LYS 103 12.253 8.489 16.537 832 HE3 LYS 103 3HE LYS 103 11.008 9.655 16.079 833 HZ1 LYS 103 3HZ LYS 103 11.541 8.355 14.227 834 HZ2 LYS 103 1HZ LYS 103 13.179 8.691 14.290 835 HZ3 LYS 103 2HZ LYS 103 12.070 9.849 13.908 836 H ALA 104 H ALA 104 15.938 10.921 20.103 837 HA ALA 104 HA ALA 104 17.419 8.947 21.720 838 HB1 ALA 104 1HB ALA 104 17.292 12.001 21.864 839 HB2 ALA 104 2HB ALA 104 18.421 10.953 22.741 840 HB3 ALA 104 3HB ALA 104 18.506 11.065 20.969 841 H ARG 105 H ARG 105 16.431 8.115 23.603 842 HA ARG 105 HA ARG 105 14.532 9.860 25.008 843 HB2 ARG 105 2HB ARG 105 12.745 8.161 24.975 844 HB3 ARG 105 3HB ARG 105 13.125 8.779 23.368 845 HG2 ARG 105 2HG ARG 105 14.527 6.690 22.975 846 HG3 ARG 105 3HG ARG 105 13.910 6.071 24.532 847 HD2 ARG 105 2HD ARG 105 11.583 6.457 23.632 848 HD3 ARG 105 3HD ARG 105 12.333 6.885 22.075 849 HE ARG 105 HE ARG 105 13.420 4.488 22.489 850 HH11 ARG 105 1HH1 ARG 105 10.030 5.631 22.507 851 HH12 ARG 105 2HH1 ARG 105 9.356 4.038 22.478 852 HH21 ARG 105 1HH2 ARG 105 12.513 2.441 22.066 853 HH22 ARG 105 2HH2 ARG 105 10.812 2.147 22.019 854 H ARG 106 H ARG 106 13.818 9.029 27.062 855 HA ARG 106 HA ARG 106 15.922 8.103 28.667 856 HB2 ARG 106 2HB ARG 106 12.929 7.780 29.172 857 HB3 ARG 106 3HB ARG 106 14.188 7.593 30.391 858 HG2 ARG 106 2HG ARG 106 14.724 9.997 30.255 859 HG3 ARG 106 3HG ARG 106 13.519 10.182 28.971 860 HD2 ARG 106 2HD ARG 106 12.149 10.735 30.676 861 HD3 ARG 106 3HD ARG 106 11.905 9.001 30.805 862 HE ARG 106 HE ARG 106 13.299 10.860 32.567 863 HH11 ARG 106 1HH1 ARG 106 12.666 7.333 32.039 864 HH12 ARG 106 2HH1 ARG 106 13.326 6.915 33.579 865 HH21 ARG 106 1HH2 ARG 106 13.735 10.232 34.721 866 HH22 ARG 106 2HH2 ARG 106 13.773 8.555 35.153 867 HA PRO 107 HA PRO 107 15.731 3.677 27.941 868 HB2 PRO 107 2HB PRO 107 17.106 2.743 30.134 869 HB3 PRO 107 3HB PRO 107 17.903 3.585 28.774 870 HG2 PRO 107 2HG PRO 107 17.022 4.788 31.413 871 HG3 PRO 107 3HG PRO 107 18.603 4.960 30.587 872 HD2 PRO 107 2HD PRO 107 16.652 6.833 30.384 873 HD3 PRO 107 3HD PRO 107 17.691 6.428 28.984 874 H THR 108 H THR 108 14.741 1.689 29.050 875 HA THR 108 HA THR 108 13.025 2.255 31.375 876 HB THR 108 HB THR 108 11.929 2.983 29.155 877 HG1 THR 108 1HG THR 108 9.937 2.134 29.779 878 HG21 THR 108 3HG2 THR 108 12.569 0.997 27.793 879 HG22 THR 108 1HG2 THR 108 10.827 1.294 27.822 880 HG23 THR 108 2HG2 THR 108 11.507 -0.015 28.797 881 H ARG 109 H ARG 109 11.749 0.144 31.897 882 HA ARG 109 HA ARG 109 13.317 -2.295 31.231 883 HB2 ARG 109 2HB ARG 109 12.645 -1.377 34.057 884 HB3 ARG 109 3HB ARG 109 13.053 -3.027 33.621 885 HG2 ARG 109 2HG ARG 109 15.150 -2.512 34.098 886 HG3 ARG 109 3HG ARG 109 15.206 -1.729 32.521 887 HD2 ARG 109 2HD ARG 109 14.655 0.442 33.588 888 HD3 ARG 109 3HD ARG 109 14.496 -0.369 35.163 889 HE ARG 109 HE ARG 109 17.064 -0.741 33.820 890 HH11 ARG 109 1HH1 ARG 109 15.331 1.488 35.973 891 HH12 ARG 109 2HH1 ARG 109 16.785 2.109 36.691 892 HH21 ARG 109 1HH2 ARG 109 18.900 0.079 34.680 893 HH22 ARG 109 2HH2 ARG 109 18.920 1.337 35.873 894 H SER 110 H SER 110 10.218 -0.787 32.164 895 HA SER 110 HA SER 110 8.812 -3.177 32.619 896 HB2 SER 110 2HB SER 110 7.854 -0.514 31.566 897 HB3 SER 110 3HB SER 110 6.811 -1.793 32.231 898 HG SER 110 HG SER 110 7.268 -0.291 33.828 899 H GLY 111 H GLY 111 8.502 -4.813 31.289 900 HA2 GLY 111 2HA GLY 111 8.765 -4.611 28.411 901 HA3 GLY 111 3HA GLY 111 8.278 -6.029 29.358 902 HA PRO 112 HA PRO 112 4.474 -4.021 27.394 903 HB2 PRO 112 2HB PRO 112 3.880 -5.752 25.393 904 HB3 PRO 112 3HB PRO 112 5.047 -4.417 25.162 905 HG2 PRO 112 2HG PRO 112 5.568 -7.287 25.828 906 HG3 PRO 112 3HG PRO 112 6.414 -6.328 24.587 907 HD2 PRO 112 2HD PRO 112 7.496 -6.755 27.047 908 HD3 PRO 112 3HD PRO 112 7.703 -5.195 26.189 909 H SER 113 H SER 113 5.464 -7.345 28.214 910 HA SER 113 HA SER 113 4.689 -8.803 29.657 911 HB2 SER 113 2HB SER 113 3.472 -6.593 30.604 912 HB3 SER 113 3HB SER 113 2.035 -7.507 30.142 913 HG SER 113 HG SER 113 2.882 -7.728 32.317 914 H SER 114 H SER 114 3.628 -8.297 26.633 915 HA SER 114 HA SER 114 1.271 -9.826 26.386 916 HB2 SER 114 2HB SER 114 3.489 -9.267 24.375 917 HB3 SER 114 3HB SER 114 1.832 -9.757 23.992 918 HG SER 114 HG SER 114 2.389 -7.389 24.006 919 H GLY 115 H GLY 115 4.644 -10.826 26.676 920 HA2 GLY 115 2HA GLY 115 4.692 -13.280 27.479 921 HA3 GLY 115 3HA GLY 115 3.967 -13.636 25.897 922 H GLU 116 H GLU 116 6.729 -12.214 27.535 923 HA GLU 116 HA GLU 116 8.385 -12.367 25.067 924 HB2 GLU 116 2HB GLU 116 8.551 -10.642 27.589 925 HB3 GLU 116 3HB GLU 116 9.817 -10.712 26.372 926 HG2 GLU 116 2HG GLU 116 8.526 -8.746 26.002 927 HG3 GLU 116 3HG GLU 116 8.342 -9.858 24.649 928 H ASN 117 H ASN 117 10.824 -12.284 26.315 929 HA ASN 117 HA ASN 117 11.193 -14.402 28.211 930 HB2 ASN 117 2HB ASN 117 12.341 -15.929 26.880 931 HB3 ASN 117 3HB ASN 117 11.024 -15.495 25.817 932 HD21 ASN 117 1HD2 ASN 117 14.517 -15.388 26.282 933 HD22 ASN 117 2HD2 ASN 117 14.879 -14.688 24.724 934 H LEU 118 H LEU 118 13.791 -14.463 28.449 935 HA LEU 118 HA LEU 118 14.626 -11.655 28.638 936 HB2 LEU 118 2HB LEU 118 15.061 -13.419 30.389 937 HB3 LEU 118 3HB LEU 118 16.237 -14.137 29.298 938 HG LEU 118 HG LEU 118 17.267 -12.768 31.040 939 HD11 LEU 118 1HD1 LEU 118 17.689 -11.328 28.396 940 HD12 LEU 118 2HD1 LEU 118 18.425 -12.881 28.841 941 HD13 LEU 118 3HD1 LEU 118 18.798 -11.419 29.772 942 HD21 LEU 118 3HD2 LEU 118 15.398 -11.138 31.333 943 HD22 LEU 118 1HD2 LEU 118 15.918 -10.311 29.853 944 HD23 LEU 118 2HD2 LEU 118 16.998 -10.385 31.255 945 H TYR 119 H TYR 119 14.513 -11.225 26.497 946 HA TYR 119 HA TYR 119 15.904 -12.565 24.344 947 HB2 TYR 119 2HB TYR 119 13.916 -10.998 24.160 948 HB3 TYR 119 3HB TYR 119 15.019 -9.658 24.428 949 HD1 TYR 119 1HD TYR 119 14.144 -12.480 22.204 950 HD2 TYR 119 2HD TYR 119 16.437 -8.849 22.609 951 HE1 TYR 119 1HE TYR 119 14.654 -12.552 19.787 952 HE2 TYR 119 2HE TYR 119 16.845 -8.840 20.159 953 HH TYR 119 HH TYR 119 15.981 -11.607 18.080 954 H PHE 120 H PHE 120 18.063 -12.647 24.174 955 HA PHE 120 HA PHE 120 19.759 -10.586 25.478 956 HB2 PHE 120 2HB PHE 120 19.797 -12.802 26.532 957 HB3 PHE 120 3HB PHE 120 20.152 -13.568 24.993 958 HD1 PHE 120 2HD PHE 120 21.484 -11.134 27.496 959 HD2 PHE 120 1HD PHE 120 22.414 -13.863 24.294 960 HE1 PHE 120 2HE PHE 120 23.915 -10.972 28.055 961 HE2 PHE 120 1HE PHE 120 24.819 -13.706 24.857 962 HZ PHE 120 HZ PHE 120 25.572 -12.249 26.728 963 H GLN 121 H GLN 121 19.993 -9.206 23.734 964 HA GLN 121 HA GLN 121 21.716 -10.075 21.539 965 HB2 GLN 121 2HB GLN 121 18.839 -9.399 21.260 966 HB3 GLN 121 3HB GLN 121 19.864 -8.425 20.243 967 HG2 GLN 121 2HG GLN 121 19.927 -11.470 20.273 968 HG3 GLN 121 3HG GLN 121 18.926 -10.528 19.189 969 HE21 GLN 121 1HE2 GLN 121 20.804 -8.420 18.483 970 HE22 GLN 121 2HE2 GLN 121 22.151 -9.168 17.639 Start of MODEL 4 1 H1 MET 1 H MET 1 -0.810 8.492 -4.048 2 HA MET 1 HA MET 1 1.009 9.260 -5.557 3 HB2 MET 1 2HB MET 1 0.744 11.772 -3.914 4 HB3 MET 1 3HB MET 1 2.080 11.421 -4.956 5 HG2 MET 1 2HG MET 1 -0.391 11.167 -6.475 6 HG3 MET 1 3HG MET 1 -0.320 12.720 -5.639 7 HE1 MET 1 3HE MET 1 1.376 10.388 -8.367 8 HE2 MET 1 1HE MET 1 2.899 11.255 -8.645 9 HE3 MET 1 2HE MET 1 2.622 10.439 -7.096 10 H ILE 2 H ILE 2 0.346 9.037 -2.052 11 HA ILE 2 HA ILE 2 1.752 8.692 -0.300 12 HB ILE 2 HB ILE 2 2.896 6.655 -2.244 13 HG12 ILE 2 2HG1 ILE 2 0.173 6.713 -0.901 14 HG13 ILE 2 3HG1 ILE 2 0.552 6.595 -2.621 15 HG21 ILE 2 1HG2 ILE 2 3.242 5.237 -0.377 16 HG22 ILE 2 2HG2 ILE 2 3.791 6.815 0.168 17 HG23 ILE 2 3HG2 ILE 2 2.196 6.209 0.668 18 HD11 ILE 2 3HD1 ILE 2 -0.240 4.469 -1.865 19 HD12 ILE 2 1HD1 ILE 2 1.492 4.306 -2.212 20 HD13 ILE 2 2HD1 ILE 2 0.920 4.432 -0.530 21 H VAL 3 H VAL 3 2.632 10.916 -1.345 22 HA VAL 3 HA VAL 3 5.363 10.830 -2.292 23 HB VAL 3 HB VAL 3 4.210 12.599 -3.135 24 HG11 VAL 3 1HG1 VAL 3 3.099 14.367 -1.704 25 HG12 VAL 3 2HG1 VAL 3 2.290 12.799 -1.794 26 HG13 VAL 3 3HG1 VAL 3 3.236 13.209 -0.353 27 HG21 VAL 3 3HG2 VAL 3 5.413 14.590 -2.480 28 HG22 VAL 3 1HG2 VAL 3 5.839 13.889 -0.910 29 HG23 VAL 3 2HG2 VAL 3 6.508 13.199 -2.403 30 H ILE 4 H ILE 4 6.764 9.984 -1.147 31 HA ILE 4 HA ILE 4 6.841 10.150 1.763 32 HB ILE 4 HB ILE 4 9.005 9.026 -0.014 33 HG12 ILE 4 2HG1 ILE 4 7.042 7.794 -0.638 34 HG13 ILE 4 3HG1 ILE 4 8.103 6.821 0.354 35 HG21 ILE 4 1HG2 ILE 4 9.524 7.680 2.021 36 HG22 ILE 4 2HG2 ILE 4 9.752 9.412 2.258 37 HG23 ILE 4 3HG2 ILE 4 8.312 8.608 2.909 38 HD11 ILE 4 3HD1 ILE 4 5.814 6.390 0.949 39 HD12 ILE 4 1HD1 ILE 4 6.582 7.206 2.319 40 HD13 ILE 4 2HD1 ILE 4 5.498 8.115 1.227 41 H SER 5 H SER 5 8.796 11.270 -1.078 42 HA SER 5 HA SER 5 9.792 13.588 0.409 43 HB2 SER 5 2HB SER 5 11.326 11.553 0.786 44 HB3 SER 5 3HB SER 5 11.713 11.647 -0.942 45 HG SER 5 HG SER 5 12.292 13.331 1.191 46 H ARG 6 H ARG 6 11.367 14.776 -1.185 47 HA ARG 6 HA ARG 6 10.021 15.867 -3.329 48 HB2 ARG 6 2HB ARG 6 12.154 16.687 -2.157 49 HB3 ARG 6 3HB ARG 6 13.054 15.583 -3.206 50 HG2 ARG 6 2HG ARG 6 12.047 16.812 -5.176 51 HG3 ARG 6 3HG ARG 6 11.422 18.026 -4.040 52 HD2 ARG 6 2HD ARG 6 14.357 17.198 -4.197 53 HD3 ARG 6 3HD ARG 6 13.660 18.423 -5.258 54 HE ARG 6 HE ARG 6 13.225 19.086 -2.471 55 HH11 ARG 6 1HH1 ARG 6 15.742 19.006 -4.984 56 HH12 ARG 6 2HH1 ARG 6 16.600 20.379 -4.424 57 HH21 ARG 6 1HH2 ARG 6 14.286 21.079 -1.798 58 HH22 ARG 6 2HH2 ARG 6 15.732 21.574 -2.581 59 H HIS 7 H HIS 7 12.266 13.109 -3.466 60 HA HIS 7 HA HIS 7 11.645 12.710 -6.354 61 HB2 HIS 7 2HB HIS 7 13.965 11.881 -4.574 62 HB3 HIS 7 3HB HIS 7 13.716 11.238 -6.202 63 HD1 HIS 7 1HD HIS 7 13.388 13.269 -8.142 64 HD2 HIS 7 2HD HIS 7 15.644 13.905 -4.644 65 HE1 HIS 7 1HE HIS 7 14.785 15.368 -8.549 66 H VAL 8 H VAL 8 10.275 11.591 -3.531 67 HA VAL 8 HA VAL 8 9.923 8.876 -4.705 68 HB VAL 8 HB VAL 8 10.247 9.596 -1.783 69 HG11 VAL 8 1HG1 VAL 8 10.283 7.125 -1.486 70 HG12 VAL 8 2HG1 VAL 8 8.746 7.667 -2.146 71 HG13 VAL 8 3HG1 VAL 8 9.953 6.940 -3.230 72 HG21 VAL 8 3HG2 VAL 8 12.153 8.352 -3.792 73 HG22 VAL 8 1HG2 VAL 8 12.424 9.773 -2.762 74 HG23 VAL 8 2HG2 VAL 8 12.353 8.168 -2.043 75 H ALA 9 H ALA 9 7.917 8.626 -5.395 76 HA ALA 9 HA ALA 9 5.609 9.098 -3.660 77 HB1 ALA 9 1HB ALA 9 5.947 10.488 -6.371 78 HB2 ALA 9 2HB ALA 9 4.451 10.437 -5.419 79 HB3 ALA 9 3HB ALA 9 5.856 11.291 -4.781 80 H ILE 10 H ILE 10 4.165 7.570 -4.019 81 HA ILE 10 HA ILE 10 4.645 5.646 -6.250 82 HB ILE 10 HB ILE 10 2.886 5.006 -3.851 83 HG12 ILE 10 2HG1 ILE 10 5.919 4.629 -3.965 84 HG13 ILE 10 3HG1 ILE 10 5.032 5.630 -2.817 85 HG21 ILE 10 1HG2 ILE 10 4.624 3.250 -5.644 86 HG22 ILE 10 2HG2 ILE 10 3.309 2.741 -4.566 87 HG23 ILE 10 3HG2 ILE 10 2.942 3.669 -6.013 88 HD11 ILE 10 3HD1 ILE 10 3.823 3.527 -2.038 89 HD12 ILE 10 1HD1 ILE 10 5.004 2.609 -3.004 90 HD13 ILE 10 2HD1 ILE 10 5.556 3.616 -1.661 91 HA PRO 11 HA PRO 11 1.139 7.854 -7.845 92 HB2 PRO 11 2HB PRO 11 0.373 6.272 -9.991 93 HB3 PRO 11 3HB PRO 11 1.833 7.291 -9.975 94 HG2 PRO 11 2HG PRO 11 1.624 4.335 -9.290 95 HG3 PRO 11 3HG PRO 11 2.754 5.118 -10.445 96 HD2 PRO 11 2HD PRO 11 3.536 4.569 -7.935 97 HD3 PRO 11 3HD PRO 11 3.970 6.123 -8.677 98 H ASP 12 H ASP 12 0.649 4.980 -6.151 99 HA ASP 12 HA ASP 12 -1.098 4.279 -4.988 100 HB2 ASP 12 2HB ASP 12 -2.043 6.668 -5.274 101 HB3 ASP 12 3HB ASP 12 -3.131 5.950 -6.465 102 H GLY 13 H GLY 13 -0.234 3.571 -7.897 103 HA2 GLY 13 2HA GLY 13 -2.380 1.564 -8.440 104 HA3 GLY 13 3HA GLY 13 -1.415 2.342 -9.696 105 H GLU 14 H GLU 14 0.862 1.887 -7.343 106 HA GLU 14 HA GLU 14 1.839 -0.634 -8.525 107 HB2 GLU 14 2HB GLU 14 2.980 1.403 -6.586 108 HB3 GLU 14 3HB GLU 14 3.885 -0.005 -7.092 109 HG2 GLU 14 2HG GLU 14 2.859 2.022 -9.108 110 HG3 GLU 14 3HG GLU 14 4.397 2.188 -8.267 111 H LEU 15 H LEU 15 -0.134 -0.061 -5.819 112 HA LEU 15 HA LEU 15 1.217 -2.131 -4.150 113 HB2 LEU 15 2HB LEU 15 -1.288 -0.571 -3.444 114 HB3 LEU 15 3HB LEU 15 -0.204 -1.449 -2.366 115 HG LEU 15 HG LEU 15 0.170 1.232 -3.697 116 HD11 LEU 15 1HD1 LEU 15 0.555 0.421 -0.822 117 HD12 LEU 15 2HD1 LEU 15 -0.889 1.234 -1.496 118 HD13 LEU 15 3HD1 LEU 15 0.687 2.057 -1.519 119 HD21 LEU 15 3HD2 LEU 15 2.299 -0.391 -2.356 120 HD22 LEU 15 1HD2 LEU 15 2.486 1.334 -2.730 121 HD23 LEU 15 2HD2 LEU 15 2.359 0.157 -4.037 122 H GLU 16 H GLU 16 -0.365 -3.690 -3.057 123 HA GLU 16 HA GLU 16 -2.409 -4.681 -4.995 124 HB2 GLU 16 2HB GLU 16 -0.494 -6.287 -4.948 125 HB3 GLU 16 3HB GLU 16 -0.707 -6.443 -3.192 126 HG2 GLU 16 2HG GLU 16 -1.779 -8.314 -4.175 127 HG3 GLU 16 3HG GLU 16 -3.034 -7.246 -3.565 128 H ILE 17 H ILE 17 -4.160 -3.775 -4.054 129 HA ILE 17 HA ILE 17 -4.400 -3.857 -1.077 130 HB ILE 17 HB ILE 17 -5.887 -2.155 -3.098 131 HG12 ILE 17 2HG1 ILE 17 -4.167 -0.873 -1.004 132 HG13 ILE 17 3HG1 ILE 17 -3.248 -1.747 -2.202 133 HG21 ILE 17 1HG2 ILE 17 -6.670 -0.957 -1.025 134 HG22 ILE 17 2HG2 ILE 17 -7.259 -2.619 -1.109 135 HG23 ILE 17 3HG2 ILE 17 -5.896 -2.219 -0.041 136 HD11 ILE 17 3HD1 ILE 17 -4.329 -0.535 -4.030 137 HD12 ILE 17 1HD1 ILE 17 -5.322 0.369 -2.858 138 HD13 ILE 17 2HD1 ILE 17 -3.549 0.578 -2.886 139 H THR 18 H THR 18 -5.900 -5.169 -0.257 140 HA THR 18 HA THR 18 -7.831 -6.547 -2.069 141 HB THR 18 HB THR 18 -6.357 -8.110 0.023 142 HG1 THR 18 1HG THR 18 -5.349 -7.823 -2.619 143 HG21 THR 18 3HG2 THR 18 -6.480 -9.940 -1.625 144 HG22 THR 18 1HG2 THR 18 -7.300 -8.856 -2.751 145 HG23 THR 18 2HG2 THR 18 -8.088 -9.294 -1.212 146 H ALA 19 H ALA 19 -9.617 -7.532 -0.870 147 HA ALA 19 HA ALA 19 -10.205 -6.019 1.612 148 HB1 ALA 19 1HB ALA 19 -11.809 -5.819 -0.210 149 HB2 ALA 19 2HB ALA 19 -11.933 -7.591 -0.312 150 HB3 ALA 19 3HB ALA 19 -12.542 -6.746 1.120 151 H ILE 20 H ILE 20 -10.841 -6.927 3.510 152 HA ILE 20 HA ILE 20 -10.758 -9.858 3.802 153 HB ILE 20 HB ILE 20 -9.489 -9.358 5.990 154 HG12 ILE 20 2HG1 ILE 20 -8.440 -6.961 4.446 155 HG13 ILE 20 3HG1 ILE 20 -9.563 -6.865 5.787 156 HG21 ILE 20 1HG2 ILE 20 -8.612 -10.612 4.004 157 HG22 ILE 20 2HG2 ILE 20 -7.939 -9.096 3.389 158 HG23 ILE 20 3HG2 ILE 20 -7.350 -9.780 4.930 159 HD11 ILE 20 3HD1 ILE 20 -6.703 -7.871 5.902 160 HD12 ILE 20 1HD1 ILE 20 -7.372 -6.431 6.647 161 HD13 ILE 20 2HD1 ILE 20 -7.867 -8.022 7.246 162 H ARG 21 H ARG 21 -12.428 -10.565 5.048 163 HA ARG 21 HA ARG 21 -13.813 -8.629 6.817 164 HB2 ARG 21 2HB ARG 21 -14.920 -8.952 4.547 165 HB3 ARG 21 3HB ARG 21 -15.269 -10.615 5.017 166 HG2 ARG 21 2HG ARG 21 -16.695 -9.836 6.849 167 HG3 ARG 21 3HG ARG 21 -16.139 -8.161 6.622 168 HD2 ARG 21 2HD ARG 21 -17.078 -8.195 4.308 169 HD3 ARG 21 3HD ARG 21 -17.773 -9.790 4.630 170 HE ARG 21 HE ARG 21 -18.874 -8.477 6.645 171 HH11 ARG 21 1HH1 ARG 21 -18.693 -7.614 3.199 172 HH12 ARG 21 2HH1 ARG 21 -20.096 -6.617 3.235 173 HH21 ARG 21 1HH2 ARG 21 -20.734 -7.033 6.694 174 HH22 ARG 21 2HH2 ARG 21 -21.150 -6.132 5.282 175 H ALA 22 H ALA 22 -13.651 -9.478 8.860 176 HA ALA 22 HA ALA 22 -12.724 -12.219 9.195 177 HB1 ALA 22 1HB ALA 22 -12.070 -10.332 10.692 178 HB2 ALA 22 2HB ALA 22 -13.744 -10.242 11.287 179 HB3 ALA 22 3HB ALA 22 -12.772 -11.698 11.576 180 H GLN 23 H GLN 23 -13.831 -13.913 10.158 181 HA GLN 23 HA GLN 23 -16.748 -13.703 10.615 182 HB2 GLN 23 2HB GLN 23 -17.206 -15.640 9.187 183 HB3 GLN 23 3HB GLN 23 -16.563 -14.269 8.288 184 HG2 GLN 23 2HG GLN 23 -14.275 -15.408 8.354 185 HG3 GLN 23 3HG GLN 23 -15.073 -16.815 9.069 186 HE21 GLN 23 1HE2 GLN 23 -15.101 -18.386 7.380 187 HE22 GLN 23 2HE2 GLN 23 -15.570 -17.983 5.734 188 H GLY 24 H GLY 24 -13.660 -15.153 11.433 189 HA2 GLY 24 2HA GLY 24 -14.772 -17.397 12.906 190 HA3 GLY 24 3HA GLY 24 -13.106 -16.789 12.953 191 H ALA 25 H ALA 25 -13.884 -17.461 15.394 192 HA ALA 25 HA ALA 25 -15.456 -15.491 16.772 193 HB1 ALA 25 1HB ALA 25 -15.158 -17.832 17.545 194 HB2 ALA 25 2HB ALA 25 -13.450 -17.481 17.903 195 HB3 ALA 25 3HB ALA 25 -14.734 -16.646 18.790 196 H GLY 26 H GLY 26 -14.574 -14.259 18.633 197 HA2 GLY 26 2HA GLY 26 -12.165 -12.725 17.819 198 HA3 GLY 26 3HA GLY 26 -13.440 -12.209 18.934 199 H GLY 27 H GLY 27 -10.656 -12.155 19.473 200 HA2 GLY 27 2HA GLY 27 -10.350 -14.066 21.735 201 HA3 GLY 27 3HA GLY 27 -8.997 -13.506 20.718 202 H GLN 28 H GLN 28 -8.894 -12.922 23.457 203 HA GLN 28 HA GLN 28 -10.139 -10.498 24.200 204 HB2 GLN 28 2HB GLN 28 -7.486 -11.584 25.185 205 HB3 GLN 28 3HB GLN 28 -8.503 -10.395 26.006 206 HG2 GLN 28 2HG GLN 28 -10.321 -12.105 26.178 207 HG3 GLN 28 3HG GLN 28 -9.249 -13.298 25.440 208 HE21 GLN 28 1HE2 GLN 28 -9.803 -14.441 27.484 209 HE22 GLN 28 2HE2 GLN 28 -8.706 -14.225 28.841 210 H HIS 29 H HIS 29 -7.600 -10.887 21.951 211 HA HIS 29 HA HIS 29 -6.396 -8.276 22.373 212 HB2 HIS 29 2HB HIS 29 -5.950 -10.021 19.953 213 HB3 HIS 29 3HB HIS 29 -4.806 -8.988 20.796 214 HD1 HIS 29 1HD HIS 29 -5.546 -12.502 20.330 215 HD2 HIS 29 2HD HIS 29 -4.375 -10.056 23.561 216 HE1 HIS 29 1HE HIS 29 -4.682 -14.072 22.170 217 H VAL 30 H VAL 30 -9.310 -9.169 20.926 218 HA VAL 30 HA VAL 30 -9.310 -6.795 19.154 219 HB VAL 30 HB VAL 30 -8.814 -8.616 17.705 220 HG11 VAL 30 1HG1 VAL 30 -11.102 -10.162 18.970 221 HG12 VAL 30 2HG1 VAL 30 -10.279 -10.626 17.467 222 HG13 VAL 30 3HG1 VAL 30 -9.367 -10.585 18.976 223 HG21 VAL 30 3HG2 VAL 30 -11.807 -8.292 17.385 224 HG22 VAL 30 1HG2 VAL 30 -10.638 -7.035 16.936 225 HG23 VAL 30 2HG2 VAL 30 -10.583 -8.610 16.138 226 H ASN 31 H ASN 31 -11.408 -5.957 18.750 227 HA ASN 31 HA ASN 31 -13.375 -6.562 20.902 228 HB2 ASN 31 2HB ASN 31 -13.027 -4.050 19.196 229 HB3 ASN 31 3HB ASN 31 -14.232 -4.292 20.476 230 HD21 ASN 31 1HD2 ASN 31 -13.004 -5.305 22.614 231 HD22 ASN 31 2HD2 ASN 31 -11.498 -4.493 23.001 232 H LYS 32 H LYS 32 -15.043 -4.855 18.599 233 HA LYS 32 HA LYS 32 -15.795 -7.312 17.105 234 HB2 LYS 32 2HB LYS 32 -17.384 -6.456 18.990 235 HB3 LYS 32 3HB LYS 32 -17.755 -5.130 17.897 236 HG2 LYS 32 2HG LYS 32 -19.448 -6.803 17.648 237 HG3 LYS 32 3HG LYS 32 -18.464 -6.856 16.182 238 HD2 LYS 32 2HD LYS 32 -17.211 -8.827 17.169 239 HD3 LYS 32 3HD LYS 32 -18.253 -8.737 18.595 240 HE2 LYS 32 2HE LYS 32 -20.221 -9.232 17.191 241 HE3 LYS 32 3HE LYS 32 -19.196 -9.201 15.739 242 HZ1 LYS 32 3HZ LYS 32 -18.948 -11.157 17.961 243 HZ2 LYS 32 1HZ LYS 32 -17.941 -11.073 16.699 244 HZ3 LYS 32 2HZ LYS 32 -19.468 -11.486 16.432 245 H THR 33 H THR 33 -15.218 -7.104 15.039 246 HA THR 33 HA THR 33 -15.958 -4.923 13.413 247 HB THR 33 HB THR 33 -14.049 -3.777 14.477 248 HG1 THR 33 1HG THR 33 -14.004 -3.062 12.513 249 HG21 THR 33 3HG2 THR 33 -12.349 -6.119 13.515 250 HG22 THR 33 1HG2 THR 33 -12.649 -5.645 15.205 251 HG23 THR 33 2HG2 THR 33 -11.723 -4.590 14.130 252 H SER 34 H SER 34 -15.394 -5.450 11.149 253 HA SER 34 HA SER 34 -14.234 -8.115 10.658 254 HB2 SER 34 2HB SER 34 -16.957 -7.426 9.526 255 HB3 SER 34 3HB SER 34 -16.071 -8.933 9.356 256 HG SER 34 HG SER 34 -17.585 -9.258 10.910 257 H THR 35 H THR 35 -16.159 -5.555 8.929 258 HA THR 35 HA THR 35 -14.928 -5.795 6.480 259 HB THR 35 HB THR 35 -16.152 -3.269 7.678 260 HG1 THR 35 1HG THR 35 -18.101 -4.261 6.789 261 HG21 THR 35 3HG2 THR 35 -16.824 -2.835 5.417 262 HG22 THR 35 1HG2 THR 35 -16.203 -4.414 4.863 263 HG23 THR 35 2HG2 THR 35 -15.086 -3.140 5.421 264 H ALA 36 H ALA 36 -12.757 -5.776 6.263 265 HA ALA 36 HA ALA 36 -11.334 -3.265 6.982 266 HB1 ALA 36 1HB ALA 36 -11.038 -4.960 8.784 267 HB2 ALA 36 2HB ALA 36 -10.440 -6.131 7.607 268 HB3 ALA 36 3HB ALA 36 -9.534 -4.635 7.913 269 H ILE 37 H ILE 37 -8.972 -3.451 5.994 270 HA ILE 37 HA ILE 37 -9.054 -4.688 3.292 271 HB ILE 37 HB ILE 37 -8.271 -1.863 4.081 272 HG12 ILE 37 2HG1 ILE 37 -10.692 -2.169 3.490 273 HG13 ILE 37 3HG1 ILE 37 -9.873 -1.155 2.315 274 HG21 ILE 37 1HG2 ILE 37 -7.647 -1.489 1.681 275 HG22 ILE 37 2HG2 ILE 37 -6.495 -2.371 2.670 276 HG23 ILE 37 3HG2 ILE 37 -7.531 -3.234 1.510 277 HD11 ILE 37 3HD1 ILE 37 -11.256 -2.657 1.092 278 HD12 ILE 37 1HD1 ILE 37 -9.617 -3.252 0.843 279 HD13 ILE 37 2HD1 ILE 37 -10.699 -4.049 2.009 280 H HIS 38 H HIS 38 -7.041 -5.149 2.466 281 HA HIS 38 HA HIS 38 -4.822 -5.433 4.396 282 HB2 HIS 38 2HB HIS 38 -6.112 -7.530 3.704 283 HB3 HIS 38 3HB HIS 38 -5.600 -7.236 2.054 284 HD1 HIS 38 1HD HIS 38 -3.007 -7.785 1.520 285 HD2 HIS 38 2HD HIS 38 -4.287 -8.266 5.509 286 HE1 HIS 38 1HE HIS 38 -1.181 -9.146 2.709 287 H LEU 39 H LEU 39 -3.123 -4.165 3.747 288 HA LEU 39 HA LEU 39 -2.997 -3.272 0.878 289 HB2 LEU 39 2HB LEU 39 -3.528 -1.449 2.381 290 HB3 LEU 39 3HB LEU 39 -2.151 -1.806 3.411 291 HG LEU 39 HG LEU 39 -1.650 -1.247 0.468 292 HD11 LEU 39 1HD1 LEU 39 -2.046 0.980 2.491 293 HD12 LEU 39 2HD1 LEU 39 -3.229 0.543 1.229 294 HD13 LEU 39 3HD1 LEU 39 -1.633 1.143 0.783 295 HD21 LEU 39 3HD2 LEU 39 0.279 0.128 1.738 296 HD22 LEU 39 1HD2 LEU 39 0.433 -1.628 1.508 297 HD23 LEU 39 2HD2 LEU 39 -0.111 -0.928 3.067 298 H ARG 40 H ARG 40 -1.249 -4.067 -0.206 299 HA ARG 40 HA ARG 40 1.072 -5.049 1.381 300 HB2 ARG 40 2HB ARG 40 -0.318 -6.918 0.655 301 HB3 ARG 40 3HB ARG 40 -0.365 -6.272 -0.989 302 HG2 ARG 40 2HG ARG 40 2.062 -6.593 -1.217 303 HG3 ARG 40 3HG ARG 40 2.089 -7.316 0.414 304 HD2 ARG 40 2HD ARG 40 0.956 -9.219 -0.261 305 HD3 ARG 40 3HD ARG 40 0.147 -8.410 -1.621 306 HE ARG 40 HE ARG 40 2.445 -8.269 -2.668 307 HH11 ARG 40 1HH1 ARG 40 1.010 -11.129 -1.057 308 HH12 ARG 40 2HH1 ARG 40 2.037 -12.197 -1.938 309 HH21 ARG 40 1HH2 ARG 40 3.740 -9.832 -3.773 310 HH22 ARG 40 2HH2 ARG 40 3.590 -11.497 -3.343 311 H PHE 41 H PHE 41 2.950 -4.177 0.692 312 HA PHE 41 HA PHE 41 3.116 -2.951 -2.017 313 HB2 PHE 41 2HB PHE 41 2.855 -1.132 -0.387 314 HB3 PHE 41 3HB PHE 41 4.085 -1.837 0.641 315 HD1 PHE 41 2HD PHE 41 4.092 -1.290 -3.110 316 HD2 PHE 41 1HD PHE 41 5.941 -0.412 0.688 317 HE1 PHE 41 2HE PHE 41 5.841 -0.025 -4.265 318 HE2 PHE 41 1HE PHE 41 7.751 0.794 -0.477 319 HZ PHE 41 HZ PHE 41 7.698 0.994 -2.984 320 H ASP 42 H ASP 42 4.677 -4.037 -3.188 321 HA ASP 42 HA ASP 42 6.842 -5.439 -1.808 322 HB2 ASP 42 2HB ASP 42 7.242 -6.192 -4.308 323 HB3 ASP 42 3HB ASP 42 6.132 -6.993 -3.254 324 H ILE 43 H ILE 43 8.540 -4.248 -1.455 325 HA ILE 43 HA ILE 43 9.302 -1.876 -2.830 326 HB ILE 43 HB ILE 43 10.881 -3.904 -1.171 327 HG12 ILE 43 2HG1 ILE 43 10.807 -1.459 0.160 328 HG13 ILE 43 3HG1 ILE 43 9.219 -1.490 -0.569 329 HG21 ILE 43 1HG2 ILE 43 12.647 -2.213 -0.939 330 HG22 ILE 43 2HG2 ILE 43 12.513 -2.782 -2.591 331 HG23 ILE 43 3HG2 ILE 43 11.825 -1.196 -2.159 332 HD11 ILE 43 3HD1 ILE 43 8.688 -3.586 0.554 333 HD12 ILE 43 1HD1 ILE 43 10.370 -3.746 1.142 334 HD13 ILE 43 2HD1 ILE 43 9.333 -2.451 1.746 335 H ARG 44 H ARG 44 10.182 -5.295 -3.283 336 HA ARG 44 HA ARG 44 12.117 -4.933 -5.356 337 HB2 ARG 44 2HB ARG 44 10.322 -7.301 -4.628 338 HB3 ARG 44 3HB ARG 44 11.676 -7.391 -5.743 339 HG2 ARG 44 2HG ARG 44 11.882 -6.632 -2.789 340 HG3 ARG 44 3HG ARG 44 12.263 -8.211 -3.449 341 HD2 ARG 44 2HD ARG 44 13.716 -5.651 -4.180 342 HD3 ARG 44 3HD ARG 44 14.276 -6.885 -3.037 343 HE ARG 44 HE ARG 44 13.685 -8.093 -5.571 344 HH11 ARG 44 1HH1 ARG 44 16.251 -6.012 -4.030 345 HH12 ARG 44 2HH1 ARG 44 17.466 -7.092 -4.622 346 HH21 ARG 44 1HH2 ARG 44 15.471 -8.919 -6.835 347 HH22 ARG 44 2HH2 ARG 44 17.007 -8.141 -6.618 348 H ALA 45 H ALA 45 8.801 -4.306 -5.573 349 HA ALA 45 HA ALA 45 8.856 -4.704 -8.524 350 HB1 ALA 45 1HB ALA 45 7.276 -6.101 -7.137 351 HB2 ALA 45 2HB ALA 45 6.449 -4.588 -6.702 352 HB3 ALA 45 3HB ALA 45 6.507 -5.100 -8.397 353 H SER 46 H SER 46 9.317 -2.317 -6.335 354 HA SER 46 HA SER 46 7.504 -0.341 -7.589 355 HB2 SER 46 2HB SER 46 8.006 0.965 -5.620 356 HB3 SER 46 3HB SER 46 7.665 -0.700 -5.137 357 HG SER 46 HG SER 46 9.877 -1.072 -4.914 358 H SER 47 H SER 47 8.364 1.925 -7.718 359 HA SER 47 HA SER 47 10.840 2.021 -9.356 360 HB2 SER 47 2HB SER 47 8.393 3.801 -9.096 361 HB3 SER 47 3HB SER 47 9.887 4.376 -9.850 362 HG SER 47 HG SER 47 8.020 2.834 -10.916 363 H LEU 48 H LEU 48 10.294 2.174 -6.163 364 HA LEU 48 HA LEU 48 11.279 4.635 -5.250 365 HB2 LEU 48 2HB LEU 48 11.745 1.818 -4.156 366 HB3 LEU 48 3HB LEU 48 12.094 3.278 -3.255 367 HG LEU 48 HG LEU 48 9.362 2.269 -4.109 368 HD11 LEU 48 1HD1 LEU 48 10.329 1.147 -2.158 369 HD12 LEU 48 2HD1 LEU 48 9.049 2.236 -1.605 370 HD13 LEU 48 3HD1 LEU 48 10.742 2.708 -1.410 371 HD21 LEU 48 3HD2 LEU 48 9.928 4.807 -2.565 372 HD22 LEU 48 1HD2 LEU 48 8.335 4.150 -3.111 373 HD23 LEU 48 2HD2 LEU 48 9.447 4.768 -4.280 374 HA PRO 49 HA PRO 49 15.526 4.720 -6.359 375 HB2 PRO 49 2HB PRO 49 16.740 5.997 -4.228 376 HB3 PRO 49 3HB PRO 49 15.677 6.845 -5.398 377 HG2 PRO 49 2HG PRO 49 14.964 5.689 -2.710 378 HG3 PRO 49 3HG PRO 49 14.566 7.320 -3.299 379 HD2 PRO 49 2HD PRO 49 12.739 5.363 -3.424 380 HD3 PRO 49 3HD PRO 49 12.928 6.481 -4.801 381 H GLU 50 H GLU 50 17.384 3.449 -6.019 382 HA GLU 50 HA GLU 50 17.025 1.023 -4.658 383 HB2 GLU 50 2HB GLU 50 19.318 0.548 -5.208 384 HB3 GLU 50 3HB GLU 50 18.486 1.388 -6.527 385 HG2 GLU 50 2HG GLU 50 19.586 3.546 -5.331 386 HG3 GLU 50 3HG GLU 50 20.712 2.342 -4.745 387 H TYR 51 H TYR 51 18.544 4.029 -3.494 388 HA TYR 51 HA TYR 51 19.681 3.106 -1.116 389 HB2 TYR 51 2HB TYR 51 19.839 5.410 -2.086 390 HB3 TYR 51 3HB TYR 51 18.191 5.735 -1.581 391 HD1 TYR 51 2HD TYR 51 17.678 5.508 1.020 392 HD2 TYR 51 1HD TYR 51 21.615 5.977 -0.691 393 HE1 TYR 51 2HE TYR 51 18.512 6.223 3.211 394 HE2 TYR 51 1HE TYR 51 22.458 6.768 1.536 395 HH TYR 51 HH TYR 51 20.451 6.644 4.479 396 H TYR 52 H TYR 52 16.312 4.177 -1.721 397 HA TYR 52 HA TYR 52 15.401 3.648 0.975 398 HB2 TYR 52 2HB TYR 52 13.912 4.012 -1.655 399 HB3 TYR 52 3HB TYR 52 13.127 3.575 -0.232 400 HD1 TYR 52 2HD TYR 52 15.908 6.209 -0.403 401 HD2 TYR 52 1HD TYR 52 11.670 5.423 -0.010 402 HE1 TYR 52 2HE TYR 52 15.534 8.528 0.283 403 HE2 TYR 52 1HE TYR 52 11.333 7.714 0.778 404 HH TYR 52 HH TYR 52 13.954 10.041 1.323 405 H LYS 53 H LYS 53 15.387 1.799 -2.142 406 HA LYS 53 HA LYS 53 13.773 -0.311 -1.203 407 HB2 LYS 53 2HB LYS 53 16.084 -0.469 -3.201 408 HB3 LYS 53 3HB LYS 53 14.980 -1.777 -2.838 409 HG2 LYS 53 2HG LYS 53 13.124 0.026 -3.517 410 HG3 LYS 53 3HG LYS 53 14.475 0.738 -4.410 411 HD2 LYS 53 2HD LYS 53 14.848 -1.447 -5.560 412 HD3 LYS 53 3HD LYS 53 13.538 -2.167 -4.616 413 HE2 LYS 53 2HE LYS 53 12.001 -0.386 -5.604 414 HE3 LYS 53 3HE LYS 53 13.328 0.031 -6.698 415 HZ1 LYS 53 3HZ LYS 53 13.233 -2.399 -7.386 416 HZ2 LYS 53 1HZ LYS 53 11.876 -1.556 -7.768 417 HZ3 LYS 53 2HZ LYS 53 11.899 -2.542 -6.485 418 H GLU 54 H GLU 54 17.344 -0.080 -1.166 419 HA GLU 54 HA GLU 54 17.822 -2.446 0.262 420 HB2 GLU 54 2HB GLU 54 19.331 0.190 0.314 421 HB3 GLU 54 3HB GLU 54 19.955 -1.342 0.937 422 HG2 GLU 54 2HG GLU 54 19.099 -0.913 -1.968 423 HG3 GLU 54 3HG GLU 54 20.715 -0.712 -1.338 424 H ARG 55 H ARG 55 17.152 0.852 1.499 425 HA ARG 55 HA ARG 55 17.535 0.173 4.267 426 HB2 ARG 55 2HB ARG 55 16.288 2.458 2.829 427 HB3 ARG 55 3HB ARG 55 15.497 2.080 4.346 428 HG2 ARG 55 2HG ARG 55 17.252 3.714 4.788 429 HG3 ARG 55 3HG ARG 55 17.726 2.167 5.518 430 HD2 ARG 55 2HD ARG 55 19.026 1.718 3.391 431 HD3 ARG 55 3HD ARG 55 18.666 3.369 2.877 432 HE ARG 55 HE ARG 55 19.844 3.458 5.479 433 HH11 ARG 55 1HH1 ARG 55 20.706 2.689 2.140 434 HH12 ARG 55 2HH1 ARG 55 22.356 3.177 2.261 435 HH21 ARG 55 1HH2 ARG 55 22.053 4.154 5.699 436 HH22 ARG 55 2HH2 ARG 55 23.152 4.043 4.400 437 H LEU 56 H LEU 56 14.540 0.024 2.329 438 HA LEU 56 HA LEU 56 12.946 -0.966 4.554 439 HB2 LEU 56 2HB LEU 56 12.512 -1.164 1.560 440 HB3 LEU 56 3HB LEU 56 11.302 -1.497 2.812 441 HG LEU 56 HG LEU 56 12.485 1.164 1.982 442 HD11 LEU 56 1HD1 LEU 56 10.714 0.680 0.592 443 HD12 LEU 56 2HD1 LEU 56 9.980 1.726 1.801 444 HD13 LEU 56 3HD1 LEU 56 9.723 -0.014 1.897 445 HD21 LEU 56 3HD2 LEU 56 11.161 2.276 3.721 446 HD22 LEU 56 1HD2 LEU 56 12.536 1.358 4.310 447 HD23 LEU 56 2HD2 LEU 56 10.886 0.685 4.478 448 H LEU 57 H LEU 57 14.917 -2.505 1.998 449 HA LEU 57 HA LEU 57 13.923 -5.172 2.491 450 HB2 LEU 57 2HB LEU 57 16.312 -3.983 1.041 451 HB3 LEU 57 3HB LEU 57 16.183 -5.714 1.229 452 HG LEU 57 HG LEU 57 13.873 -4.151 0.042 453 HD11 LEU 57 1HD1 LEU 57 16.198 -5.393 -1.480 454 HD12 LEU 57 2HD1 LEU 57 15.961 -3.660 -1.254 455 HD13 LEU 57 3HD1 LEU 57 14.765 -4.603 -2.180 456 HD21 LEU 57 3HD2 LEU 57 14.810 -7.030 -0.347 457 HD22 LEU 57 1HD2 LEU 57 13.313 -6.306 -0.957 458 HD23 LEU 57 2HD2 LEU 57 13.537 -6.546 0.781 459 H ALA 58 H ALA 58 16.393 -3.146 3.861 460 HA ALA 58 HA ALA 58 17.623 -5.303 5.464 461 HB1 ALA 58 1HB ALA 58 19.046 -3.686 4.207 462 HB2 ALA 58 2HB ALA 58 18.323 -2.351 5.146 463 HB3 ALA 58 3HB ALA 58 19.283 -3.592 5.956 464 H ALA 59 H ALA 59 14.760 -3.764 5.863 465 HA ALA 59 HA ALA 59 15.119 -2.517 8.467 466 HB1 ALA 59 1HB ALA 59 12.582 -2.463 8.260 467 HB2 ALA 59 2HB ALA 59 13.415 -1.656 6.909 468 HB3 ALA 59 3HB ALA 59 12.721 -3.295 6.736 469 H SER 60 H SER 60 13.550 -3.277 10.151 470 HA SER 60 HA SER 60 13.115 -6.191 10.299 471 HB2 SER 60 2HB SER 60 15.273 -5.855 11.377 472 HB3 SER 60 3HB SER 60 14.605 -4.563 12.393 473 HG SER 60 HG SER 60 14.619 -6.419 13.567 474 H HIS 61 H HIS 61 11.007 -5.564 9.852 475 HA HIS 61 HA HIS 61 9.589 -4.268 12.132 476 HB2 HIS 61 2HB HIS 61 9.699 -3.056 9.685 477 HB3 HIS 61 3HB HIS 61 8.414 -4.163 9.374 478 HD1 HIS 61 1HD HIS 61 6.486 -4.052 11.791 479 HD2 HIS 61 2HD HIS 61 8.707 -0.723 10.413 480 HE1 HIS 61 1HE HIS 61 5.270 -2.005 12.570 481 H HIS 62 H HIS 62 7.987 -5.509 12.903 482 HA HIS 62 HA HIS 62 7.617 -8.193 12.114 483 HB2 HIS 62 2HB HIS 62 5.812 -8.194 13.744 484 HB3 HIS 62 3HB HIS 62 7.229 -7.364 14.373 485 HD1 HIS 62 1HD HIS 62 7.031 -4.574 14.483 486 HD2 HIS 62 2HD HIS 62 3.547 -6.831 13.697 487 HE1 HIS 62 1HE HIS 62 5.092 -2.991 14.710 488 H LEU 63 H LEU 63 6.621 -5.529 10.407 489 HA LEU 63 HA LEU 63 4.121 -6.710 9.312 490 HB2 LEU 63 2HB LEU 63 5.267 -3.901 9.214 491 HB3 LEU 63 3HB LEU 63 3.790 -4.394 8.412 492 HG LEU 63 HG LEU 63 4.259 -4.283 11.410 493 HD11 LEU 63 1HD1 LEU 63 2.458 -2.634 9.583 494 HD12 LEU 63 2HD1 LEU 63 3.999 -2.083 10.256 495 HD13 LEU 63 3HD1 LEU 63 2.641 -2.435 11.336 496 HD21 LEU 63 3HD2 LEU 63 1.708 -4.992 9.924 497 HD22 LEU 63 1HD2 LEU 63 1.867 -4.771 11.678 498 HD23 LEU 63 2HD2 LEU 63 2.682 -6.128 10.897 499 H ILE 64 H ILE 64 7.532 -6.486 8.505 500 HA ILE 64 HA ILE 64 6.769 -6.675 5.630 501 HB ILE 64 HB ILE 64 9.395 -5.703 6.758 502 HG12 ILE 64 2HG1 ILE 64 7.174 -3.927 5.707 503 HG13 ILE 64 3HG1 ILE 64 7.544 -4.097 7.397 504 HG21 ILE 64 1HG2 ILE 64 8.243 -5.294 3.963 505 HG22 ILE 64 2HG2 ILE 64 9.894 -4.931 4.518 506 HG23 ILE 64 3HG2 ILE 64 9.376 -6.577 4.376 507 HD11 ILE 64 3HD1 ILE 64 9.840 -3.307 7.020 508 HD12 ILE 64 1HD1 ILE 64 9.437 -2.979 5.313 509 HD13 ILE 64 2HD1 ILE 64 8.581 -2.118 6.596 510 H SER 65 H SER 65 7.673 -8.258 4.467 511 HA SER 65 HA SER 65 8.930 -10.546 5.930 512 HB2 SER 65 2HB SER 65 7.754 -10.252 3.129 513 HB3 SER 65 3HB SER 65 8.661 -11.673 3.646 514 HG SER 65 HG SER 65 6.131 -10.833 4.316 515 H SER 66 H SER 66 10.863 -11.594 4.956 516 HA SER 66 HA SER 66 12.976 -9.853 4.448 517 HB2 SER 66 2HB SER 66 12.952 -12.307 5.251 518 HB3 SER 66 3HB SER 66 12.961 -12.755 3.535 519 HG SER 66 HG SER 66 14.969 -11.812 3.334 520 H ASP 67 H ASP 67 10.691 -11.206 2.226 521 HA ASP 67 HA ASP 67 12.103 -10.886 -0.251 522 HB2 ASP 67 2HB ASP 67 10.120 -12.420 0.299 523 HB3 ASP 67 3HB ASP 67 9.093 -10.998 0.227 524 H GLY 68 H GLY 68 11.112 -8.566 1.869 525 HA2 GLY 68 2HA GLY 68 10.907 -6.337 1.781 526 HA3 GLY 68 3HA GLY 68 11.323 -6.376 0.049 527 H VAL 69 H VAL 69 8.582 -7.596 2.050 528 HA VAL 69 HA VAL 69 6.726 -6.098 0.286 529 HB VAL 69 HB VAL 69 6.249 -8.938 1.250 530 HG11 VAL 69 1HG1 VAL 69 4.214 -7.564 0.987 531 HG12 VAL 69 2HG1 VAL 69 4.704 -7.117 -0.664 532 HG13 VAL 69 3HG1 VAL 69 4.301 -8.800 -0.273 533 HG21 VAL 69 3HG2 VAL 69 7.928 -9.098 -0.481 534 HG22 VAL 69 1HG2 VAL 69 6.372 -9.558 -1.174 535 HG23 VAL 69 2HG2 VAL 69 7.056 -7.955 -1.507 536 H ILE 70 H ILE 70 5.869 -4.612 1.557 537 HA ILE 70 HA ILE 70 5.716 -4.891 4.480 538 HB ILE 70 HB ILE 70 4.724 -2.621 2.678 539 HG12 ILE 70 2HG1 ILE 70 7.513 -3.200 3.646 540 HG13 ILE 70 3HG1 ILE 70 6.948 -2.653 2.081 541 HG21 ILE 70 1HG2 ILE 70 5.453 -2.584 5.625 542 HG22 ILE 70 2HG2 ILE 70 4.844 -1.217 4.674 543 HG23 ILE 70 3HG2 ILE 70 3.810 -2.592 4.978 544 HD11 ILE 70 3HD1 ILE 70 6.581 -0.380 3.013 545 HD12 ILE 70 1HD1 ILE 70 7.163 -0.947 4.602 546 HD13 ILE 70 2HD1 ILE 70 8.254 -0.937 3.232 547 H VAL 71 H VAL 71 3.795 -5.269 5.596 548 HA VAL 71 HA VAL 71 1.273 -5.545 4.037 549 HB VAL 71 HB VAL 71 2.200 -7.273 6.339 550 HG11 VAL 71 1HG1 VAL 71 0.530 -8.846 5.424 551 HG12 VAL 71 2HG1 VAL 71 -0.204 -7.326 5.956 552 HG13 VAL 71 3HG1 VAL 71 0.076 -7.632 4.215 553 HG21 VAL 71 3HG2 VAL 71 3.801 -7.718 4.571 554 HG22 VAL 71 1HG2 VAL 71 2.656 -9.049 4.603 555 HG23 VAL 71 2HG2 VAL 71 2.505 -7.794 3.348 556 H ILE 72 H ILE 72 -0.171 -4.087 4.769 557 HA ILE 72 HA ILE 72 -0.223 -3.270 7.636 558 HB ILE 72 HB ILE 72 -0.628 -1.605 5.168 559 HG12 ILE 72 2HG1 ILE 72 1.296 -1.261 7.517 560 HG13 ILE 72 3HG1 ILE 72 1.734 -2.061 6.008 561 HG21 ILE 72 1HG2 ILE 72 -1.168 0.306 6.596 562 HG22 ILE 72 2HG2 ILE 72 -2.357 -0.939 6.862 563 HG23 ILE 72 3HG2 ILE 72 -1.059 -0.702 8.055 564 HD11 ILE 72 3HD1 ILE 72 2.491 0.124 5.749 565 HD12 ILE 72 1HD1 ILE 72 1.024 0.034 4.780 566 HD13 ILE 72 2HD1 ILE 72 0.983 0.839 6.367 567 H LYS 73 H LYS 73 -2.085 -3.742 8.650 568 HA LYS 73 HA LYS 73 -4.573 -4.120 7.058 569 HB2 LYS 73 2HB LYS 73 -3.857 -5.291 9.774 570 HB3 LYS 73 3HB LYS 73 -5.306 -5.602 8.849 571 HG2 LYS 73 2HG LYS 73 -3.847 -6.497 6.966 572 HG3 LYS 73 3HG LYS 73 -2.477 -6.374 8.085 573 HD2 LYS 73 2HD LYS 73 -3.871 -7.818 9.703 574 HD3 LYS 73 3HD LYS 73 -4.936 -8.161 8.303 575 HE2 LYS 73 2HE LYS 73 -3.138 -9.161 7.075 576 HE3 LYS 73 3HE LYS 73 -1.919 -8.485 8.153 577 HZ1 LYS 73 3HZ LYS 73 -2.273 -10.831 8.511 578 HZ2 LYS 73 1HZ LYS 73 -3.842 -10.572 8.975 579 HZ3 LYS 73 2HZ LYS 73 -2.575 -9.964 9.857 580 H ALA 74 H ALA 74 -5.504 -2.085 7.050 581 HA ALA 74 HA ALA 74 -5.602 -0.465 9.536 582 HB1 ALA 74 1HB ALA 74 -6.613 1.233 7.977 583 HB2 ALA 74 2HB ALA 74 -5.005 0.718 7.455 584 HB3 ALA 74 3HB ALA 74 -6.457 0.077 6.648 585 H GLN 75 H GLN 75 -7.545 -0.454 10.739 586 HA GLN 75 HA GLN 75 -10.044 -1.098 9.446 587 HB2 GLN 75 2HB GLN 75 -10.440 -2.906 11.381 588 HB3 GLN 75 3HB GLN 75 -9.947 -3.262 9.746 589 HG2 GLN 75 2HG GLN 75 -7.542 -3.434 10.532 590 HG3 GLN 75 3HG GLN 75 -8.124 -3.295 12.178 591 HE21 GLN 75 1HE2 GLN 75 -7.511 -5.421 9.597 592 HE22 GLN 75 2HE2 GLN 75 -8.269 -6.865 10.282 593 H GLU 76 H GLU 76 -11.250 0.445 10.154 594 HA GLU 76 HA GLU 76 -11.679 0.952 12.964 595 HB2 GLU 76 2HB GLU 76 -11.154 3.384 12.762 596 HB3 GLU 76 3HB GLU 76 -9.779 2.293 12.780 597 HG2 GLU 76 2HG GLU 76 -9.860 2.579 10.184 598 HG3 GLU 76 3HG GLU 76 -10.693 4.072 10.663 599 H TYR 77 H TYR 77 -12.155 2.283 9.660 600 HA TYR 77 HA TYR 77 -14.747 3.327 10.154 601 HB2 TYR 77 2HB TYR 77 -13.352 2.551 7.564 602 HB3 TYR 77 3HB TYR 77 -14.883 3.407 7.639 603 HD1 TYR 77 1HD TYR 77 -11.266 3.691 8.580 604 HD2 TYR 77 2HD TYR 77 -14.973 5.785 7.933 605 HE1 TYR 77 1HE TYR 77 -10.078 5.791 8.850 606 HE2 TYR 77 2HE TYR 77 -13.753 7.944 8.038 607 HH TYR 77 HH TYR 77 -11.707 8.987 8.413 608 H ARG 78 H ARG 78 -16.737 2.597 9.549 609 HA ARG 78 HA ARG 78 -17.136 -0.185 9.875 610 HB2 ARG 78 2HB ARG 78 -18.670 1.948 10.364 611 HB3 ARG 78 3HB ARG 78 -19.173 1.771 8.699 612 HG2 ARG 78 2HG ARG 78 -20.842 0.743 10.024 613 HG3 ARG 78 3HG ARG 78 -19.975 -0.575 9.247 614 HD2 ARG 78 2HD ARG 78 -20.466 -1.086 11.612 615 HD3 ARG 78 3HD ARG 78 -18.731 -1.028 11.308 616 HE ARG 78 HE ARG 78 -18.496 0.630 12.798 617 HH11 ARG 78 1HH1 ARG 78 -21.999 0.655 12.001 618 HH12 ARG 78 2HH1 ARG 78 -22.347 1.618 13.401 619 HH21 ARG 78 1HH2 ARG 78 -19.022 1.974 14.454 620 HH22 ARG 78 2HH2 ARG 78 -20.641 2.553 14.686 621 H SER 79 H SER 79 -16.465 1.619 6.940 622 HA SER 79 HA SER 79 -17.716 -0.491 5.270 623 HB2 SER 79 2HB SER 79 -17.090 2.409 5.004 624 HB3 SER 79 3HB SER 79 -16.937 1.472 3.526 625 HG SER 79 HG SER 79 -19.061 0.668 3.931 626 H GLN 80 H GLN 80 -16.370 -0.645 3.089 627 HA GLN 80 HA GLN 80 -13.670 -1.570 3.842 628 HB2 GLN 80 2HB GLN 80 -15.742 -3.066 3.033 629 HB3 GLN 80 3HB GLN 80 -15.146 -2.627 1.455 630 HG2 GLN 80 2HG GLN 80 -13.102 -3.743 1.785 631 HG3 GLN 80 3HG GLN 80 -13.159 -3.611 3.530 632 HE21 GLN 80 1HE2 GLN 80 -12.879 -5.850 3.961 633 HE22 GLN 80 2HE2 GLN 80 -14.079 -7.046 3.455 634 H GLU 81 H GLU 81 -14.513 1.208 2.800 635 HA GLU 81 HA GLU 81 -12.757 1.250 0.393 636 HB2 GLU 81 2HB GLU 81 -15.290 1.413 0.080 637 HB3 GLU 81 3HB GLU 81 -15.201 3.010 0.801 638 HG2 GLU 81 2HG GLU 81 -13.839 3.849 -0.971 639 HG3 GLU 81 3HG GLU 81 -13.461 2.220 -1.558 640 H LEU 82 H LEU 82 -13.291 2.335 3.512 641 HA LEU 82 HA LEU 82 -11.755 4.889 3.201 642 HB2 LEU 82 2HB LEU 82 -13.245 3.699 5.564 643 HB3 LEU 82 3HB LEU 82 -12.489 5.259 5.556 644 HG LEU 82 HG LEU 82 -14.747 5.708 5.342 645 HD11 LEU 82 1HD1 LEU 82 -13.777 5.749 2.457 646 HD12 LEU 82 2HD1 LEU 82 -13.436 6.997 3.683 647 HD13 LEU 82 3HD1 LEU 82 -15.105 6.692 3.147 648 HD21 LEU 82 3HD2 LEU 82 -15.282 3.299 4.699 649 HD22 LEU 82 1HD2 LEU 82 -15.167 3.839 3.003 650 HD23 LEU 82 2HD2 LEU 82 -16.343 4.578 4.071 651 H ASN 83 H ASN 83 -11.607 1.662 4.437 652 HA ASN 83 HA ASN 83 -9.403 1.989 6.264 653 HB2 ASN 83 2HB ASN 83 -9.622 -0.658 4.997 654 HB3 ASN 83 3HB ASN 83 -9.629 -0.254 6.690 655 HD21 ASN 83 1HD2 ASN 83 -11.744 -0.886 7.673 656 HD22 ASN 83 2HD2 ASN 83 -13.197 -0.698 6.727 657 H ARG 84 H ARG 84 -9.660 1.315 2.792 658 HA ARG 84 HA ARG 84 -6.955 0.591 2.306 659 HB2 ARG 84 2HB ARG 84 -7.435 1.667 -0.017 660 HB3 ARG 84 3HB ARG 84 -8.305 0.214 0.440 661 HG2 ARG 84 2HG ARG 84 -10.331 1.340 0.842 662 HG3 ARG 84 3HG ARG 84 -9.571 2.920 0.905 663 HD2 ARG 84 2HD ARG 84 -8.891 2.068 -1.643 664 HD3 ARG 84 3HD ARG 84 -10.478 1.310 -1.409 665 HE ARG 84 HE ARG 84 -11.194 3.665 -0.667 666 HH11 ARG 84 1HH1 ARG 84 -8.801 3.167 -3.342 667 HH12 ARG 84 2HH1 ARG 84 -8.733 4.872 -3.652 668 HH21 ARG 84 1HH2 ARG 84 -11.369 5.738 -1.461 669 HH22 ARG 84 2HH2 ARG 84 -10.490 6.285 -2.840 670 H GLU 85 H GLU 85 -8.456 3.912 2.327 671 HA GLU 85 HA GLU 85 -5.873 5.049 1.883 672 HB2 GLU 85 2HB GLU 85 -6.965 7.222 2.252 673 HB3 GLU 85 3HB GLU 85 -7.776 6.207 1.050 674 HG2 GLU 85 2HG GLU 85 -9.481 5.562 2.705 675 HG3 GLU 85 3HG GLU 85 -8.623 6.537 3.926 676 H ALA 86 H ALA 86 -7.664 4.152 4.867 677 HA ALA 86 HA ALA 86 -5.955 5.676 6.561 678 HB1 ALA 86 1HB ALA 86 -8.172 4.778 7.230 679 HB2 ALA 86 2HB ALA 86 -7.513 3.126 7.153 680 HB3 ALA 86 3HB ALA 86 -6.886 4.286 8.348 681 H ALA 87 H ALA 87 -5.392 2.853 4.674 682 HA ALA 87 HA ALA 87 -3.237 1.790 6.354 683 HB1 ALA 87 1HB ALA 87 -4.121 0.990 3.550 684 HB2 ALA 87 2HB ALA 87 -3.043 0.089 4.630 685 HB3 ALA 87 3HB ALA 87 -4.760 0.302 5.037 686 H LEU 88 H LEU 88 -3.682 3.758 3.379 687 HA LEU 88 HA LEU 88 -0.951 3.733 2.598 688 HB2 LEU 88 2HB LEU 88 -1.476 5.196 0.959 689 HB3 LEU 88 3HB LEU 88 -3.062 4.569 1.313 690 HG LEU 88 HG LEU 88 -3.202 6.744 2.892 691 HD11 LEU 88 1HD1 LEU 88 -0.857 7.517 2.488 692 HD12 LEU 88 2HD1 LEU 88 -2.072 8.675 1.935 693 HD13 LEU 88 3HD1 LEU 88 -1.229 7.646 0.760 694 HD21 LEU 88 3HD2 LEU 88 -3.416 7.056 -0.118 695 HD22 LEU 88 1HD2 LEU 88 -4.321 7.926 1.159 696 HD23 LEU 88 2HD2 LEU 88 -4.617 6.230 0.864 697 H ALA 89 H ALA 89 -2.733 5.806 4.897 698 HA ALA 89 HA ALA 89 -0.673 7.661 5.444 699 HB1 ALA 89 1HB ALA 89 -1.867 8.025 7.587 700 HB2 ALA 89 2HB ALA 89 -3.003 7.931 6.225 701 HB3 ALA 89 3HB ALA 89 -2.808 6.545 7.323 702 H ARG 90 H ARG 90 -1.362 4.469 6.950 703 HA ARG 90 HA ARG 90 0.779 4.546 8.835 704 HB2 ARG 90 2HB ARG 90 -0.793 2.251 7.582 705 HB3 ARG 90 3HB ARG 90 0.376 2.016 8.879 706 HG2 ARG 90 2HG ARG 90 -0.958 3.272 10.439 707 HG3 ARG 90 3HG ARG 90 -2.054 3.837 9.164 708 HD2 ARG 90 2HD ARG 90 -2.910 1.605 8.785 709 HD3 ARG 90 3HD ARG 90 -1.678 0.904 9.842 710 HE ARG 90 HE ARG 90 -2.826 1.550 11.730 711 HH11 ARG 90 1HH1 ARG 90 -4.511 3.302 9.065 712 HH12 ARG 90 2HH1 ARG 90 -5.983 3.341 10.043 713 HH21 ARG 90 1HH2 ARG 90 -4.839 1.791 12.858 714 HH22 ARG 90 2HH2 ARG 90 -6.121 2.654 12.071 715 H LEU 91 H LEU 91 0.552 3.364 5.456 716 HA LEU 91 HA LEU 91 3.075 2.116 5.352 717 HB2 LEU 91 2HB LEU 91 1.295 1.870 3.584 718 HB3 LEU 91 3HB LEU 91 1.528 3.550 3.132 719 HG LEU 91 HG LEU 91 3.828 3.111 2.451 720 HD11 LEU 91 1HD1 LEU 91 4.518 1.286 3.844 721 HD12 LEU 91 2HD1 LEU 91 4.524 0.664 2.188 722 HD13 LEU 91 3HD1 LEU 91 3.187 0.246 3.268 723 HD21 LEU 91 3HD2 LEU 91 1.900 2.867 0.861 724 HD22 LEU 91 1HD2 LEU 91 2.037 1.112 1.080 725 HD23 LEU 91 2HD2 LEU 91 3.389 2.021 0.402 726 H VAL 92 H VAL 92 2.176 5.366 4.378 727 HA VAL 92 HA VAL 92 4.765 6.283 3.727 728 HB VAL 92 HB VAL 92 2.507 7.886 5.039 729 HG11 VAL 92 1HG1 VAL 92 4.942 8.936 3.550 730 HG12 VAL 92 2HG1 VAL 92 3.506 9.904 3.970 731 HG13 VAL 92 3HG1 VAL 92 4.508 9.227 5.248 732 HG21 VAL 92 3HG2 VAL 92 3.238 7.816 2.103 733 HG22 VAL 92 1HG2 VAL 92 1.956 6.810 2.809 734 HG23 VAL 92 2HG2 VAL 92 1.814 8.568 2.851 735 H ALA 93 H ALA 93 3.229 6.050 6.909 736 HA ALA 93 HA ALA 93 5.159 7.552 8.354 737 HB1 ALA 93 1HB ALA 93 2.909 7.088 9.239 738 HB2 ALA 93 2HB ALA 93 3.321 5.363 9.404 739 HB3 ALA 93 3HB ALA 93 4.181 6.572 10.368 740 H MET 94 H MET 94 4.776 3.953 8.344 741 HA MET 94 HA MET 94 7.253 3.418 9.687 742 HB2 MET 94 2HB MET 94 6.970 1.154 8.966 743 HB3 MET 94 3HB MET 94 5.433 1.819 9.537 744 HG2 MET 94 2HG MET 94 4.779 2.231 7.148 745 HG3 MET 94 3HG MET 94 6.235 1.386 6.644 746 HE1 MET 94 3HE MET 94 5.525 -2.264 7.855 747 HE2 MET 94 1HE MET 94 6.749 -1.081 7.326 748 HE3 MET 94 2HE MET 94 6.164 -1.077 9.008 749 H ILE 95 H ILE 95 6.600 3.920 6.178 750 HA ILE 95 HA ILE 95 9.175 3.077 5.322 751 HB ILE 95 HB ILE 95 7.056 4.966 4.249 752 HG12 ILE 95 2HG1 ILE 95 8.245 2.313 3.269 753 HG13 ILE 95 3HG1 ILE 95 6.767 2.469 4.218 754 HG21 ILE 95 1HG2 ILE 95 8.339 5.209 2.129 755 HG22 ILE 95 2HG2 ILE 95 9.125 6.001 3.481 756 HG23 ILE 95 3HG2 ILE 95 9.721 4.432 2.919 757 HD11 ILE 95 3HD1 ILE 95 5.842 3.955 2.374 758 HD12 ILE 95 1HD1 ILE 95 7.244 3.441 1.400 759 HD13 ILE 95 2HD1 ILE 95 6.098 2.237 1.941 760 H LYS 96 H LYS 96 8.001 6.245 6.540 761 HA LYS 96 HA LYS 96 10.591 7.568 6.184 762 HB2 LYS 96 2HB LYS 96 7.981 8.233 7.637 763 HB3 LYS 96 3HB LYS 96 9.386 9.289 7.707 764 HG2 LYS 96 2HG LYS 96 9.393 9.551 5.285 765 HG3 LYS 96 3HG LYS 96 8.017 8.434 5.123 766 HD2 LYS 96 2HD LYS 96 6.538 9.922 6.301 767 HD3 LYS 96 3HD LYS 96 7.896 10.920 6.848 768 HE2 LYS 96 2HE LYS 96 8.317 11.094 4.187 769 HE3 LYS 96 3HE LYS 96 6.565 10.817 4.151 770 HZ1 LYS 96 3HZ LYS 96 7.341 13.173 4.282 771 HZ2 LYS 96 1HZ LYS 96 7.909 12.890 5.767 772 HZ3 LYS 96 2HZ LYS 96 6.276 12.782 5.484 773 H GLU 97 H GLU 97 9.497 5.298 8.510 774 HA GLU 97 HA GLU 97 11.269 6.390 10.610 775 HB2 GLU 97 2HB GLU 97 9.484 3.921 10.459 776 HB3 GLU 97 3HB GLU 97 10.553 4.285 11.814 777 HG2 GLU 97 2HG GLU 97 9.401 6.409 12.209 778 HG3 GLU 97 3HG GLU 97 8.297 6.106 10.875 779 H LEU 98 H LEU 98 10.904 3.462 8.552 780 HA LEU 98 HA LEU 98 13.354 2.231 9.290 781 HB2 LEU 98 2HB LEU 98 11.802 1.936 6.684 782 HB3 LEU 98 3HB LEU 98 13.017 0.826 7.289 783 HG LEU 98 HG LEU 98 10.436 1.454 8.783 784 HD11 LEU 98 1HD1 LEU 98 9.596 -0.678 7.967 785 HD12 LEU 98 2HD1 LEU 98 11.020 -0.859 6.917 786 HD13 LEU 98 3HD1 LEU 98 9.861 0.466 6.646 787 HD21 LEU 98 3HD2 LEU 98 12.636 -0.559 9.188 788 HD22 LEU 98 1HD2 LEU 98 11.001 -0.799 9.852 789 HD23 LEU 98 2HD2 LEU 98 11.945 0.620 10.328 790 H THR 99 H THR 99 12.665 4.555 6.666 791 HA THR 99 HA THR 99 15.227 4.145 5.384 792 HB THR 99 HB THR 99 14.824 6.462 4.405 793 HG1 THR 99 1HG THR 99 12.195 6.061 5.418 794 HG21 THR 99 3HG2 THR 99 13.045 5.689 2.905 795 HG22 THR 99 1HG2 THR 99 12.733 4.309 3.999 796 HG23 THR 99 2HG2 THR 99 14.300 4.455 3.168 797 H THR 100 H THR 100 14.359 5.883 8.271 798 HA THR 100 HA THR 100 17.158 6.854 8.519 799 HB THR 100 HB THR 100 15.440 8.645 8.063 800 HG1 THR 100 1HG THR 100 17.308 9.177 9.088 801 HG21 THR 100 3HG2 THR 100 13.854 9.324 9.705 802 HG22 THR 100 1HG2 THR 100 14.427 8.119 10.877 803 HG23 THR 100 2HG2 THR 100 13.602 7.586 9.426 804 H GLU 101 H GLU 101 16.696 7.593 11.287 805 HA GLU 101 HA GLU 101 16.046 5.055 12.635 806 HB2 GLU 101 2HB GLU 101 18.670 6.547 13.068 807 HB3 GLU 101 3HB GLU 101 18.088 5.151 13.954 808 HG2 GLU 101 2HG GLU 101 19.620 4.184 12.524 809 HG3 GLU 101 3HG GLU 101 18.099 3.868 11.713 810 H LYS 102 H LYS 102 15.839 5.543 15.077 811 HA LYS 102 HA LYS 102 14.194 7.881 15.384 812 HB2 LYS 102 2HB LYS 102 14.031 5.658 16.659 813 HB3 LYS 102 3HB LYS 102 15.442 6.156 17.573 814 HG2 LYS 102 2HG LYS 102 13.478 6.625 18.887 815 HG3 LYS 102 3HG LYS 102 14.202 8.145 18.425 816 HD2 LYS 102 2HD LYS 102 11.687 8.067 18.337 817 HD3 LYS 102 3HD LYS 102 12.467 8.623 16.865 818 HE2 LYS 102 2HE LYS 102 10.598 7.176 16.314 819 HE3 LYS 102 3HE LYS 102 12.114 6.465 15.781 820 HZ1 LYS 102 3HZ LYS 102 10.705 4.848 16.739 821 HZ2 LYS 102 1HZ LYS 102 10.537 5.616 18.151 822 HZ3 LYS 102 2HZ LYS 102 12.005 4.987 17.730 823 H LYS 103 H LYS 103 14.710 9.926 16.164 824 HA LYS 103 HA LYS 103 17.383 10.435 17.340 825 HB2 LYS 103 2HB LYS 103 16.067 11.940 15.034 826 HB3 LYS 103 3HB LYS 103 17.477 12.518 15.890 827 HG2 LYS 103 2HG LYS 103 17.462 9.917 14.287 828 HG3 LYS 103 3HG LYS 103 17.828 11.491 13.626 829 HD2 LYS 103 2HD LYS 103 19.941 10.757 13.995 830 HD3 LYS 103 3HD LYS 103 19.659 11.671 15.458 831 HE2 LYS 103 2HE LYS 103 20.793 9.622 16.030 832 HE3 LYS 103 3HE LYS 103 19.140 9.512 16.648 833 HZ1 LYS 103 3HZ LYS 103 19.726 7.473 15.580 834 HZ2 LYS 103 1HZ LYS 103 20.154 8.219 14.173 835 HZ3 LYS 103 2HZ LYS 103 18.580 8.197 14.718 836 H ALA 104 H ALA 104 17.315 12.824 18.175 837 HA ALA 104 HA ALA 104 14.722 13.224 19.584 838 HB1 ALA 104 1HB ALA 104 16.714 12.796 21.019 839 HB2 ALA 104 2HB ALA 104 17.534 14.191 20.278 840 HB3 ALA 104 3HB ALA 104 16.067 14.428 21.244 841 H ARG 105 H ARG 105 14.185 15.484 19.984 842 HA ARG 105 HA ARG 105 14.056 17.015 17.623 843 HB2 ARG 105 2HB ARG 105 12.492 17.050 19.680 844 HB3 ARG 105 3HB ARG 105 13.655 18.161 20.405 845 HG2 ARG 105 2HG ARG 105 12.253 19.692 19.426 846 HG3 ARG 105 3HG ARG 105 13.387 19.452 18.108 847 HD2 ARG 105 2HD ARG 105 11.370 19.288 16.982 848 HD3 ARG 105 3HD ARG 105 11.748 17.605 17.269 849 HE ARG 105 HE ARG 105 9.868 17.426 18.556 850 HH11 ARG 105 1HH1 ARG 105 10.545 20.874 18.027 851 HH12 ARG 105 2HH1 ARG 105 9.243 21.440 18.997 852 HH21 ARG 105 1HH2 ARG 105 7.906 18.277 19.779 853 HH22 ARG 105 2HH2 ARG 105 7.821 19.978 20.018 854 H ARG 106 H ARG 106 15.792 18.095 20.571 855 HA ARG 106 HA ARG 106 17.184 20.131 19.197 856 HB2 ARG 106 2HB ARG 106 18.426 20.503 21.192 857 HB3 ARG 106 3HB ARG 106 16.801 20.097 21.644 858 HG2 ARG 106 2HG ARG 106 19.173 18.200 21.800 859 HG3 ARG 106 3HG ARG 106 18.541 19.197 23.104 860 HD2 ARG 106 2HD ARG 106 16.313 18.025 22.864 861 HD3 ARG 106 3HD ARG 106 17.118 16.875 21.764 862 HE ARG 106 HE ARG 106 18.580 17.179 24.227 863 HH11 ARG 106 1HH1 ARG 106 15.486 15.690 23.237 864 HH12 ARG 106 2HH1 ARG 106 15.894 14.181 24.030 865 HH21 ARG 106 1HH2 ARG 106 18.698 15.604 25.689 866 HH22 ARG 106 2HH2 ARG 106 17.491 14.340 25.810 867 HA PRO 107 HA PRO 107 20.468 17.991 17.230 868 HB2 PRO 107 2HB PRO 107 22.469 19.802 17.014 869 HB3 PRO 107 3HB PRO 107 20.903 20.016 16.196 870 HG2 PRO 107 2HG PRO 107 21.765 21.207 18.844 871 HG3 PRO 107 3HG PRO 107 21.046 22.049 17.428 872 HD2 PRO 107 2HD PRO 107 19.552 21.221 19.550 873 HD3 PRO 107 3HD PRO 107 18.908 21.155 17.889 874 H THR 108 H THR 108 20.709 16.380 18.986 875 HA THR 108 HA THR 108 22.643 16.817 21.085 876 HB THR 108 HB THR 108 22.217 14.384 21.531 877 HG1 THR 108 1HG THR 108 21.760 13.639 19.530 878 HG21 THR 108 3HG2 THR 108 20.797 16.244 22.472 879 HG22 THR 108 1HG2 THR 108 19.948 14.707 22.310 880 HG23 THR 108 2HG2 THR 108 19.654 15.990 21.129 881 H ARG 109 H ARG 109 23.648 17.325 18.477 882 HA ARG 109 HA ARG 109 25.816 15.333 18.117 883 HB2 ARG 109 2HB ARG 109 25.906 16.041 15.774 884 HB3 ARG 109 3HB ARG 109 24.381 15.323 16.225 885 HG2 ARG 109 2HG ARG 109 23.736 17.053 14.838 886 HG3 ARG 109 3HG ARG 109 23.409 17.692 16.432 887 HD2 ARG 109 2HD ARG 109 24.393 19.419 14.996 888 HD3 ARG 109 3HD ARG 109 25.498 19.061 16.311 889 HE ARG 109 HE ARG 109 27.048 18.292 14.835 890 HH11 ARG 109 1HH1 ARG 109 24.048 18.752 13.014 891 HH12 ARG 109 2HH1 ARG 109 24.677 18.121 11.526 892 HH21 ARG 109 1HH2 ARG 109 27.794 17.191 13.029 893 HH22 ARG 109 2HH2 ARG 109 26.938 17.210 11.524 894 H SER 110 H SER 110 25.073 18.449 19.267 895 HA SER 110 HA SER 110 27.331 19.960 18.436 896 HB2 SER 110 2HB SER 110 25.039 20.567 19.608 897 HB3 SER 110 3HB SER 110 25.889 20.185 21.104 898 HG SER 110 HG SER 110 25.984 22.318 20.691 899 H GLY 111 H GLY 111 29.236 20.553 19.892 900 HA2 GLY 111 2HA GLY 111 29.931 19.357 22.287 901 HA3 GLY 111 3HA GLY 111 30.526 18.274 21.004 902 HA PRO 112 HA PRO 112 33.428 21.985 21.611 903 HB2 PRO 112 2HB PRO 112 35.571 20.783 22.814 904 HB3 PRO 112 3HB PRO 112 34.164 21.394 23.735 905 HG2 PRO 112 2HG PRO 112 34.698 18.552 22.802 906 HG3 PRO 112 3HG PRO 112 34.214 19.103 24.437 907 HD2 PRO 112 2HD PRO 112 32.414 18.151 22.614 908 HD3 PRO 112 3HD PRO 112 31.981 19.472 23.742 909 H SER 113 H SER 113 33.667 18.707 20.323 910 HA SER 113 HA SER 113 35.376 19.622 18.125 911 HB2 SER 113 2HB SER 113 36.468 17.301 18.343 912 HB3 SER 113 3HB SER 113 36.956 18.542 19.521 913 HG SER 113 HG SER 113 36.515 16.491 20.468 914 H SER 114 H SER 114 34.726 18.564 16.152 915 HA SER 114 HA SER 114 32.847 16.443 16.011 916 HB2 SER 114 2HB SER 114 31.900 19.240 15.209 917 HB3 SER 114 3HB SER 114 31.039 17.706 14.979 918 HG SER 114 HG SER 114 31.698 18.082 17.568 919 H GLY 115 H GLY 115 32.119 16.609 13.402 920 HA2 GLY 115 2HA GLY 115 32.774 16.833 11.228 921 HA3 GLY 115 3HA GLY 115 34.085 17.929 11.716 922 H GLU 116 H GLU 116 35.086 16.462 9.940 923 HA GLU 116 HA GLU 116 36.124 13.898 11.049 924 HB2 GLU 116 2HB GLU 116 34.901 13.956 8.871 925 HB3 GLU 116 3HB GLU 116 36.165 14.998 8.210 926 HG2 GLU 116 2HG GLU 116 37.844 13.248 8.506 927 HG3 GLU 116 3HG GLU 116 36.681 12.229 9.378 928 H ASN 117 H ASN 117 37.048 17.177 10.004 929 HA ASN 117 HA ASN 117 39.652 17.012 11.204 930 HB2 ASN 117 2HB ASN 117 39.320 16.784 8.219 931 HB3 ASN 117 3HB ASN 117 40.377 18.079 8.751 932 HD21 ASN 117 1HD2 ASN 117 39.997 14.530 8.830 933 HD22 ASN 117 2HD2 ASN 117 41.683 14.266 9.220 934 H LEU 118 H LEU 118 40.585 19.312 11.086 935 HA LEU 118 HA LEU 118 38.644 21.424 10.422 936 HB2 LEU 118 2HB LEU 118 39.953 21.051 13.166 937 HB3 LEU 118 3HB LEU 118 39.346 22.576 12.558 938 HG LEU 118 HG LEU 118 37.076 21.209 12.216 939 HD11 LEU 118 1HD1 LEU 118 36.712 19.671 14.136 940 HD12 LEU 118 2HD1 LEU 118 38.435 19.765 14.550 941 HD13 LEU 118 3HD1 LEU 118 37.911 19.023 13.025 942 HD21 LEU 118 3HD2 LEU 118 36.334 22.047 14.401 943 HD22 LEU 118 1HD2 LEU 118 37.356 23.238 13.588 944 HD23 LEU 118 2HD2 LEU 118 38.023 22.262 14.913 945 H TYR 119 H TYR 119 39.749 23.362 9.919 946 HA TYR 119 HA TYR 119 42.706 23.147 9.654 947 HB2 TYR 119 2HB TYR 119 40.574 24.232 7.795 948 HB3 TYR 119 3HB TYR 119 42.186 24.927 7.801 949 HD1 TYR 119 1HD TYR 119 40.285 21.794 7.123 950 HD2 TYR 119 2HD TYR 119 44.119 23.776 6.946 951 HE1 TYR 119 1HE TYR 119 41.168 19.969 5.690 952 HE2 TYR 119 2HE TYR 119 45.002 21.972 5.542 953 HH TYR 119 HH TYR 119 44.557 19.907 4.560 954 H PHE 120 H PHE 120 43.862 24.988 10.231 955 HA PHE 120 HA PHE 120 42.460 27.281 11.435 956 HB2 PHE 120 2HB PHE 120 44.756 25.704 12.692 957 HB3 PHE 120 3HB PHE 120 44.041 27.177 13.323 958 HD1 PHE 120 1HD PHE 120 41.745 27.145 14.325 959 HD2 PHE 120 2HD PHE 120 43.645 23.526 12.949 960 HE1 PHE 120 1HE PHE 120 40.095 25.791 15.588 961 HE2 PHE 120 2HE PHE 120 41.996 22.180 14.203 962 HZ PHE 120 HZ PHE 120 40.216 23.307 15.536 963 H GLN 121 H GLN 121 43.346 29.101 10.392 964 HA GLN 121 HA GLN 121 46.088 29.106 9.516 965 HB2 GLN 121 2HB GLN 121 43.674 29.576 7.686 966 HB3 GLN 121 3HB GLN 121 45.321 30.002 7.266 967 HG2 GLN 121 2HG GLN 121 44.322 27.150 7.728 968 HG3 GLN 121 3HG GLN 121 44.482 27.931 6.167 969 HE21 GLN 121 1HE2 GLN 121 47.122 29.062 7.866 970 HE22 GLN 121 2HE2 GLN 121 48.277 27.814 7.384 Start of MODEL 5 1 H1 MET 1 H MET 1 -0.976 9.505 -4.140 2 HA MET 1 HA MET 1 0.774 9.536 -5.805 3 HB2 MET 1 2HB MET 1 1.178 12.386 -4.811 4 HB3 MET 1 3HB MET 1 2.277 11.553 -5.898 5 HG2 MET 1 2HG MET 1 -0.613 12.235 -6.478 6 HG3 MET 1 3HG MET 1 0.818 12.909 -7.237 7 HE1 MET 1 3HE MET 1 2.165 9.821 -9.333 8 HE2 MET 1 1HE MET 1 2.500 11.477 -8.784 9 HE3 MET 1 2HE MET 1 2.619 10.109 -7.646 10 H ILE 2 H ILE 2 0.394 9.331 -2.555 11 HA ILE 2 HA ILE 2 1.735 9.135 -0.748 12 HB ILE 2 HB ILE 2 2.965 6.936 -2.434 13 HG12 ILE 2 2HG1 ILE 2 0.082 7.140 -1.470 14 HG13 ILE 2 3HG1 ILE 2 0.712 6.951 -3.113 15 HG21 ILE 2 1HG2 ILE 2 2.897 5.664 -0.383 16 HG22 ILE 2 2HG2 ILE 2 3.557 7.251 0.025 17 HG23 ILE 2 3HG2 ILE 2 1.849 6.877 0.382 18 HD11 ILE 2 3HD1 ILE 2 -0.165 4.825 -2.395 19 HD12 ILE 2 1HD1 ILE 2 1.602 4.681 -2.432 20 HD13 ILE 2 2HD1 ILE 2 0.754 4.884 -0.882 21 H VAL 3 H VAL 3 2.824 11.229 -1.725 22 HA VAL 3 HA VAL 3 5.598 10.962 -2.469 23 HB VAL 3 HB VAL 3 4.180 13.353 -1.386 24 HG11 VAL 3 1HG1 VAL 3 5.957 14.723 -2.455 25 HG12 VAL 3 2HG1 VAL 3 6.570 13.706 -1.151 26 HG13 VAL 3 3HG1 VAL 3 6.831 13.217 -2.835 27 HG21 VAL 3 3HG2 VAL 3 3.311 12.420 -3.638 28 HG22 VAL 3 1HG2 VAL 3 3.549 14.145 -3.378 29 HG23 VAL 3 2HG2 VAL 3 4.742 13.240 -4.295 30 H ILE 4 H ILE 4 7.035 10.061 -1.309 31 HA ILE 4 HA ILE 4 6.977 10.204 1.624 32 HB ILE 4 HB ILE 4 8.953 8.735 -0.151 33 HG12 ILE 4 2HG1 ILE 4 6.793 7.777 -0.660 34 HG13 ILE 4 3HG1 ILE 4 7.738 6.667 0.295 35 HG21 ILE 4 1HG2 ILE 4 8.322 8.567 2.815 36 HG22 ILE 4 2HG2 ILE 4 9.279 7.367 1.938 37 HG23 ILE 4 3HG2 ILE 4 9.856 9.028 2.052 38 HD11 ILE 4 3HD1 ILE 4 6.455 7.304 2.342 39 HD12 ILE 4 1HD1 ILE 4 5.472 8.414 1.329 40 HD13 ILE 4 2HD1 ILE 4 5.428 6.668 1.057 41 H SER 5 H SER 5 9.046 11.074 -1.213 42 HA SER 5 HA SER 5 10.408 13.171 0.306 43 HB2 SER 5 2HB SER 5 11.718 11.206 0.808 44 HB3 SER 5 3HB SER 5 11.786 10.736 -0.894 45 HG SER 5 HG SER 5 13.663 11.776 0.092 46 H ARG 6 H ARG 6 11.993 14.257 -1.305 47 HA ARG 6 HA ARG 6 10.617 15.472 -3.379 48 HB2 ARG 6 2HB ARG 6 12.705 16.238 -2.219 49 HB3 ARG 6 3HB ARG 6 13.634 15.189 -3.292 50 HG2 ARG 6 2HG ARG 6 12.771 16.482 -5.257 51 HG3 ARG 6 3HG ARG 6 11.803 17.481 -4.151 52 HD2 ARG 6 2HD ARG 6 13.916 18.185 -3.001 53 HD3 ARG 6 3HD ARG 6 14.829 17.242 -4.179 54 HE ARG 6 HE ARG 6 13.037 19.333 -5.220 55 HH11 ARG 6 1HH1 ARG 6 16.339 18.782 -3.986 56 HH12 ARG 6 2HH1 ARG 6 17.127 19.805 -5.111 57 HH21 ARG 6 1HH2 ARG 6 14.117 20.992 -6.574 58 HH22 ARG 6 2HH2 ARG 6 15.811 21.261 -6.347 59 H HIS 7 H HIS 7 12.463 12.461 -3.624 60 HA HIS 7 HA HIS 7 11.666 12.262 -6.506 61 HB2 HIS 7 2HB HIS 7 14.166 11.178 -5.181 62 HB3 HIS 7 3HB HIS 7 13.732 11.031 -6.887 63 HD1 HIS 7 1HD HIS 7 13.914 13.317 -8.389 64 HD2 HIS 7 2HD HIS 7 15.122 13.529 -4.352 65 HE1 HIS 7 1HE HIS 7 15.051 15.566 -8.105 66 H VAL 8 H VAL 8 10.263 11.290 -3.898 67 HA VAL 8 HA VAL 8 9.915 8.498 -4.833 68 HB VAL 8 HB VAL 8 10.310 9.348 -1.936 69 HG11 VAL 8 1HG1 VAL 8 9.901 6.644 -3.216 70 HG12 VAL 8 2HG1 VAL 8 10.211 6.915 -1.479 71 HG13 VAL 8 3HG1 VAL 8 8.712 7.491 -2.218 72 HG21 VAL 8 3HG2 VAL 8 12.509 9.337 -2.947 73 HG22 VAL 8 1HG2 VAL 8 12.340 7.832 -2.037 74 HG23 VAL 8 2HG2 VAL 8 12.155 7.825 -3.805 75 H ALA 9 H ALA 9 7.898 8.659 -5.574 76 HA ALA 9 HA ALA 9 5.677 9.293 -3.793 77 HB1 ALA 9 1HB ALA 9 6.097 11.550 -4.325 78 HB2 ALA 9 2HB ALA 9 6.423 11.192 -6.022 79 HB3 ALA 9 3HB ALA 9 4.762 11.081 -5.370 80 H ILE 10 H ILE 10 4.729 7.414 -4.113 81 HA ILE 10 HA ILE 10 4.625 5.937 -6.594 82 HB ILE 10 HB ILE 10 2.974 5.453 -4.066 83 HG12 ILE 10 2HG1 ILE 10 5.756 4.423 -4.798 84 HG13 ILE 10 3HG1 ILE 10 5.399 5.611 -3.532 85 HG21 ILE 10 1HG2 ILE 10 2.880 3.132 -4.802 86 HG22 ILE 10 2HG2 ILE 10 2.213 4.160 -6.046 87 HG23 ILE 10 3HG2 ILE 10 3.864 3.504 -6.219 88 HD11 ILE 10 3HD1 ILE 10 4.678 2.687 -3.491 89 HD12 ILE 10 1HD1 ILE 10 5.818 3.588 -2.499 90 HD13 ILE 10 2HD1 ILE 10 4.084 3.903 -2.304 91 HA PRO 11 HA PRO 11 0.935 8.029 -8.056 92 HB2 PRO 11 2HB PRO 11 0.350 6.697 -10.323 93 HB3 PRO 11 3HB PRO 11 1.901 7.531 -10.117 94 HG2 PRO 11 2HG PRO 11 1.327 4.592 -9.556 95 HG3 PRO 11 3HG PRO 11 2.571 5.264 -10.664 96 HD2 PRO 11 2HD PRO 11 3.192 4.629 -8.108 97 HD3 PRO 11 3HD PRO 11 3.871 6.085 -8.871 98 H ASP 12 H ASP 12 0.518 5.953 -5.922 99 HA ASP 12 HA ASP 12 -1.081 4.760 -4.832 100 HB2 ASP 12 2HB ASP 12 -2.774 6.761 -6.341 101 HB3 ASP 12 3HB ASP 12 -3.473 5.629 -5.196 102 H GLY 13 H GLY 13 -0.774 4.105 -8.050 103 HA2 GLY 13 2HA GLY 13 -2.943 2.056 -8.129 104 HA3 GLY 13 3HA GLY 13 -2.169 2.830 -9.512 105 H GLU 14 H GLU 14 0.329 2.239 -7.446 106 HA GLU 14 HA GLU 14 1.069 -0.235 -8.899 107 HB2 GLU 14 2HB GLU 14 2.625 1.825 -7.305 108 HB3 GLU 14 3HB GLU 14 3.371 0.393 -7.996 109 HG2 GLU 14 2HG GLU 14 1.813 2.288 -9.798 110 HG3 GLU 14 3HG GLU 14 3.443 2.670 -9.273 111 H LEU 15 H LEU 15 -0.387 0.458 -5.913 112 HA LEU 15 HA LEU 15 1.158 -1.611 -4.451 113 HB2 LEU 15 2HB LEU 15 -1.209 -0.101 -3.358 114 HB3 LEU 15 3HB LEU 15 0.058 -0.993 -2.472 115 HG LEU 15 HG LEU 15 0.290 1.702 -3.940 116 HD11 LEU 15 1HD1 LEU 15 0.792 2.549 -1.667 117 HD12 LEU 15 2HD1 LEU 15 0.487 0.938 -1.000 118 HD13 LEU 15 3HD1 LEU 15 -0.842 1.862 -1.763 119 HD21 LEU 15 3HD2 LEU 15 2.433 0.464 -4.108 120 HD22 LEU 15 1HD2 LEU 15 2.351 0.186 -2.339 121 HD23 LEU 15 2HD2 LEU 15 2.566 1.818 -2.970 122 H GLU 16 H GLU 16 0.090 -3.379 -3.478 123 HA GLU 16 HA GLU 16 -2.080 -4.546 -5.074 124 HB2 GLU 16 2HB GLU 16 -0.042 -5.817 -4.964 125 HB3 GLU 16 3HB GLU 16 0.121 -5.551 -3.239 126 HG2 GLU 16 2HG GLU 16 -0.580 -7.733 -3.349 127 HG3 GLU 16 3HG GLU 16 -2.080 -6.901 -2.959 128 H ILE 17 H ILE 17 -4.048 -4.035 -4.214 129 HA ILE 17 HA ILE 17 -4.391 -4.073 -1.265 130 HB ILE 17 HB ILE 17 -5.737 -2.473 -3.462 131 HG12 ILE 17 2HG1 ILE 17 -5.361 -0.780 -1.496 132 HG13 ILE 17 3HG1 ILE 17 -4.172 -1.912 -0.894 133 HG21 ILE 17 1HG2 ILE 17 -7.614 -3.364 -2.197 134 HG22 ILE 17 2HG2 ILE 17 -6.820 -2.935 -0.664 135 HG23 ILE 17 3HG2 ILE 17 -7.382 -1.674 -1.784 136 HD11 ILE 17 3HD1 ILE 17 -2.830 -1.650 -2.855 137 HD12 ILE 17 1HD1 ILE 17 -4.121 -0.785 -3.713 138 HD13 ILE 17 2HD1 ILE 17 -3.303 -0.028 -2.326 139 H THR 18 H THR 18 -5.847 -5.333 -0.414 140 HA THR 18 HA THR 18 -7.611 -6.956 -2.141 141 HB THR 18 HB THR 18 -6.605 -8.768 -0.184 142 HG1 THR 18 1HG THR 18 -4.405 -8.851 -0.795 143 HG21 THR 18 3HG2 THR 18 -7.465 -9.360 -2.394 144 HG22 THR 18 1HG2 THR 18 -5.799 -9.961 -2.252 145 HG23 THR 18 2HG2 THR 18 -6.125 -8.500 -3.190 146 H ALA 19 H ALA 19 -9.423 -7.820 -1.177 147 HA ALA 19 HA ALA 19 -10.288 -6.413 1.254 148 HB1 ALA 19 1HB ALA 19 -11.694 -8.293 -0.726 149 HB2 ALA 19 2HB ALA 19 -12.484 -7.438 0.600 150 HB3 ALA 19 3HB ALA 19 -11.782 -6.513 -0.740 151 H ILE 20 H ILE 20 -10.553 -7.331 3.203 152 HA ILE 20 HA ILE 20 -10.140 -10.258 3.455 153 HB ILE 20 HB ILE 20 -8.983 -9.564 5.654 154 HG12 ILE 20 2HG1 ILE 20 -8.191 -7.100 4.072 155 HG13 ILE 20 3HG1 ILE 20 -9.391 -7.116 5.356 156 HG21 ILE 20 1HG2 ILE 20 -7.962 -10.773 3.742 157 HG22 ILE 20 2HG2 ILE 20 -7.539 -9.215 3.001 158 HG23 ILE 20 3HG2 ILE 20 -6.801 -9.719 4.550 159 HD11 ILE 20 3HD1 ILE 20 -7.685 -7.958 6.956 160 HD12 ILE 20 1HD1 ILE 20 -6.441 -7.817 5.697 161 HD13 ILE 20 2HD1 ILE 20 -7.276 -6.374 6.285 162 H ARG 21 H ARG 21 -11.203 -11.213 5.143 163 HA ARG 21 HA ARG 21 -13.230 -9.609 6.552 164 HB2 ARG 21 2HB ARG 21 -15.049 -10.959 5.906 165 HB3 ARG 21 3HB ARG 21 -14.200 -10.538 4.424 166 HG2 ARG 21 2HG ARG 21 -13.036 -12.868 4.660 167 HG3 ARG 21 3HG ARG 21 -14.259 -13.200 5.885 168 HD2 ARG 21 2HD ARG 21 -15.128 -14.113 3.923 169 HD3 ARG 21 3HD ARG 21 -16.013 -12.591 4.122 170 HE ARG 21 HE ARG 21 -13.610 -12.421 2.454 171 HH11 ARG 21 1HH1 ARG 21 -16.989 -13.496 2.343 172 HH12 ARG 21 2HH1 ARG 21 -17.237 -13.014 0.695 173 HH21 ARG 21 1HH2 ARG 21 -13.873 -11.922 0.230 174 HH22 ARG 21 2HH2 ARG 21 -15.346 -12.337 -0.593 175 H ALA 22 H ALA 22 -13.611 -10.304 8.595 176 HA ALA 22 HA ALA 22 -11.800 -12.329 9.706 177 HB1 ALA 22 1HB ALA 22 -12.221 -10.157 10.915 178 HB2 ALA 22 2HB ALA 22 -13.931 -10.652 11.079 179 HB3 ALA 22 3HB ALA 22 -12.656 -11.578 11.875 180 H GLN 23 H GLN 23 -12.790 -13.967 11.226 181 HA GLN 23 HA GLN 23 -15.461 -15.009 10.398 182 HB2 GLN 23 2HB GLN 23 -12.791 -16.440 10.669 183 HB3 GLN 23 3HB GLN 23 -14.346 -17.286 10.578 184 HG2 GLN 23 2HG GLN 23 -14.760 -16.332 8.350 185 HG3 GLN 23 3HG GLN 23 -13.262 -15.411 8.429 186 HE21 GLN 23 1HE2 GLN 23 -14.317 -18.868 8.816 187 HE22 GLN 23 2HE2 GLN 23 -12.852 -19.509 8.047 188 H GLY 24 H GLY 24 -16.146 -16.771 12.055 189 HA2 GLY 24 2HA GLY 24 -16.067 -15.623 14.712 190 HA3 GLY 24 3HA GLY 24 -16.925 -17.074 14.191 191 H ALA 25 H ALA 25 -13.549 -15.944 14.603 192 HA ALA 25 HA ALA 25 -12.627 -18.656 15.402 193 HB1 ALA 25 1HB ALA 25 -11.082 -16.048 14.997 194 HB2 ALA 25 2HB ALA 25 -10.391 -17.668 15.224 195 HB3 ALA 25 3HB ALA 25 -11.309 -17.302 13.762 196 H GLY 26 H GLY 26 -11.299 -18.819 17.389 197 HA2 GLY 26 2HA GLY 26 -12.205 -17.039 19.623 198 HA3 GLY 26 3HA GLY 26 -11.708 -18.734 19.763 199 H GLY 27 H GLY 27 -10.499 -16.476 21.255 200 HA2 GLY 27 2HA GLY 27 -7.790 -17.101 20.968 201 HA3 GLY 27 3HA GLY 27 -8.091 -15.579 20.099 202 H GLN 28 H GLN 28 -6.434 -15.370 22.155 203 HA GLN 28 HA GLN 28 -7.381 -15.005 24.764 204 HB2 GLN 28 2HB GLN 28 -5.186 -13.655 23.148 205 HB3 GLN 28 3HB GLN 28 -5.435 -13.287 24.847 206 HG2 GLN 28 2HG GLN 28 -5.082 -16.176 23.993 207 HG3 GLN 28 3HG GLN 28 -3.685 -15.113 24.139 208 HE21 GLN 28 1HE2 GLN 28 -2.981 -14.428 26.178 209 HE22 GLN 28 2HE2 GLN 28 -3.691 -14.957 27.674 210 H HIS 29 H HIS 29 -7.109 -12.613 22.128 211 HA HIS 29 HA HIS 29 -9.245 -10.960 23.361 212 HB2 HIS 29 2HB HIS 29 -6.625 -9.849 22.313 213 HB3 HIS 29 3HB HIS 29 -7.944 -8.940 23.034 214 HD1 HIS 29 1HD HIS 29 -4.634 -9.996 23.940 215 HD2 HIS 29 2HD HIS 29 -8.422 -10.136 25.793 216 HE1 HIS 29 1HE HIS 29 -4.203 -10.278 26.421 217 H VAL 30 H VAL 30 -10.400 -12.197 21.693 218 HA VAL 30 HA VAL 30 -9.722 -12.159 18.953 219 HB VAL 30 HB VAL 30 -11.279 -13.730 20.000 220 HG11 VAL 30 1HG1 VAL 30 -13.332 -11.469 20.095 221 HG12 VAL 30 2HG1 VAL 30 -13.561 -13.161 20.576 222 HG13 VAL 30 3HG1 VAL 30 -12.484 -12.132 21.507 223 HG21 VAL 30 3HG2 VAL 30 -11.455 -13.343 17.532 224 HG22 VAL 30 1HG2 VAL 30 -12.971 -13.848 18.306 225 HG23 VAL 30 2HG2 VAL 30 -12.738 -12.161 17.861 226 H ASN 31 H ASN 31 -10.311 -10.827 17.256 227 HA ASN 31 HA ASN 31 -10.737 -7.997 17.904 228 HB2 ASN 31 2HB ASN 31 -10.306 -7.568 15.633 229 HB3 ASN 31 3HB ASN 31 -9.261 -8.939 15.975 230 HD21 ASN 31 1HD2 ASN 31 -10.039 -11.110 15.192 231 HD22 ASN 31 2HD2 ASN 31 -11.179 -11.165 13.854 232 H LYS 32 H LYS 32 -12.526 -6.734 16.933 233 HA LYS 32 HA LYS 32 -14.968 -8.345 16.356 234 HB2 LYS 32 2HB LYS 32 -14.912 -7.574 18.711 235 HB3 LYS 32 3HB LYS 32 -14.932 -5.897 18.152 236 HG2 LYS 32 2HG LYS 32 -17.136 -6.134 17.221 237 HG3 LYS 32 3HG LYS 32 -17.065 -7.900 17.309 238 HD2 LYS 32 2HD LYS 32 -17.145 -7.833 19.749 239 HD3 LYS 32 3HD LYS 32 -16.955 -6.076 19.736 240 HE2 LYS 32 2HE LYS 32 -19.253 -6.657 20.196 241 HE3 LYS 32 3HE LYS 32 -19.127 -5.775 18.670 242 HZ1 LYS 32 3HZ LYS 32 -20.613 -7.761 18.739 243 HZ2 LYS 32 1HZ LYS 32 -19.322 -8.729 18.802 244 HZ3 LYS 32 2HZ LYS 32 -19.550 -7.771 17.477 245 H THR 33 H THR 33 -13.458 -7.633 14.301 246 HA THR 33 HA THR 33 -15.100 -5.585 12.989 247 HB THR 33 HB THR 33 -13.020 -4.492 13.843 248 HG1 THR 33 1HG THR 33 -13.911 -3.619 12.151 249 HG21 THR 33 3HG2 THR 33 -10.856 -4.935 12.868 250 HG22 THR 33 1HG2 THR 33 -11.499 -6.298 11.923 251 HG23 THR 33 2HG2 THR 33 -11.424 -6.368 13.698 252 H SER 34 H SER 34 -14.640 -5.860 10.476 253 HA SER 34 HA SER 34 -13.719 -8.528 9.790 254 HB2 SER 34 2HB SER 34 -16.600 -8.029 9.025 255 HB3 SER 34 3HB SER 34 -15.652 -9.492 8.879 256 HG SER 34 HG SER 34 -15.599 -8.969 11.426 257 H THR 35 H THR 35 -15.762 -5.838 8.513 258 HA THR 35 HA THR 35 -14.746 -6.090 5.856 259 HB THR 35 HB THR 35 -15.983 -3.651 7.194 260 HG1 THR 35 1HG THR 35 -17.332 -5.471 7.499 261 HG21 THR 35 3HG2 THR 35 -16.020 -4.665 4.324 262 HG22 THR 35 1HG2 THR 35 -15.027 -3.322 4.931 263 HG23 THR 35 2HG2 THR 35 -16.792 -3.178 4.914 264 H ALA 36 H ALA 36 -12.466 -6.102 5.859 265 HA ALA 36 HA ALA 36 -11.154 -3.480 6.552 266 HB1 ALA 36 1HB ALA 36 -10.889 -5.265 8.340 267 HB2 ALA 36 2HB ALA 36 -10.243 -6.378 7.160 268 HB3 ALA 36 3HB ALA 36 -9.320 -4.908 7.551 269 H ILE 37 H ILE 37 -8.790 -3.550 5.782 270 HA ILE 37 HA ILE 37 -8.677 -4.731 3.040 271 HB ILE 37 HB ILE 37 -8.049 -1.902 3.931 272 HG12 ILE 37 2HG1 ILE 37 -10.403 -2.367 3.194 273 HG13 ILE 37 3HG1 ILE 37 -9.598 -1.201 2.178 274 HG21 ILE 37 1HG2 ILE 37 -7.200 -1.530 1.573 275 HG22 ILE 37 2HG2 ILE 37 -6.137 -2.380 2.675 276 HG23 ILE 37 3HG2 ILE 37 -7.047 -3.292 1.461 277 HD11 ILE 37 3HD1 ILE 37 -9.131 -3.016 0.492 278 HD12 ILE 37 1HD1 ILE 37 -10.105 -4.120 1.501 279 HD13 ILE 37 2HD1 ILE 37 -10.832 -2.665 0.787 280 H HIS 38 H HIS 38 -6.822 -5.456 2.374 281 HA HIS 38 HA HIS 38 -4.548 -5.594 4.252 282 HB2 HIS 38 2HB HIS 38 -5.679 -7.783 3.593 283 HB3 HIS 38 3HB HIS 38 -5.276 -7.438 1.916 284 HD1 HIS 38 1HD HIS 38 -2.610 -7.799 1.251 285 HD2 HIS 38 2HD HIS 38 -3.701 -8.399 5.290 286 HE1 HIS 38 1HE HIS 38 -0.585 -8.754 2.425 287 H LEU 39 H LEU 39 -3.002 -4.182 3.570 288 HA LEU 39 HA LEU 39 -2.919 -3.398 0.673 289 HB2 LEU 39 2HB LEU 39 -3.444 -1.492 2.041 290 HB3 LEU 39 3HB LEU 39 -2.148 -1.855 3.180 291 HG LEU 39 HG LEU 39 -1.398 -1.442 0.275 292 HD11 LEU 39 1HD1 LEU 39 -2.009 0.848 2.186 293 HD12 LEU 39 2HD1 LEU 39 -2.965 0.413 0.750 294 HD13 LEU 39 3HD1 LEU 39 -1.314 0.992 0.568 295 HD21 LEU 39 3HD2 LEU 39 0.591 -0.368 1.272 296 HD22 LEU 39 1HD2 LEU 39 0.428 -1.973 1.946 297 HD23 LEU 39 2HD2 LEU 39 -0.084 -0.555 2.899 298 H ARG 40 H ARG 40 -1.083 -4.020 -0.374 299 HA ARG 40 HA ARG 40 1.223 -4.926 1.222 300 HB2 ARG 40 2HB ARG 40 -0.181 -6.829 0.534 301 HB3 ARG 40 3HB ARG 40 -0.138 -6.298 -1.145 302 HG2 ARG 40 2HG ARG 40 2.296 -6.689 -1.233 303 HG3 ARG 40 3HG ARG 40 2.297 -7.069 0.496 304 HD2 ARG 40 2HD ARG 40 2.008 -9.209 -0.049 305 HD3 ARG 40 3HD ARG 40 0.362 -8.809 -0.489 306 HE ARG 40 HE ARG 40 1.150 -8.414 -2.812 307 HH11 ARG 40 1HH1 ARG 40 3.219 -10.477 -0.742 308 HH12 ARG 40 2HH1 ARG 40 4.213 -10.945 -2.069 309 HH21 ARG 40 1HH2 ARG 40 2.393 -9.257 -4.525 310 HH22 ARG 40 2HH2 ARG 40 3.653 -10.385 -4.212 311 H PHE 41 H PHE 41 3.034 -4.169 0.469 312 HA PHE 41 HA PHE 41 3.248 -2.842 -2.166 313 HB2 PHE 41 2HB PHE 41 3.018 -1.050 -0.548 314 HB3 PHE 41 3HB PHE 41 4.164 -1.821 0.553 315 HD1 PHE 41 2HD PHE 41 4.026 -0.827 -3.068 316 HD2 PHE 41 1HD PHE 41 6.408 -1.090 0.505 317 HE1 PHE 41 2HE PHE 41 5.870 0.269 -4.258 318 HE2 PHE 41 1HE PHE 41 8.340 -0.136 -0.739 319 HZ PHE 41 HZ PHE 41 8.050 0.565 -3.119 320 H ASP 42 H ASP 42 4.500 -4.263 -3.222 321 HA ASP 42 HA ASP 42 6.658 -5.751 -1.905 322 HB2 ASP 42 2HB ASP 42 5.639 -5.797 -4.746 323 HB3 ASP 42 3HB ASP 42 6.997 -6.755 -4.166 324 H ILE 43 H ILE 43 8.292 -4.488 -1.446 325 HA ILE 43 HA ILE 43 9.204 -2.127 -2.606 326 HB ILE 43 HB ILE 43 10.673 -4.370 -1.150 327 HG12 ILE 43 2HG1 ILE 43 10.174 -1.687 0.078 328 HG13 ILE 43 3HG1 ILE 43 8.768 -2.743 -0.080 329 HG21 ILE 43 1HG2 ILE 43 12.419 -3.246 -2.290 330 HG22 ILE 43 2HG2 ILE 43 11.696 -1.666 -1.964 331 HG23 ILE 43 3HG2 ILE 43 12.436 -2.609 -0.644 332 HD11 ILE 43 3HD1 ILE 43 9.905 -3.023 2.111 333 HD12 ILE 43 1HD1 ILE 43 9.818 -4.512 1.183 334 HD13 ILE 43 2HD1 ILE 43 11.355 -3.621 1.274 335 H ARG 44 H ARG 44 10.373 -5.468 -3.241 336 HA ARG 44 HA ARG 44 12.269 -4.695 -5.237 337 HB2 ARG 44 2HB ARG 44 10.891 -7.332 -4.634 338 HB3 ARG 44 3HB ARG 44 12.211 -7.156 -5.806 339 HG2 ARG 44 2HG ARG 44 13.742 -6.393 -4.049 340 HG3 ARG 44 3HG ARG 44 12.427 -6.343 -2.874 341 HD2 ARG 44 2HD ARG 44 12.979 -8.372 -2.259 342 HD3 ARG 44 3HD ARG 44 12.255 -8.967 -3.749 343 HE ARG 44 HE ARG 44 15.026 -8.861 -2.937 344 HH11 ARG 44 1HH1 ARG 44 12.973 -9.242 -5.839 345 HH12 ARG 44 2HH1 ARG 44 14.328 -9.460 -6.901 346 HH21 ARG 44 1HH2 ARG 44 16.793 -9.341 -4.375 347 HH22 ARG 44 2HH2 ARG 44 16.442 -9.656 -6.034 348 H ALA 45 H ALA 45 8.804 -5.198 -5.508 349 HA ALA 45 HA ALA 45 8.930 -5.292 -8.444 350 HB1 ALA 45 1HB ALA 45 6.506 -5.149 -6.636 351 HB2 ALA 45 2HB ALA 45 6.579 -5.723 -8.308 352 HB3 ALA 45 3HB ALA 45 7.336 -6.680 -7.015 353 H SER 46 H SER 46 9.323 -2.759 -6.305 354 HA SER 46 HA SER 46 7.485 -0.949 -7.751 355 HB2 SER 46 2HB SER 46 7.724 0.524 -5.905 356 HB3 SER 46 3HB SER 46 7.465 -1.108 -5.261 357 HG SER 46 HG SER 46 9.705 -1.261 -4.900 358 H SER 47 H SER 47 8.226 1.251 -8.140 359 HA SER 47 HA SER 47 10.733 1.373 -9.611 360 HB2 SER 47 2HB SER 47 8.743 3.621 -9.219 361 HB3 SER 47 3HB SER 47 9.805 3.308 -10.595 362 HG SER 47 HG SER 47 8.501 1.487 -11.101 363 H LEU 48 H LEU 48 10.365 1.588 -6.411 364 HA LEU 48 HA LEU 48 11.238 4.161 -5.641 365 HB2 LEU 48 2HB LEU 48 11.682 1.385 -4.422 366 HB3 LEU 48 3HB LEU 48 12.218 2.833 -3.622 367 HG LEU 48 HG LEU 48 9.330 2.124 -4.259 368 HD11 LEU 48 1HD1 LEU 48 10.410 0.832 -2.445 369 HD12 LEU 48 2HD1 LEU 48 9.240 1.961 -1.764 370 HD13 LEU 48 3HD1 LEU 48 10.959 2.342 -1.679 371 HD21 LEU 48 3HD2 LEU 48 9.625 4.560 -4.347 372 HD22 LEU 48 1HD2 LEU 48 10.472 4.527 -2.784 373 HD23 LEU 48 2HD2 LEU 48 8.729 4.084 -2.920 374 HA PRO 49 HA PRO 49 15.501 4.317 -6.695 375 HB2 PRO 49 2HB PRO 49 16.648 5.636 -4.567 376 HB3 PRO 49 3HB PRO 49 15.617 6.436 -5.788 377 HG2 PRO 49 2HG PRO 49 14.838 5.468 -3.064 378 HG3 PRO 49 3HG PRO 49 14.448 7.035 -3.837 379 HD2 PRO 49 2HD PRO 49 12.690 4.966 -3.795 380 HD3 PRO 49 3HD PRO 49 12.787 6.034 -5.208 381 H GLU 50 H GLU 50 17.357 3.059 -6.333 382 HA GLU 50 HA GLU 50 17.181 0.673 -4.923 383 HB2 GLU 50 2HB GLU 50 19.521 0.355 -5.430 384 HB3 GLU 50 3HB GLU 50 18.663 1.091 -6.795 385 HG2 GLU 50 2HG GLU 50 19.512 3.361 -5.918 386 HG3 GLU 50 3HG GLU 50 20.513 2.442 -4.780 387 H TYR 51 H TYR 51 18.487 3.794 -3.763 388 HA TYR 51 HA TYR 51 19.700 2.913 -1.397 389 HB2 TYR 51 2HB TYR 51 19.756 5.220 -2.338 390 HB3 TYR 51 3HB TYR 51 18.101 5.475 -1.833 391 HD1 TYR 51 2HD TYR 51 17.562 5.502 0.701 392 HD2 TYR 51 1HD TYR 51 21.597 5.380 -0.852 393 HE1 TYR 51 2HE TYR 51 18.419 6.319 2.871 394 HE2 TYR 51 1HE TYR 51 22.452 6.185 1.299 395 HH TYR 51 HH TYR 51 21.893 7.010 3.399 396 H TYR 52 H TYR 52 16.278 3.783 -2.030 397 HA TYR 52 HA TYR 52 15.390 3.202 0.663 398 HB2 TYR 52 2HB TYR 52 13.927 3.639 -1.956 399 HB3 TYR 52 3HB TYR 52 13.101 2.996 -0.561 400 HD1 TYR 52 2HD TYR 52 15.662 5.823 -0.863 401 HD2 TYR 52 1HD TYR 52 11.667 4.603 0.260 402 HE1 TYR 52 2HE TYR 52 15.219 8.070 -0.007 403 HE2 TYR 52 1HE TYR 52 11.233 6.870 1.095 404 HH TYR 52 HH TYR 52 13.677 9.481 1.037 405 H LYS 53 H LYS 53 15.656 1.280 -2.406 406 HA LYS 53 HA LYS 53 14.103 -0.922 -1.542 407 HB2 LYS 53 2HB LYS 53 16.615 -1.034 -3.259 408 HB3 LYS 53 3HB LYS 53 15.412 -2.291 -3.122 409 HG2 LYS 53 2HG LYS 53 14.778 0.453 -4.268 410 HG3 LYS 53 3HG LYS 53 15.390 -0.886 -5.215 411 HD2 LYS 53 2HD LYS 53 13.380 -2.243 -4.451 412 HD3 LYS 53 3HD LYS 53 12.786 -0.770 -3.669 413 HE2 LYS 53 2HE LYS 53 11.663 -0.965 -5.761 414 HE3 LYS 53 3HE LYS 53 12.790 0.387 -5.888 415 HZ1 LYS 53 3HZ LYS 53 12.693 -1.128 -7.814 416 HZ2 LYS 53 1HZ LYS 53 13.393 -2.320 -6.896 417 HZ3 LYS 53 2HZ LYS 53 14.210 -0.938 -7.227 418 H GLU 54 H GLU 54 17.634 -0.461 -1.254 419 HA GLU 54 HA GLU 54 18.108 -2.738 0.340 420 HB2 GLU 54 2HB GLU 54 19.541 -0.051 0.359 421 HB3 GLU 54 3HB GLU 54 20.167 -1.574 1.025 422 HG2 GLU 54 2HG GLU 54 19.990 -2.602 -1.194 423 HG3 GLU 54 3HG GLU 54 19.480 -1.097 -1.911 424 H ARG 55 H ARG 55 17.291 0.555 1.249 425 HA ARG 55 HA ARG 55 17.594 0.268 4.081 426 HB2 ARG 55 2HB ARG 55 16.398 2.302 2.324 427 HB3 ARG 55 3HB ARG 55 15.444 2.088 3.775 428 HG2 ARG 55 2HG ARG 55 17.080 3.873 4.083 429 HG3 ARG 55 3HG ARG 55 17.356 2.531 5.192 430 HD2 ARG 55 2HD ARG 55 19.037 1.730 3.360 431 HD3 ARG 55 3HD ARG 55 18.969 3.394 2.783 432 HE ARG 55 HE ARG 55 19.428 3.283 5.630 433 HH11 ARG 55 1HH1 ARG 55 21.259 2.402 2.750 434 HH12 ARG 55 2HH1 ARG 55 22.713 3.157 3.235 435 HH21 ARG 55 1HH2 ARG 55 21.423 4.123 6.439 436 HH22 ARG 55 2HH2 ARG 55 22.818 4.130 5.446 437 H LEU 56 H LEU 56 14.545 -0.081 2.201 438 HA LEU 56 HA LEU 56 13.124 -0.987 4.568 439 HB2 LEU 56 2HB LEU 56 12.376 -1.324 1.637 440 HB3 LEU 56 3HB LEU 56 11.311 -1.518 3.021 441 HG LEU 56 HG LEU 56 12.561 1.026 1.901 442 HD11 LEU 56 1HD1 LEU 56 10.344 1.851 1.677 443 HD12 LEU 56 2HD1 LEU 56 9.691 0.486 2.615 444 HD13 LEU 56 3HD1 LEU 56 10.350 0.206 1.016 445 HD21 LEU 56 3HD2 LEU 56 12.917 1.389 4.211 446 HD22 LEU 56 1HD2 LEU 56 11.266 0.835 4.621 447 HD23 LEU 56 2HD2 LEU 56 11.533 2.337 3.695 448 H LEU 57 H LEU 57 15.185 -2.666 2.218 449 HA LEU 57 HA LEU 57 14.083 -5.300 2.875 450 HB2 LEU 57 2HB LEU 57 16.451 -4.234 1.321 451 HB3 LEU 57 3HB LEU 57 16.413 -5.934 1.757 452 HG LEU 57 HG LEU 57 14.068 -4.630 0.312 453 HD11 LEU 57 1HD1 LEU 57 15.055 -5.500 -1.776 454 HD12 LEU 57 2HD1 LEU 57 16.510 -5.996 -0.869 455 HD13 LEU 57 3HD1 LEU 57 16.118 -4.277 -0.990 456 HD21 LEU 57 3HD2 LEU 57 13.622 -6.834 1.350 457 HD22 LEU 57 1HD2 LEU 57 15.084 -7.493 0.603 458 HD23 LEU 57 2HD2 LEU 57 13.720 -7.009 -0.413 459 H ALA 58 H ALA 58 16.546 -3.142 4.069 460 HA ALA 58 HA ALA 58 17.780 -5.116 5.865 461 HB1 ALA 58 1HB ALA 58 19.278 -3.215 6.417 462 HB2 ALA 58 2HB ALA 58 19.184 -3.454 4.658 463 HB3 ALA 58 3HB ALA 58 18.276 -2.145 5.411 464 H ALA 59 H ALA 59 15.133 -3.034 5.927 465 HA ALA 59 HA ALA 59 15.039 -1.880 8.429 466 HB1 ALA 59 1HB ALA 59 12.857 -3.092 6.687 467 HB2 ALA 59 2HB ALA 59 12.488 -2.226 8.142 468 HB3 ALA 59 3HB ALA 59 13.315 -1.362 6.830 469 H SER 60 H SER 60 14.122 -2.405 10.382 470 HA SER 60 HA SER 60 13.882 -5.308 11.046 471 HB2 SER 60 2HB SER 60 15.865 -3.966 11.877 472 HB3 SER 60 3HB SER 60 14.747 -2.974 12.801 473 HG SER 60 HG SER 60 15.921 -4.951 13.652 474 H HIS 61 H HIS 61 11.613 -5.264 10.505 475 HA HIS 61 HA HIS 61 9.949 -3.848 12.466 476 HB2 HIS 61 2HB HIS 61 9.990 -2.764 9.980 477 HB3 HIS 61 3HB HIS 61 8.847 -4.024 9.689 478 HD1 HIS 61 1HD HIS 61 6.939 -4.048 12.145 479 HD2 HIS 61 2HD HIS 61 8.695 -0.551 10.546 480 HE1 HIS 61 1HE HIS 61 5.511 -2.132 12.892 481 H HIS 62 H HIS 62 8.630 -5.245 13.392 482 HA HIS 62 HA HIS 62 8.356 -7.968 12.644 483 HB2 HIS 62 2HB HIS 62 6.688 -8.003 14.470 484 HB3 HIS 62 3HB HIS 62 8.140 -7.122 14.935 485 HD1 HIS 62 1HD HIS 62 7.907 -4.389 15.074 486 HD2 HIS 62 2HD HIS 62 4.380 -6.624 14.456 487 HE1 HIS 62 1HE HIS 62 5.970 -2.765 15.344 488 H LEU 63 H LEU 63 7.209 -5.550 10.792 489 HA LEU 63 HA LEU 63 4.631 -6.858 10.083 490 HB2 LEU 63 2HB LEU 63 5.293 -3.909 9.849 491 HB3 LEU 63 3HB LEU 63 3.812 -4.693 9.305 492 HG LEU 63 HG LEU 63 4.734 -4.518 12.195 493 HD11 LEU 63 1HD1 LEU 63 3.911 -2.357 11.042 494 HD12 LEU 63 2HD1 LEU 63 3.122 -2.843 12.551 495 HD13 LEU 63 3HD1 LEU 63 2.323 -3.143 11.010 496 HD21 LEU 63 3HD2 LEU 63 2.400 -5.272 12.702 497 HD22 LEU 63 1HD2 LEU 63 3.365 -6.523 11.915 498 HD23 LEU 63 2HD2 LEU 63 2.162 -5.613 10.973 499 H ILE 64 H ILE 64 7.865 -6.286 9.005 500 HA ILE 64 HA ILE 64 6.956 -6.269 6.175 501 HB ILE 64 HB ILE 64 9.600 -5.572 7.509 502 HG12 ILE 64 2HG1 ILE 64 7.502 -3.911 6.044 503 HG13 ILE 64 3HG1 ILE 64 7.746 -3.886 7.772 504 HG21 ILE 64 1HG2 ILE 64 10.003 -6.624 5.356 505 HG22 ILE 64 2HG2 ILE 64 8.789 -5.591 4.554 506 HG23 ILE 64 3HG2 ILE 64 10.308 -4.921 5.201 507 HD11 ILE 64 3HD1 ILE 64 9.754 -2.916 5.707 508 HD12 ILE 64 1HD1 ILE 64 8.795 -1.971 6.838 509 HD13 ILE 64 2HD1 ILE 64 10.060 -3.070 7.457 510 H SER 65 H SER 65 7.420 -7.912 4.838 511 HA SER 65 HA SER 65 8.218 -10.476 5.994 512 HB2 SER 65 2HB SER 65 7.329 -9.582 3.226 513 HB3 SER 65 3HB SER 65 7.644 -11.265 3.668 514 HG SER 65 HG SER 65 5.397 -10.259 3.778 515 H SER 66 H SER 66 10.030 -11.618 5.395 516 HA SER 66 HA SER 66 12.409 -10.333 4.782 517 HB2 SER 66 2HB SER 66 11.584 -13.260 4.658 518 HB3 SER 66 3HB SER 66 13.237 -12.641 4.829 519 HG SER 66 HG SER 66 12.930 -12.254 6.815 520 H ASP 67 H ASP 67 10.067 -10.919 2.452 521 HA ASP 67 HA ASP 67 12.007 -11.595 0.288 522 HB2 ASP 67 2HB ASP 67 8.988 -11.763 0.462 523 HB3 ASP 67 3HB ASP 67 9.862 -11.924 -1.055 524 H GLY 68 H GLY 68 11.044 -8.781 1.686 525 HA2 GLY 68 2HA GLY 68 11.474 -6.600 0.756 526 HA3 GLY 68 3HA GLY 68 11.508 -7.328 -0.851 527 H VAL 69 H VAL 69 8.976 -7.546 1.750 528 HA VAL 69 HA VAL 69 7.264 -5.804 0.193 529 HB VAL 69 HB VAL 69 6.812 -7.658 -1.069 530 HG11 VAL 69 1HG1 VAL 69 6.447 -9.469 1.295 531 HG12 VAL 69 2HG1 VAL 69 6.180 -9.843 -0.426 532 HG13 VAL 69 3HG1 VAL 69 7.804 -9.475 0.128 533 HG21 VAL 69 3HG2 VAL 69 4.478 -8.161 -0.690 534 HG22 VAL 69 1HG2 VAL 69 4.601 -7.670 1.016 535 HG23 VAL 69 2HG2 VAL 69 4.778 -6.474 -0.284 536 H ILE 70 H ILE 70 5.947 -4.700 1.370 537 HA ILE 70 HA ILE 70 5.899 -5.092 4.320 538 HB ILE 70 HB ILE 70 5.263 -2.651 2.580 539 HG12 ILE 70 2HG1 ILE 70 7.834 -3.510 3.914 540 HG13 ILE 70 3HG1 ILE 70 7.548 -3.028 2.254 541 HG21 ILE 70 1HG2 ILE 70 5.592 -2.852 5.599 542 HG22 ILE 70 2HG2 ILE 70 5.325 -1.353 4.675 543 HG23 ILE 70 3HG2 ILE 70 4.074 -2.567 4.722 544 HD11 ILE 70 3HD1 ILE 70 8.811 -1.344 3.418 545 HD12 ILE 70 1HD1 ILE 70 7.221 -0.680 2.973 546 HD13 ILE 70 2HD1 ILE 70 7.581 -1.161 4.658 547 H VAL 71 H VAL 71 3.833 -5.253 5.369 548 HA VAL 71 HA VAL 71 1.450 -5.064 3.644 549 HB VAL 71 HB VAL 71 0.495 -7.001 4.920 550 HG11 VAL 71 1HG1 VAL 71 1.517 -8.685 3.457 551 HG12 VAL 71 2HG1 VAL 71 1.176 -7.176 2.595 552 HG13 VAL 71 3HG1 VAL 71 2.844 -7.554 3.073 553 HG21 VAL 71 3HG2 VAL 71 3.402 -7.661 5.570 554 HG22 VAL 71 1HG2 VAL 71 2.196 -7.109 6.748 555 HG23 VAL 71 2HG2 VAL 71 1.963 -8.650 5.910 556 H ILE 72 H ILE 72 -0.381 -4.279 4.637 557 HA ILE 72 HA ILE 72 -0.236 -3.381 7.450 558 HB ILE 72 HB ILE 72 -0.802 -1.693 4.994 559 HG12 ILE 72 2HG1 ILE 72 0.886 -0.905 7.366 560 HG13 ILE 72 3HG1 ILE 72 1.573 -2.018 6.188 561 HG21 ILE 72 1HG2 ILE 72 -2.613 -1.165 6.609 562 HG22 ILE 72 2HG2 ILE 72 -1.410 -0.953 7.906 563 HG23 ILE 72 3HG2 ILE 72 -1.458 0.153 6.528 564 HD11 ILE 72 3HD1 ILE 72 2.178 0.287 5.845 565 HD12 ILE 72 1HD1 ILE 72 1.469 -0.508 4.440 566 HD13 ILE 72 2HD1 ILE 72 0.494 0.654 5.389 567 H LYS 73 H LYS 73 -2.301 -3.481 8.440 568 HA LYS 73 HA LYS 73 -4.544 -4.459 6.748 569 HB2 LYS 73 2HB LYS 73 -3.849 -5.535 9.505 570 HB3 LYS 73 3HB LYS 73 -5.176 -6.046 8.448 571 HG2 LYS 73 2HG LYS 73 -3.440 -6.654 6.691 572 HG3 LYS 73 3HG LYS 73 -2.188 -6.289 7.883 573 HD2 LYS 73 2HD LYS 73 -3.274 -8.049 9.372 574 HD3 LYS 73 3HD LYS 73 -4.160 -8.588 7.914 575 HE2 LYS 73 2HE LYS 73 -2.113 -8.990 6.714 576 HE3 LYS 73 3HE LYS 73 -1.137 -8.129 7.910 577 HZ1 LYS 73 3HZ LYS 73 -1.795 -9.953 9.500 578 HZ2 LYS 73 1HZ LYS 73 -0.782 -10.382 8.298 579 HZ3 LYS 73 2HZ LYS 73 -2.363 -10.777 8.174 580 H ALA 74 H ALA 74 -5.662 -2.628 6.636 581 HA ALA 74 HA ALA 74 -5.950 -0.851 9.002 582 HB1 ALA 74 1HB ALA 74 -7.065 0.638 7.325 583 HB2 ALA 74 2HB ALA 74 -5.405 0.242 6.895 584 HB3 ALA 74 3HB ALA 74 -6.756 -0.588 6.072 585 H GLN 75 H GLN 75 -7.711 -1.099 10.301 586 HA GLN 75 HA GLN 75 -10.300 -1.902 9.223 587 HB2 GLN 75 2HB GLN 75 -10.368 -3.736 11.089 588 HB3 GLN 75 3HB GLN 75 -9.686 -4.045 9.522 589 HG2 GLN 75 2HG GLN 75 -7.379 -3.731 10.415 590 HG3 GLN 75 3HG GLN 75 -8.075 -3.653 12.040 591 HE21 GLN 75 1HE2 GLN 75 -7.837 -5.629 9.049 592 HE22 GLN 75 2HE2 GLN 75 -7.836 -7.187 9.833 593 H GLU 76 H GLU 76 -11.465 -0.340 10.061 594 HA GLU 76 HA GLU 76 -11.766 0.119 12.915 595 HB2 GLU 76 2HB GLU 76 -10.708 2.299 11.030 596 HB3 GLU 76 3HB GLU 76 -11.431 2.618 12.601 597 HG2 GLU 76 2HG GLU 76 -8.823 1.148 12.078 598 HG3 GLU 76 3HG GLU 76 -9.022 2.757 12.687 599 H TYR 77 H TYR 77 -12.296 1.417 9.586 600 HA TYR 77 HA TYR 77 -14.915 2.449 10.082 601 HB2 TYR 77 2HB TYR 77 -13.382 1.793 7.524 602 HB3 TYR 77 3HB TYR 77 -14.902 2.677 7.577 603 HD1 TYR 77 2HD TYR 77 -15.071 4.940 8.582 604 HD2 TYR 77 1HD TYR 77 -11.266 2.933 8.074 605 HE1 TYR 77 2HE TYR 77 -13.900 7.066 8.952 606 HE2 TYR 77 1HE TYR 77 -10.098 5.087 8.450 607 HH TYR 77 HH TYR 77 -11.703 8.150 8.634 608 H ARG 78 H ARG 78 -16.787 1.746 8.623 609 HA ARG 78 HA ARG 78 -17.094 -1.183 8.861 610 HB2 ARG 78 2HB ARG 78 -19.377 0.652 8.404 611 HB3 ARG 78 3HB ARG 78 -19.320 -0.920 9.178 612 HG2 ARG 78 2HG ARG 78 -17.924 0.121 11.041 613 HG3 ARG 78 3HG ARG 78 -18.219 1.705 10.295 614 HD2 ARG 78 2HD ARG 78 -20.689 1.228 10.512 615 HD3 ARG 78 3HD ARG 78 -20.217 -0.172 11.512 616 HE ARG 78 HE ARG 78 -18.814 2.125 12.427 617 HH11 ARG 78 1HH1 ARG 78 -22.192 0.984 12.481 618 HH12 ARG 78 2HH1 ARG 78 -22.596 1.994 13.851 619 HH21 ARG 78 1HH2 ARG 78 -19.336 3.288 14.220 620 HH22 ARG 78 2HH2 ARG 78 -20.899 3.225 14.957 621 H SER 79 H SER 79 -16.320 1.032 6.428 622 HA SER 79 HA SER 79 -17.640 -0.530 4.245 623 HB2 SER 79 2HB SER 79 -16.127 2.134 4.341 624 HB3 SER 79 3HB SER 79 -16.558 1.335 2.833 625 HG SER 79 HG SER 79 -18.159 2.685 3.117 626 H GLN 80 H GLN 80 -16.057 -0.952 2.346 627 HA GLN 80 HA GLN 80 -13.364 -1.807 3.358 628 HB2 GLN 80 2HB GLN 80 -15.288 -3.495 2.535 629 HB3 GLN 80 3HB GLN 80 -14.695 -3.048 0.955 630 HG2 GLN 80 2HG GLN 80 -12.581 -3.967 1.335 631 HG3 GLN 80 3HG GLN 80 -12.749 -3.890 3.092 632 HE21 GLN 80 1HE2 GLN 80 -12.410 -6.022 3.615 633 HE22 GLN 80 2HE2 GLN 80 -13.408 -7.347 3.084 634 H GLU 81 H GLU 81 -13.551 0.667 2.852 635 HA GLU 81 HA GLU 81 -12.119 1.216 0.364 636 HB2 GLU 81 2HB GLU 81 -14.463 1.499 -0.301 637 HB3 GLU 81 3HB GLU 81 -14.735 2.602 1.078 638 HG2 GLU 81 2HG GLU 81 -13.214 4.240 0.145 639 HG3 GLU 81 3HG GLU 81 -12.725 3.128 -1.139 640 H LEU 82 H LEU 82 -13.718 2.653 3.289 641 HA LEU 82 HA LEU 82 -11.879 4.841 3.426 642 HB2 LEU 82 2HB LEU 82 -13.468 3.578 5.669 643 HB3 LEU 82 3HB LEU 82 -12.723 5.186 5.640 644 HG LEU 82 HG LEU 82 -15.038 4.207 3.905 645 HD11 LEU 82 1HD1 LEU 82 -15.736 4.574 6.202 646 HD12 LEU 82 2HD1 LEU 82 -16.421 5.805 5.138 647 HD13 LEU 82 3HD1 LEU 82 -15.039 6.215 6.176 648 HD21 LEU 82 3HD2 LEU 82 -15.235 6.617 3.222 649 HD22 LEU 82 1HD2 LEU 82 -13.818 5.787 2.586 650 HD23 LEU 82 2HD2 LEU 82 -13.650 6.908 3.969 651 H ASN 83 H ASN 83 -11.341 1.512 4.081 652 HA ASN 83 HA ASN 83 -9.330 1.913 6.144 653 HB2 ASN 83 2HB ASN 83 -9.469 -0.740 4.919 654 HB3 ASN 83 3HB ASN 83 -9.689 -0.272 6.597 655 HD21 ASN 83 1HD2 ASN 83 -11.785 -1.104 7.295 656 HD22 ASN 83 2HD2 ASN 83 -13.130 -1.074 6.187 657 H ARG 84 H ARG 84 -9.524 1.340 2.549 658 HA ARG 84 HA ARG 84 -6.720 0.682 2.326 659 HB2 ARG 84 2HB ARG 84 -6.934 1.432 -0.043 660 HB3 ARG 84 3HB ARG 84 -7.948 0.072 0.419 661 HG2 ARG 84 2HG ARG 84 -9.904 1.306 0.408 662 HG3 ARG 84 3HG ARG 84 -9.034 2.867 0.486 663 HD2 ARG 84 2HD ARG 84 -9.914 2.721 -1.602 664 HD3 ARG 84 3HD ARG 84 -8.152 2.504 -1.707 665 HE ARG 84 HE ARG 84 -8.427 0.350 -2.495 666 HH11 ARG 84 1HH1 ARG 84 -11.580 1.862 -2.013 667 HH12 ARG 84 2HH1 ARG 84 -12.497 0.500 -2.544 668 HH21 ARG 84 1HH2 ARG 84 -9.612 -1.346 -3.401 669 HH22 ARG 84 2HH2 ARG 84 -11.340 -1.340 -3.480 670 H GLU 85 H GLU 85 -8.518 3.850 2.291 671 HA GLU 85 HA GLU 85 -6.084 5.235 1.719 672 HB2 GLU 85 2HB GLU 85 -7.342 7.261 2.135 673 HB3 GLU 85 3HB GLU 85 -8.254 6.134 1.111 674 HG2 GLU 85 2HG GLU 85 -9.519 5.364 3.123 675 HG3 GLU 85 3HG GLU 85 -8.543 6.495 4.081 676 H ALA 86 H ALA 86 -7.511 3.980 4.676 677 HA ALA 86 HA ALA 86 -5.837 5.589 6.420 678 HB1 ALA 86 1HB ALA 86 -6.768 4.263 8.197 679 HB2 ALA 86 2HB ALA 86 -8.066 4.746 7.097 680 HB3 ALA 86 3HB ALA 86 -7.437 3.078 7.044 681 H ALA 87 H ALA 87 -5.380 2.776 4.481 682 HA ALA 87 HA ALA 87 -3.308 1.528 6.149 683 HB1 ALA 87 1HB ALA 87 -4.864 0.142 4.706 684 HB2 ALA 87 2HB ALA 87 -4.167 0.902 3.274 685 HB3 ALA 87 3HB ALA 87 -3.150 -0.095 4.331 686 H LEU 88 H LEU 88 -3.551 3.366 3.028 687 HA LEU 88 HA LEU 88 -0.786 3.303 2.424 688 HB2 LEU 88 2HB LEU 88 -1.185 4.901 0.788 689 HB3 LEU 88 3HB LEU 88 -2.702 4.052 0.950 690 HG LEU 88 HG LEU 88 -3.175 6.098 2.666 691 HD11 LEU 88 1HD1 LEU 88 -0.976 7.212 2.281 692 HD12 LEU 88 2HD1 LEU 88 -2.330 8.218 1.761 693 HD13 LEU 88 3HD1 LEU 88 -1.368 7.341 0.556 694 HD21 LEU 88 3HD2 LEU 88 -4.423 5.372 0.493 695 HD22 LEU 88 1HD2 LEU 88 -3.563 6.705 -0.255 696 HD23 LEU 88 2HD2 LEU 88 -4.645 7.007 1.135 697 H ALA 89 H ALA 89 -2.594 5.289 4.691 698 HA ALA 89 HA ALA 89 -0.636 7.285 5.203 699 HB1 ALA 89 1HB ALA 89 -2.631 6.051 7.167 700 HB2 ALA 89 2HB ALA 89 -1.849 7.640 7.286 701 HB3 ALA 89 3HB ALA 89 -3.014 7.313 5.982 702 H ARG 90 H ARG 90 -1.256 4.182 6.866 703 HA ARG 90 HA ARG 90 0.938 4.285 8.682 704 HB2 ARG 90 2HB ARG 90 -0.650 1.989 7.472 705 HB3 ARG 90 3HB ARG 90 0.620 1.719 8.661 706 HG2 ARG 90 2HG ARG 90 -0.522 2.970 10.326 707 HG3 ARG 90 3HG ARG 90 -1.748 3.577 9.191 708 HD2 ARG 90 2HD ARG 90 -2.677 1.375 8.927 709 HD3 ARG 90 3HD ARG 90 -1.323 0.632 9.781 710 HE ARG 90 HE ARG 90 -2.737 2.585 11.418 711 HH11 ARG 90 1HH1 ARG 90 -3.111 -0.717 10.168 712 HH12 ARG 90 2HH1 ARG 90 -3.950 -1.289 11.579 713 HH21 ARG 90 1HH2 ARG 90 -3.737 1.669 13.436 714 HH22 ARG 90 2HH2 ARG 90 -4.300 0.059 13.325 715 H LEU 91 H LEU 91 0.746 3.152 5.294 716 HA LEU 91 HA LEU 91 3.308 1.902 5.215 717 HB2 LEU 91 2HB LEU 91 1.570 1.605 3.409 718 HB3 LEU 91 3HB LEU 91 1.743 3.288 2.976 719 HG LEU 91 HG LEU 91 4.060 2.950 2.303 720 HD11 LEU 91 1HD1 LEU 91 3.554 0.045 3.101 721 HD12 LEU 91 2HD1 LEU 91 4.829 1.147 3.700 722 HD13 LEU 91 3HD1 LEU 91 4.883 0.551 2.043 723 HD21 LEU 91 3HD2 LEU 91 2.203 2.684 0.692 724 HD22 LEU 91 1HD2 LEU 91 2.252 0.930 0.970 725 HD23 LEU 91 2HD2 LEU 91 3.649 1.760 0.266 726 H VAL 92 H VAL 92 2.322 5.161 4.240 727 HA VAL 92 HA VAL 92 4.786 6.152 3.503 728 HB VAL 92 HB VAL 92 2.490 7.524 4.984 729 HG11 VAL 92 1HG1 VAL 92 3.258 9.694 4.098 730 HG12 VAL 92 2HG1 VAL 92 4.378 9.024 5.282 731 HG13 VAL 92 3HG1 VAL 92 4.755 8.920 3.544 732 HG21 VAL 92 3HG2 VAL 92 1.649 8.193 2.895 733 HG22 VAL 92 1HG2 VAL 92 3.181 7.852 2.083 734 HG23 VAL 92 2HG2 VAL 92 2.149 6.514 2.613 735 H ALA 93 H ALA 93 3.370 5.963 6.762 736 HA ALA 93 HA ALA 93 5.320 7.442 8.221 737 HB1 ALA 93 1HB ALA 93 4.277 6.376 10.212 738 HB2 ALA 93 2HB ALA 93 3.065 7.040 9.102 739 HB3 ALA 93 3HB ALA 93 3.355 5.288 9.147 740 H MET 94 H MET 94 4.816 3.860 8.234 741 HA MET 94 HA MET 94 7.214 3.305 9.659 742 HB2 MET 94 2HB MET 94 7.026 1.032 8.907 743 HB3 MET 94 3HB MET 94 5.465 1.672 9.445 744 HG2 MET 94 2HG MET 94 4.888 2.086 7.023 745 HG3 MET 94 3HG MET 94 6.350 1.268 6.572 746 HE1 MET 94 3HE MET 94 5.490 -2.412 8.021 747 HE2 MET 94 1HE MET 94 6.794 -1.303 7.543 748 HE3 MET 94 2HE MET 94 6.032 -1.150 9.144 749 H ILE 95 H ILE 95 6.765 3.772 6.100 750 HA ILE 95 HA ILE 95 9.413 3.021 5.422 751 HB ILE 95 HB ILE 95 7.391 4.922 4.205 752 HG12 ILE 95 2HG1 ILE 95 8.533 2.219 3.335 753 HG13 ILE 95 3HG1 ILE 95 7.065 2.377 4.293 754 HG21 ILE 95 1HG2 ILE 95 9.684 5.745 3.532 755 HG22 ILE 95 2HG2 ILE 95 10.078 4.117 2.949 756 HG23 ILE 95 3HG2 ILE 95 8.805 5.086 2.186 757 HD11 ILE 95 3HD1 ILE 95 6.050 3.763 2.522 758 HD12 ILE 95 1HD1 ILE 95 7.492 3.524 1.534 759 HD13 ILE 95 2HD1 ILE 95 6.503 2.124 1.946 760 H LYS 96 H LYS 96 8.078 6.241 6.353 761 HA LYS 96 HA LYS 96 10.568 7.650 6.126 762 HB2 LYS 96 2HB LYS 96 7.964 8.195 7.623 763 HB3 LYS 96 3HB LYS 96 9.314 9.323 7.633 764 HG2 LYS 96 2HG LYS 96 9.248 9.551 5.205 765 HG3 LYS 96 3HG LYS 96 7.985 8.323 5.074 766 HD2 LYS 96 2HD LYS 96 6.434 9.753 6.362 767 HD3 LYS 96 3HD LYS 96 7.699 10.983 6.506 768 HE2 LYS 96 2HE LYS 96 7.813 11.000 3.940 769 HE3 LYS 96 3HE LYS 96 6.399 9.944 3.945 770 HZ1 LYS 96 3HZ LYS 96 6.600 12.740 4.784 771 HZ2 LYS 96 1HZ LYS 96 5.322 11.825 5.290 772 HZ3 LYS 96 2HZ LYS 96 5.538 12.106 3.705 773 H GLU 97 H GLU 97 9.215 5.637 8.696 774 HA GLU 97 HA GLU 97 11.094 6.566 10.716 775 HB2 GLU 97 2HB GLU 97 8.919 4.482 10.501 776 HB3 GLU 97 3HB GLU 97 10.201 4.196 11.653 777 HG2 GLU 97 2HG GLU 97 8.515 5.202 12.882 778 HG3 GLU 97 3HG GLU 97 9.785 6.401 12.710 779 H LEU 98 H LEU 98 10.914 3.837 8.420 780 HA LEU 98 HA LEU 98 13.251 2.492 9.478 781 HB2 LEU 98 2HB LEU 98 11.697 2.233 6.877 782 HB3 LEU 98 3HB LEU 98 12.968 1.117 7.376 783 HG LEU 98 HG LEU 98 10.514 1.675 9.084 784 HD11 LEU 98 1HD1 LEU 98 9.531 -0.357 8.192 785 HD12 LEU 98 2HD1 LEU 98 10.898 -0.552 7.060 786 HD13 LEU 98 3HD1 LEU 98 9.779 0.820 6.896 787 HD21 LEU 98 3HD2 LEU 98 11.100 -0.598 9.991 788 HD22 LEU 98 1HD2 LEU 98 12.165 0.737 10.414 789 HD23 LEU 98 2HD2 LEU 98 12.662 -0.396 9.145 790 H THR 99 H THR 99 12.712 4.600 6.692 791 HA THR 99 HA THR 99 15.408 4.221 5.601 792 HB THR 99 HB THR 99 14.815 6.371 4.305 793 HG1 THR 99 1HG THR 99 12.217 5.837 5.330 794 HG21 THR 99 3HG2 THR 99 13.117 5.216 2.915 795 HG22 THR 99 1HG2 THR 99 12.943 3.983 4.184 796 HG23 THR 99 2HG2 THR 99 14.484 4.176 3.315 797 H THR 100 H THR 100 14.330 6.121 8.321 798 HA THR 100 HA THR 100 16.701 7.886 8.077 799 HB THR 100 HB THR 100 14.428 8.839 8.477 800 HG1 THR 100 1HG THR 100 15.259 10.424 9.497 801 HG21 THR 100 3HG2 THR 100 14.746 7.676 11.266 802 HG22 THR 100 1HG2 THR 100 13.513 7.234 10.081 803 HG23 THR 100 2HG2 THR 100 13.518 8.865 10.761 804 H GLU 101 H GLU 101 18.263 8.061 9.734 805 HA GLU 101 HA GLU 101 18.409 5.803 11.674 806 HB2 GLU 101 2HB GLU 101 20.521 6.848 9.783 807 HB3 GLU 101 3HB GLU 101 20.933 5.944 11.248 808 HG2 GLU 101 2HG GLU 101 19.394 4.114 10.510 809 HG3 GLU 101 3HG GLU 101 19.221 4.941 8.981 810 H LYS 102 H LYS 102 17.289 8.336 12.239 811 HA LYS 102 HA LYS 102 19.188 9.237 14.335 812 HB2 LYS 102 2HB LYS 102 18.761 11.595 13.942 813 HB3 LYS 102 3HB LYS 102 19.495 10.801 12.566 814 HG2 LYS 102 2HG LYS 102 16.894 10.599 11.834 815 HG3 LYS 102 3HG LYS 102 16.816 12.077 12.797 816 HD2 LYS 102 2HD LYS 102 18.758 11.554 10.501 817 HD3 LYS 102 3HD LYS 102 17.232 12.410 10.306 818 HE2 LYS 102 2HE LYS 102 19.463 13.303 12.187 819 HE3 LYS 102 3HE LYS 102 19.347 13.819 10.508 820 HZ1 LYS 102 3HZ LYS 102 17.296 14.902 10.948 821 HZ2 LYS 102 1HZ LYS 102 18.374 15.385 12.066 822 HZ3 LYS 102 2HZ LYS 102 17.212 14.314 12.496 823 H LYS 103 H LYS 103 16.469 7.641 14.111 824 HA LYS 103 HA LYS 103 14.834 9.278 15.946 825 HB2 LYS 103 2HB LYS 103 14.394 6.541 14.683 826 HB3 LYS 103 3HB LYS 103 13.311 7.216 15.887 827 HG2 LYS 103 2HG LYS 103 13.971 8.486 13.219 828 HG3 LYS 103 3HG LYS 103 12.523 7.546 13.541 829 HD2 LYS 103 2HD LYS 103 13.169 10.159 15.008 830 HD3 LYS 103 3HD LYS 103 12.338 10.084 13.487 831 HE2 LYS 103 2HE LYS 103 10.703 10.348 15.106 832 HE3 LYS 103 3HE LYS 103 10.521 8.726 14.451 833 HZ1 LYS 103 3HZ LYS 103 10.292 9.017 16.869 834 HZ2 LYS 103 1HZ LYS 103 11.905 9.284 17.007 835 HZ3 LYS 103 2HZ LYS 103 11.302 7.815 16.419 836 H ALA 104 H ALA 104 14.687 9.020 18.061 837 HA ALA 104 HA ALA 104 15.973 6.685 19.376 838 HB1 ALA 104 1HB ALA 104 17.525 8.559 19.513 839 HB2 ALA 104 2HB ALA 104 16.244 9.623 20.129 840 HB3 ALA 104 3HB ALA 104 16.814 8.242 21.097 841 H ARG 105 H ARG 105 13.609 6.022 19.190 842 HA ARG 105 HA ARG 105 11.728 7.437 20.982 843 HB2 ARG 105 2HB ARG 105 11.173 6.283 18.745 844 HB3 ARG 105 3HB ARG 105 11.414 4.753 19.583 845 HG2 ARG 105 2HG ARG 105 9.554 5.410 21.160 846 HG3 ARG 105 3HG ARG 105 9.293 6.868 20.189 847 HD2 ARG 105 2HD ARG 105 8.794 5.504 18.230 848 HD3 ARG 105 3HD ARG 105 9.239 4.026 19.076 849 HE ARG 105 HE ARG 105 6.741 5.540 19.317 850 HH11 ARG 105 1HH1 ARG 105 8.724 3.035 20.898 851 HH12 ARG 105 2HH1 ARG 105 7.356 2.252 21.616 852 HH21 ARG 105 1HH2 ARG 105 4.991 4.459 20.209 853 HH22 ARG 105 2HH2 ARG 105 5.192 3.079 21.235 854 H ARG 106 H ARG 106 14.404 5.766 21.668 855 HA ARG 106 HA ARG 106 13.316 3.995 23.785 856 HB2 ARG 106 2HB ARG 106 16.031 4.329 22.416 857 HB3 ARG 106 3HB ARG 106 15.871 3.393 23.891 858 HG2 ARG 106 2HG ARG 106 14.093 2.757 21.518 859 HG3 ARG 106 3HG ARG 106 15.768 2.207 21.551 860 HD2 ARG 106 2HD ARG 106 15.341 1.067 23.733 861 HD3 ARG 106 3HD ARG 106 13.661 1.598 23.673 862 HE ARG 106 HE ARG 106 13.186 -0.180 22.355 863 HH11 ARG 106 1HH1 ARG 106 16.726 0.228 22.196 864 HH12 ARG 106 2HH1 ARG 106 16.957 -1.136 21.153 865 HH21 ARG 106 1HH2 ARG 106 13.491 -1.920 20.917 866 HH22 ARG 106 2HH2 ARG 106 15.083 -2.401 20.448 867 HA PRO 107 HA PRO 107 14.332 7.083 26.761 868 HB2 PRO 107 2HB PRO 107 15.169 5.672 28.968 869 HB3 PRO 107 3HB PRO 107 13.476 5.701 28.392 870 HG2 PRO 107 2HG PRO 107 15.588 3.595 27.850 871 HG3 PRO 107 3HG PRO 107 13.891 3.354 28.374 872 HD2 PRO 107 2HD PRO 107 14.648 3.137 25.769 873 HD3 PRO 107 3HD PRO 107 13.063 3.833 26.199 874 H THR 108 H THR 108 16.835 4.831 25.741 875 HA THR 108 HA THR 108 19.104 5.587 26.921 876 HB THR 108 HB THR 108 18.795 4.864 23.993 877 HG1 THR 108 1HG THR 108 18.910 2.662 25.333 878 HG21 THR 108 3HG2 THR 108 20.800 3.464 24.442 879 HG22 THR 108 1HG2 THR 108 20.839 4.056 26.116 880 HG23 THR 108 2HG2 THR 108 21.120 5.171 24.765 881 H ARG 109 H ARG 109 20.632 7.172 26.730 882 HA ARG 109 HA ARG 109 19.894 9.659 25.298 883 HB2 ARG 109 2HB ARG 109 22.001 9.016 27.421 884 HB3 ARG 109 3HB ARG 109 21.637 10.618 26.810 885 HG2 ARG 109 2HG ARG 109 19.765 8.862 28.436 886 HG3 ARG 109 3HG ARG 109 20.639 10.277 29.003 887 HD2 ARG 109 2HD ARG 109 18.425 10.229 26.925 888 HD3 ARG 109 3HD ARG 109 18.314 10.859 28.578 889 HE ARG 109 HE ARG 109 20.267 12.381 27.764 890 HH11 ARG 109 1HH1 ARG 109 17.417 11.579 25.749 891 HH12 ARG 109 2HH1 ARG 109 17.599 13.048 24.813 892 HH21 ARG 109 1HH2 ARG 109 20.414 14.268 26.523 893 HH22 ARG 109 2HH2 ARG 109 19.231 14.573 25.300 894 H SER 110 H SER 110 22.119 10.961 24.882 895 HA SER 110 HA SER 110 23.880 9.390 23.090 896 HB2 SER 110 2HB SER 110 22.785 12.220 22.694 897 HB3 SER 110 3HB SER 110 23.923 11.380 21.629 898 HG SER 110 HG SER 110 21.972 11.243 20.719 899 H GLY 111 H GLY 111 26.024 10.276 23.015 900 HA2 GLY 111 2HA GLY 111 27.223 12.486 23.865 901 HA3 GLY 111 3HA GLY 111 26.884 11.718 25.427 902 HA PRO 112 HA PRO 112 29.682 8.562 23.134 903 HB2 PRO 112 2HB PRO 112 30.714 9.110 20.667 904 HB3 PRO 112 3HB PRO 112 29.050 8.487 20.885 905 HG2 PRO 112 2HG PRO 112 29.922 11.372 20.528 906 HG3 PRO 112 3HG PRO 112 28.650 10.480 19.628 907 HD2 PRO 112 2HD PRO 112 28.080 12.055 21.788 908 HD3 PRO 112 3HD PRO 112 27.182 10.535 21.478 909 H SER 113 H SER 113 32.014 8.340 22.861 910 HA SER 113 HA SER 113 33.548 10.281 24.284 911 HB2 SER 113 2HB SER 113 35.356 8.478 23.558 912 HB3 SER 113 3HB SER 113 34.108 8.101 24.746 913 HG SER 113 HG SER 113 33.942 6.452 23.439 914 H SER 114 H SER 114 32.570 10.370 21.181 915 HA SER 114 HA SER 114 32.947 11.933 19.597 916 HB2 SER 114 2HB SER 114 34.612 13.121 21.119 917 HB3 SER 114 3HB SER 114 35.881 12.175 20.315 918 HG SER 114 HG SER 114 35.018 13.022 18.321 919 H GLY 115 H GLY 115 34.664 8.970 20.124 920 HA2 GLY 115 2HA GLY 115 34.343 7.957 17.580 921 HA3 GLY 115 3HA GLY 115 35.991 8.631 17.660 922 H GLU 116 H GLU 116 35.879 5.884 17.397 923 HA GLU 116 HA GLU 116 36.894 4.979 19.983 924 HB2 GLU 116 2HB GLU 116 35.550 2.984 20.011 925 HB3 GLU 116 3HB GLU 116 34.476 4.380 19.994 926 HG2 GLU 116 2HG GLU 116 34.167 4.047 17.510 927 HG3 GLU 116 3HG GLU 116 35.160 2.594 17.607 928 H ASN 117 H ASN 117 37.923 2.779 19.651 929 HA ASN 117 HA ASN 117 38.798 2.068 16.963 930 HB2 ASN 117 2HB ASN 117 40.653 3.403 18.947 931 HB3 ASN 117 3HB ASN 117 41.272 2.083 17.971 932 HD21 ASN 117 1HD2 ASN 117 40.141 5.424 17.763 933 HD22 ASN 117 2HD2 ASN 117 40.620 5.583 16.082 934 H LEU 118 H LEU 118 37.107 0.929 18.978 935 HA LEU 118 HA LEU 118 38.642 -1.229 20.310 936 HB2 LEU 118 2HB LEU 118 35.726 -0.354 20.293 937 HB3 LEU 118 3HB LEU 118 36.158 -1.976 20.787 938 HG LEU 118 HG LEU 118 35.823 -0.518 22.695 939 HD11 LEU 118 1HD1 LEU 118 38.744 -1.376 22.501 940 HD12 LEU 118 2HD1 LEU 118 37.362 -2.439 22.884 941 HD13 LEU 118 3HD1 LEU 118 37.790 -1.119 23.974 942 HD21 LEU 118 3HD2 LEU 118 38.286 1.043 21.818 943 HD22 LEU 118 1HD2 LEU 118 37.332 1.276 23.296 944 HD23 LEU 118 2HD2 LEU 118 36.596 1.618 21.724 945 H TYR 119 H TYR 119 39.483 -2.407 18.581 946 HA TYR 119 HA TYR 119 37.760 -3.106 16.310 947 HB2 TYR 119 2HB TYR 119 40.584 -3.984 16.980 948 HB3 TYR 119 3HB TYR 119 39.744 -4.271 15.463 949 HD1 TYR 119 1HD TYR 119 38.565 -1.094 15.842 950 HD2 TYR 119 2HD TYR 119 42.362 -3.118 15.384 951 HE1 TYR 119 1HE TYR 119 39.531 0.950 14.984 952 HE2 TYR 119 2HE TYR 119 43.343 -1.026 14.469 953 HH TYR 119 HH TYR 119 41.671 2.047 14.656 954 H PHE 120 H PHE 120 37.490 -4.087 19.271 955 HA PHE 120 HA PHE 120 37.399 -7.016 18.917 956 HB2 PHE 120 2HB PHE 120 37.011 -5.274 21.394 957 HB3 PHE 120 3HB PHE 120 37.026 -7.031 21.353 958 HD1 PHE 120 1HD PHE 120 39.192 -8.214 20.529 959 HD2 PHE 120 2HD PHE 120 39.043 -4.064 21.698 960 HE1 PHE 120 1HE PHE 120 41.656 -8.205 20.821 961 HE2 PHE 120 2HE PHE 120 41.509 -4.056 21.980 962 HZ PHE 120 HZ PHE 120 42.820 -6.126 21.543 963 H GLN 121 H GLN 121 35.552 -7.644 18.037 964 HA GLN 121 HA GLN 121 33.058 -6.061 18.266 965 HB2 GLN 121 2HB GLN 121 34.005 -8.411 16.557 966 HB3 GLN 121 3HB GLN 121 32.319 -7.959 16.635 967 HG2 GLN 121 2HG GLN 121 34.523 -6.026 15.800 968 HG3 GLN 121 3HG GLN 121 33.616 -7.031 14.672 969 HE21 GLN 121 1HE2 GLN 121 30.988 -6.852 15.704 970 HE22 GLN 121 2HE2 GLN 121 30.443 -5.186 15.600 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.960 8.709 -4.139 2 HA MET 1 HA MET 1 0.883 9.196 -5.706 3 HB2 MET 1 2HB MET 1 0.751 11.926 -4.383 4 HB3 MET 1 3HB MET 1 2.074 11.372 -5.389 5 HG2 MET 1 2HG MET 1 -0.774 11.840 -6.282 6 HG3 MET 1 3HG MET 1 0.702 12.647 -6.812 7 HE1 MET 1 3HE MET 1 2.476 9.709 -8.868 8 HE2 MET 1 1HE MET 1 2.661 11.368 -8.259 9 HE3 MET 1 2HE MET 1 2.683 9.983 -7.136 10 H ILE 2 H ILE 2 0.251 9.071 -2.293 11 HA ILE 2 HA ILE 2 1.629 8.878 -0.477 12 HB ILE 2 HB ILE 2 2.806 6.738 -2.277 13 HG12 ILE 2 2HG1 ILE 2 0.107 6.816 -0.872 14 HG13 ILE 2 3HG1 ILE 2 0.438 6.689 -2.604 15 HG21 ILE 2 1HG2 ILE 2 3.205 5.467 -0.322 16 HG22 ILE 2 2HG2 ILE 2 3.669 7.096 0.169 17 HG23 ILE 2 3HG2 ILE 2 2.082 6.446 0.644 18 HD11 ILE 2 3HD1 ILE 2 1.426 4.426 -2.220 19 HD12 ILE 2 1HD1 ILE 2 0.979 4.550 -0.503 20 HD13 ILE 2 2HD1 ILE 2 -0.276 4.539 -1.748 21 H VAL 3 H VAL 3 2.588 11.042 -1.547 22 HA VAL 3 HA VAL 3 5.347 10.785 -2.396 23 HB VAL 3 HB VAL 3 4.219 12.623 -3.243 24 HG11 VAL 3 1HG1 VAL 3 2.561 13.249 -1.728 25 HG12 VAL 3 2HG1 VAL 3 3.717 13.569 -0.404 26 HG13 VAL 3 3HG1 VAL 3 3.649 14.622 -1.821 27 HG21 VAL 3 3HG2 VAL 3 6.311 13.653 -1.289 28 HG22 VAL 3 1HG2 VAL 3 6.633 12.812 -2.825 29 HG23 VAL 3 2HG2 VAL 3 5.823 14.379 -2.832 30 H ILE 4 H ILE 4 6.926 10.141 -1.262 31 HA ILE 4 HA ILE 4 6.844 10.364 1.677 32 HB ILE 4 HB ILE 4 8.977 8.939 0.088 33 HG12 ILE 4 2HG1 ILE 4 6.858 7.884 -0.551 34 HG13 ILE 4 3HG1 ILE 4 7.913 6.837 0.368 35 HG21 ILE 4 1HG2 ILE 4 8.063 8.713 2.985 36 HG22 ILE 4 2HG2 ILE 4 9.312 7.733 2.200 37 HG23 ILE 4 3HG2 ILE 4 9.561 9.455 2.414 38 HD11 ILE 4 3HD1 ILE 4 5.620 6.527 1.068 39 HD12 ILE 4 1HD1 ILE 4 6.525 7.213 2.408 40 HD13 ILE 4 2HD1 ILE 4 5.452 8.259 1.439 41 H SER 5 H SER 5 8.726 11.380 -1.244 42 HA SER 5 HA SER 5 9.989 13.648 0.119 43 HB2 SER 5 2HB SER 5 11.560 11.814 0.561 44 HB3 SER 5 3HB SER 5 11.487 11.302 -1.135 45 HG SER 5 HG SER 5 13.359 12.308 -0.798 46 H ARG 6 H ARG 6 11.443 14.719 -1.601 47 HA ARG 6 HA ARG 6 9.969 15.691 -3.781 48 HB2 ARG 6 2HB ARG 6 12.118 16.686 -4.516 49 HB3 ARG 6 3HB ARG 6 11.810 16.921 -2.797 50 HG2 ARG 6 2HG ARG 6 13.439 15.187 -2.204 51 HG3 ARG 6 3HG ARG 6 13.655 14.763 -3.912 52 HD2 ARG 6 2HD ARG 6 14.631 16.896 -4.410 53 HD3 ARG 6 3HD ARG 6 14.263 17.507 -2.780 54 HE ARG 6 HE ARG 6 15.985 15.160 -2.730 55 HH11 ARG 6 1HH1 ARG 6 15.992 18.697 -3.252 56 HH12 ARG 6 2HH1 ARG 6 17.558 18.925 -2.558 57 HH21 ARG 6 1HH2 ARG 6 18.298 15.487 -2.138 58 HH22 ARG 6 2HH2 ARG 6 18.877 17.095 -2.078 59 H HIS 7 H HIS 7 11.741 12.726 -3.681 60 HA HIS 7 HA HIS 7 11.377 12.360 -6.609 61 HB2 HIS 7 2HB HIS 7 13.846 11.667 -4.952 62 HB3 HIS 7 3HB HIS 7 13.588 11.181 -6.624 63 HD1 HIS 7 1HD HIS 7 12.667 13.753 -8.017 64 HD2 HIS 7 2HD HIS 7 15.744 13.524 -5.151 65 HE1 HIS 7 1HE HIS 7 14.155 15.767 -8.373 66 H VAL 8 H VAL 8 9.988 11.411 -3.933 67 HA VAL 8 HA VAL 8 9.862 8.560 -4.742 68 HB VAL 8 HB VAL 8 10.192 9.583 -1.894 69 HG11 VAL 8 1HG1 VAL 8 10.249 7.141 -1.339 70 HG12 VAL 8 2HG1 VAL 8 8.715 7.674 -2.046 71 HG13 VAL 8 3HG1 VAL 8 9.877 6.806 -3.053 72 HG21 VAL 8 3HG2 VAL 8 12.394 9.642 -2.913 73 HG22 VAL 8 1HG2 VAL 8 12.320 8.186 -1.920 74 HG23 VAL 8 2HG2 VAL 8 12.132 8.063 -3.681 75 H ALA 9 H ALA 9 7.805 8.430 -5.431 76 HA ALA 9 HA ALA 9 5.544 9.174 -3.747 77 HB1 ALA 9 1HB ALA 9 4.538 10.679 -5.424 78 HB2 ALA 9 2HB ALA 9 6.050 11.346 -4.786 79 HB3 ALA 9 3HB ALA 9 6.011 10.593 -6.404 80 H ILE 10 H ILE 10 4.497 7.312 -3.901 81 HA ILE 10 HA ILE 10 4.669 5.571 -6.244 82 HB ILE 10 HB ILE 10 2.669 5.222 -3.960 83 HG12 ILE 10 2HG1 ILE 10 5.631 4.614 -3.972 84 HG13 ILE 10 3HG1 ILE 10 4.733 5.571 -2.801 85 HG21 ILE 10 1HG2 ILE 10 2.467 3.792 -5.999 86 HG22 ILE 10 2HG2 ILE 10 4.125 3.221 -5.715 87 HG23 ILE 10 3HG2 ILE 10 2.826 2.872 -4.550 88 HD11 ILE 10 3HD1 ILE 10 5.351 3.470 -1.801 89 HD12 ILE 10 1HD1 ILE 10 3.589 3.494 -2.018 90 HD13 ILE 10 2HD1 ILE 10 4.628 2.563 -3.129 91 HA PRO 11 HA PRO 11 1.192 7.810 -8.067 92 HB2 PRO 11 2HB PRO 11 0.626 6.295 -10.285 93 HB3 PRO 11 3HB PRO 11 2.070 7.330 -10.104 94 HG2 PRO 11 2HG PRO 11 1.852 4.350 -9.578 95 HG3 PRO 11 3HG PRO 11 3.045 5.213 -10.597 96 HD2 PRO 11 2HD PRO 11 3.606 4.525 -8.012 97 HD3 PRO 11 3HD PRO 11 4.175 6.066 -8.692 98 H ASP 12 H ASP 12 0.814 5.396 -6.073 99 HA ASP 12 HA ASP 12 -0.837 4.431 -4.956 100 HB2 ASP 12 2HB ASP 12 -1.827 6.820 -5.413 101 HB3 ASP 12 3HB ASP 12 -2.989 5.946 -6.431 102 H GLY 13 H GLY 13 -0.111 3.542 -7.849 103 HA2 GLY 13 2HA GLY 13 -2.300 1.529 -8.133 104 HA3 GLY 13 3HA GLY 13 -1.361 2.189 -9.464 105 H GLU 14 H GLU 14 1.152 1.933 -7.558 106 HA GLU 14 HA GLU 14 1.994 -0.649 -8.518 107 HB2 GLU 14 2HB GLU 14 3.229 1.219 -6.462 108 HB3 GLU 14 3HB GLU 14 4.015 -0.221 -7.094 109 HG2 GLU 14 2HG GLU 14 3.888 0.762 -9.392 110 HG3 GLU 14 3HG GLU 14 3.320 2.268 -8.667 111 H LEU 15 H LEU 15 0.042 0.115 -5.797 112 HA LEU 15 HA LEU 15 1.221 -2.020 -4.129 113 HB2 LEU 15 2HB LEU 15 -1.249 -0.411 -3.452 114 HB3 LEU 15 3HB LEU 15 -0.160 -1.297 -2.386 115 HG LEU 15 HG LEU 15 0.342 1.364 -3.809 116 HD11 LEU 15 1HD1 LEU 15 -0.847 1.401 -1.616 117 HD12 LEU 15 2HD1 LEU 15 0.758 2.155 -1.535 118 HD13 LEU 15 3HD1 LEU 15 0.536 0.516 -0.892 119 HD21 LEU 15 3HD2 LEU 15 2.599 1.290 -2.629 120 HD22 LEU 15 1HD2 LEU 15 2.466 0.182 -3.995 121 HD23 LEU 15 2HD2 LEU 15 2.279 -0.433 -2.339 122 H GLU 16 H GLU 16 -0.075 -3.674 -3.246 123 HA GLU 16 HA GLU 16 -2.176 -4.750 -5.074 124 HB2 GLU 16 2HB GLU 16 -0.079 -6.050 -5.055 125 HB3 GLU 16 3HB GLU 16 -0.141 -6.136 -3.297 126 HG2 GLU 16 2HG GLU 16 -1.046 -8.167 -3.773 127 HG3 GLU 16 3HG GLU 16 -2.533 -7.246 -3.774 128 H ILE 17 H ILE 17 -4.025 -3.921 -4.047 129 HA ILE 17 HA ILE 17 -4.120 -4.126 -1.082 130 HB ILE 17 HB ILE 17 -5.908 -2.584 -2.972 131 HG12 ILE 17 2HG1 ILE 17 -3.892 -1.408 -0.996 132 HG13 ILE 17 3HG1 ILE 17 -3.373 -1.803 -2.625 133 HG21 ILE 17 1HG2 ILE 17 -5.621 -2.589 0.074 134 HG22 ILE 17 2HG2 ILE 17 -6.709 -1.529 -0.845 135 HG23 ILE 17 3HG2 ILE 17 -6.993 -3.268 -0.818 136 HD11 ILE 17 3HD1 ILE 17 -4.976 -0.364 -3.630 137 HD12 ILE 17 1HD1 ILE 17 -5.689 0.052 -2.050 138 HD13 ILE 17 2HD1 ILE 17 -4.023 0.524 -2.417 139 H THR 18 H THR 18 -5.300 -5.660 -0.153 140 HA THR 18 HA THR 18 -7.206 -7.232 -1.805 141 HB THR 18 HB THR 18 -6.558 -8.853 0.351 142 HG1 THR 18 1HG THR 18 -4.068 -7.846 -0.595 143 HG21 THR 18 3HG2 THR 18 -5.445 -8.800 -2.481 144 HG22 THR 18 1HG2 THR 18 -6.953 -9.549 -1.891 145 HG23 THR 18 2HG2 THR 18 -5.397 -10.196 -1.375 146 H ALA 19 H ALA 19 -9.067 -7.947 -0.854 147 HA ALA 19 HA ALA 19 -9.893 -6.292 1.457 148 HB1 ALA 19 1HB ALA 19 -11.454 -7.994 -0.526 149 HB2 ALA 19 2HB ALA 19 -12.191 -7.123 0.835 150 HB3 ALA 19 3HB ALA 19 -11.392 -6.224 -0.475 151 H ILE 20 H ILE 20 -10.539 -7.171 3.414 152 HA ILE 20 HA ILE 20 -10.126 -10.089 3.734 153 HB ILE 20 HB ILE 20 -9.064 -9.429 5.974 154 HG12 ILE 20 2HG1 ILE 20 -8.232 -6.921 4.503 155 HG13 ILE 20 3HG1 ILE 20 -9.511 -6.984 5.710 156 HG21 ILE 20 1HG2 ILE 20 -7.462 -8.975 3.436 157 HG22 ILE 20 2HG2 ILE 20 -6.826 -9.521 5.008 158 HG23 ILE 20 3HG2 ILE 20 -7.916 -10.555 4.093 159 HD11 ILE 20 3HD1 ILE 20 -7.485 -6.233 6.794 160 HD12 ILE 20 1HD1 ILE 20 -7.855 -7.867 7.380 161 HD13 ILE 20 2HD1 ILE 20 -6.575 -7.615 6.167 162 H ARG 21 H ARG 21 -11.258 -11.033 5.385 163 HA ARG 21 HA ARG 21 -13.317 -9.434 6.721 164 HB2 ARG 21 2HB ARG 21 -13.991 -11.977 5.188 165 HB3 ARG 21 3HB ARG 21 -15.102 -10.957 6.117 166 HG2 ARG 21 2HG ARG 21 -14.669 -9.082 4.482 167 HG3 ARG 21 3HG ARG 21 -13.672 -10.208 3.535 168 HD2 ARG 21 2HD ARG 21 -15.778 -11.749 3.584 169 HD3 ARG 21 3HD ARG 21 -16.660 -10.274 4.011 170 HE ARG 21 HE ARG 21 -15.034 -9.660 1.785 171 HH11 ARG 21 1HH1 ARG 21 -17.686 -11.966 2.379 172 HH12 ARG 21 2HH1 ARG 21 -18.134 -12.035 0.710 173 HH21 ARG 21 1HH2 ARG 21 -15.637 -9.714 -0.294 174 HH22 ARG 21 2HH2 ARG 21 -16.989 -10.606 -0.882 175 H ALA 22 H ALA 22 -14.048 -10.404 8.610 176 HA ALA 22 HA ALA 22 -12.424 -12.641 9.703 177 HB1 ALA 22 1HB ALA 22 -12.079 -10.476 10.842 178 HB2 ALA 22 2HB ALA 22 -13.832 -10.353 11.146 179 HB3 ALA 22 3HB ALA 22 -12.883 -11.643 11.904 180 H GLN 23 H GLN 23 -13.629 -13.893 11.399 181 HA GLN 23 HA GLN 23 -16.523 -14.280 10.757 182 HB2 GLN 23 2HB GLN 23 -14.391 -16.394 11.171 183 HB3 GLN 23 3HB GLN 23 -16.127 -16.700 11.026 184 HG2 GLN 23 2HG GLN 23 -16.179 -16.008 8.725 185 HG3 GLN 23 3HG GLN 23 -14.518 -15.404 8.810 186 HE21 GLN 23 1HE2 GLN 23 -16.497 -18.373 8.862 187 HE22 GLN 23 2HE2 GLN 23 -15.146 -19.484 8.607 188 H GLY 24 H GLY 24 -14.268 -13.462 13.169 189 HA2 GLY 24 2HA GLY 24 -16.063 -13.402 15.281 190 HA3 GLY 24 3HA GLY 24 -15.172 -14.938 15.401 191 H ALA 25 H ALA 25 -14.321 -13.864 17.415 192 HA ALA 25 HA ALA 25 -12.514 -11.593 17.153 193 HB1 ALA 25 1HB ALA 25 -12.978 -13.554 19.433 194 HB2 ALA 25 2HB ALA 25 -12.021 -12.057 19.518 195 HB3 ALA 25 3HB ALA 25 -13.760 -11.965 19.248 196 H GLY 26 H GLY 26 -10.628 -11.909 16.013 197 HA2 GLY 26 2HA GLY 26 -9.332 -14.517 15.832 198 HA3 GLY 26 3HA GLY 26 -8.960 -13.028 14.971 199 H GLY 27 H GLY 27 -8.313 -14.871 17.857 200 HA2 GLY 27 2HA GLY 27 -6.564 -14.924 19.233 201 HA3 GLY 27 3HA GLY 27 -5.664 -13.943 18.088 202 H GLN 28 H GLN 28 -5.639 -11.609 18.359 203 HA GLN 28 HA GLN 28 -6.688 -10.474 20.856 204 HB2 GLN 28 2HB GLN 28 -3.739 -10.664 20.128 205 HB3 GLN 28 3HB GLN 28 -4.376 -9.530 21.328 206 HG2 GLN 28 2HG GLN 28 -5.289 -11.485 22.618 207 HG3 GLN 28 3HG GLN 28 -4.439 -12.561 21.497 208 HE21 GLN 28 1HE2 GLN 28 -1.902 -10.964 21.215 209 HE22 GLN 28 2HE2 GLN 28 -1.191 -11.075 22.802 210 H HIS 29 H HIS 29 -6.091 -8.084 20.875 211 HA HIS 29 HA HIS 29 -6.396 -6.055 20.145 212 HB2 HIS 29 2HB HIS 29 -4.169 -6.583 19.136 213 HB3 HIS 29 3HB HIS 29 -4.978 -6.829 17.588 214 HD1 HIS 29 1HD HIS 29 -3.741 -4.127 19.957 215 HD2 HIS 29 2HD HIS 29 -6.001 -4.554 16.416 216 HE1 HIS 29 1HE HIS 29 -3.899 -1.805 18.917 217 H VAL 30 H VAL 30 -7.939 -8.515 18.455 218 HA VAL 30 HA VAL 30 -9.361 -7.124 16.469 219 HB VAL 30 HB VAL 30 -9.151 -9.534 16.533 220 HG11 VAL 30 1HG1 VAL 30 -9.189 -9.909 19.017 221 HG12 VAL 30 2HG1 VAL 30 -10.937 -9.614 19.008 222 HG13 VAL 30 3HG1 VAL 30 -10.243 -10.991 18.146 223 HG21 VAL 30 3HG2 VAL 30 -11.390 -10.142 15.904 224 HG22 VAL 30 1HG2 VAL 30 -12.096 -8.852 16.906 225 HG23 VAL 30 2HG2 VAL 30 -11.147 -8.455 15.447 226 H ASN 31 H ASN 31 -11.089 -5.816 16.558 227 HA ASN 31 HA ASN 31 -12.486 -5.370 19.157 228 HB2 ASN 31 2HB ASN 31 -11.874 -3.273 17.065 229 HB3 ASN 31 3HB ASN 31 -12.642 -3.027 18.619 230 HD21 ASN 31 1HD2 ASN 31 -10.721 -4.625 20.312 231 HD22 ASN 31 2HD2 ASN 31 -9.255 -3.715 20.207 232 H LYS 32 H LYS 32 -13.155 -7.078 16.757 233 HA LYS 32 HA LYS 32 -15.090 -7.872 15.875 234 HB2 LYS 32 2HB LYS 32 -16.179 -6.469 17.856 235 HB3 LYS 32 3HB LYS 32 -16.691 -5.413 16.547 236 HG2 LYS 32 2HG LYS 32 -18.504 -6.812 16.917 237 HG3 LYS 32 3HG LYS 32 -17.755 -7.499 15.484 238 HD2 LYS 32 2HD LYS 32 -16.635 -9.218 16.974 239 HD3 LYS 32 3HD LYS 32 -17.490 -8.501 18.356 240 HE2 LYS 32 2HE LYS 32 -19.668 -8.953 17.104 241 HE3 LYS 32 3HE LYS 32 -18.713 -9.856 15.915 242 HZ1 LYS 32 3HZ LYS 32 -19.579 -11.376 17.533 243 HZ2 LYS 32 1HZ LYS 32 -19.040 -10.474 18.798 244 HZ3 LYS 32 2HZ LYS 32 -17.972 -11.254 17.845 245 H THR 33 H THR 33 -13.449 -5.161 14.675 246 HA THR 33 HA THR 33 -15.197 -4.473 12.516 247 HB THR 33 HB THR 33 -13.077 -3.432 11.597 248 HG1 THR 33 1HG THR 33 -11.593 -4.852 12.440 249 HG21 THR 33 3HG2 THR 33 -14.524 -2.164 13.211 250 HG22 THR 33 1HG2 THR 33 -12.801 -1.757 13.369 251 HG23 THR 33 2HG2 THR 33 -13.580 -2.810 14.559 252 H SER 34 H SER 34 -15.852 -6.104 11.067 253 HA SER 34 HA SER 34 -13.857 -8.171 10.327 254 HB2 SER 34 2HB SER 34 -16.800 -7.924 9.617 255 HB3 SER 34 3HB SER 34 -15.737 -9.290 9.268 256 HG SER 34 HG SER 34 -16.518 -8.368 11.855 257 H THR 35 H THR 35 -15.829 -5.583 8.783 258 HA THR 35 HA THR 35 -14.920 -6.087 6.117 259 HB THR 35 HB THR 35 -16.077 -3.543 7.318 260 HG1 THR 35 1HG THR 35 -17.848 -5.326 6.225 261 HG21 THR 35 3HG2 THR 35 -17.161 -3.300 5.094 262 HG22 THR 35 1HG2 THR 35 -16.306 -4.756 4.528 263 HG23 THR 35 2HG2 THR 35 -15.399 -3.304 5.010 264 H ALA 36 H ALA 36 -12.544 -6.191 6.498 265 HA ALA 36 HA ALA 36 -11.288 -3.482 6.809 266 HB1 ALA 36 1HB ALA 36 -9.361 -4.760 7.713 267 HB2 ALA 36 2HB ALA 36 -10.855 -4.993 8.652 268 HB3 ALA 36 3HB ALA 36 -10.307 -6.263 7.560 269 H ILE 37 H ILE 37 -8.963 -3.541 5.945 270 HA ILE 37 HA ILE 37 -8.834 -4.715 3.215 271 HB ILE 37 HB ILE 37 -8.441 -1.829 4.100 272 HG12 ILE 37 2HG1 ILE 37 -10.665 -2.404 3.187 273 HG13 ILE 37 3HG1 ILE 37 -9.800 -1.257 2.183 274 HG21 ILE 37 1HG2 ILE 37 -7.482 -1.435 1.748 275 HG22 ILE 37 2HG2 ILE 37 -6.397 -2.146 2.938 276 HG23 ILE 37 3HG2 ILE 37 -7.161 -3.164 1.706 277 HD11 ILE 37 3HD1 ILE 37 -9.139 -3.223 0.660 278 HD12 ILE 37 1HD1 ILE 37 -10.286 -4.196 1.615 279 HD13 ILE 37 2HD1 ILE 37 -10.846 -2.801 0.690 280 H HIS 38 H HIS 38 -6.790 -5.226 2.556 281 HA HIS 38 HA HIS 38 -4.594 -5.286 4.538 282 HB2 HIS 38 2HB HIS 38 -5.614 -7.505 4.133 283 HB3 HIS 38 3HB HIS 38 -5.443 -7.289 2.399 284 HD1 HIS 38 1HD HIS 38 -2.952 -7.715 1.408 285 HD2 HIS 38 2HD HIS 38 -3.509 -8.119 5.540 286 HE1 HIS 38 1HE HIS 38 -0.794 -8.756 2.339 287 H LEU 39 H LEU 39 -3.063 -3.872 3.806 288 HA LEU 39 HA LEU 39 -2.917 -3.244 0.868 289 HB2 LEU 39 2HB LEU 39 -3.302 -1.309 2.198 290 HB3 LEU 39 3HB LEU 39 -2.045 -1.726 3.355 291 HG LEU 39 HG LEU 39 -1.208 -1.367 0.483 292 HD11 LEU 39 1HD1 LEU 39 -1.028 1.098 0.804 293 HD12 LEU 39 2HD1 LEU 39 -1.904 0.956 2.328 294 HD13 LEU 39 3HD1 LEU 39 -2.706 0.547 0.794 295 HD21 LEU 39 3HD2 LEU 39 0.124 -0.181 2.949 296 HD22 LEU 39 1HD2 LEU 39 0.843 -0.622 1.393 297 HD23 LEU 39 2HD2 LEU 39 0.387 -1.881 2.537 298 H ARG 40 H ARG 40 -1.061 -3.910 -0.254 299 HA ARG 40 HA ARG 40 1.219 -4.922 1.348 300 HB2 ARG 40 2HB ARG 40 -0.097 -6.857 0.625 301 HB3 ARG 40 3HB ARG 40 -0.148 -6.225 -1.021 302 HG2 ARG 40 2HG ARG 40 2.169 -6.540 -1.393 303 HG3 ARG 40 3HG ARG 40 2.398 -7.077 0.284 304 HD2 ARG 40 2HD ARG 40 1.212 -9.069 -0.040 305 HD3 ARG 40 3HD ARG 40 0.379 -8.469 -1.491 306 HE ARG 40 HE ARG 40 2.667 -8.451 -2.585 307 HH11 ARG 40 1HH1 ARG 40 1.313 -11.087 -0.620 308 HH12 ARG 40 2HH1 ARG 40 2.543 -12.212 -1.055 309 HH21 ARG 40 1HH2 ARG 40 4.358 -10.056 -3.147 310 HH22 ARG 40 2HH2 ARG 40 4.396 -11.528 -2.263 311 H PHE 41 H PHE 41 3.054 -4.026 0.710 312 HA PHE 41 HA PHE 41 3.288 -2.795 -1.996 313 HB2 PHE 41 2HB PHE 41 3.039 -1.043 -0.318 314 HB3 PHE 41 3HB PHE 41 4.257 -1.783 0.698 315 HD1 PHE 41 2HD PHE 41 4.219 -1.035 -3.016 316 HD2 PHE 41 1HD PHE 41 6.164 -0.433 0.784 317 HE1 PHE 41 2HE PHE 41 5.851 0.411 -4.096 318 HE2 PHE 41 1HE PHE 41 7.844 1.008 -0.306 319 HZ PHE 41 HZ PHE 41 7.701 1.447 -2.767 320 H ASP 42 H ASP 42 4.630 -4.123 -3.125 321 HA ASP 42 HA ASP 42 6.770 -5.639 -1.833 322 HB2 ASP 42 2HB ASP 42 7.025 -6.401 -4.312 323 HB3 ASP 42 3HB ASP 42 5.791 -7.084 -3.280 324 H ILE 43 H ILE 43 8.392 -4.351 -1.403 325 HA ILE 43 HA ILE 43 9.226 -2.012 -2.625 326 HB ILE 43 HB ILE 43 10.769 -4.174 -1.155 327 HG12 ILE 43 2HG1 ILE 43 10.131 -1.507 0.082 328 HG13 ILE 43 3HG1 ILE 43 8.765 -2.577 -0.145 329 HG21 ILE 43 1HG2 ILE 43 11.676 -1.364 -1.867 330 HG22 ILE 43 2HG2 ILE 43 12.464 -2.395 -0.644 331 HG23 ILE 43 3HG2 ILE 43 12.436 -2.898 -2.337 332 HD11 ILE 43 3HD1 ILE 43 11.311 -3.463 1.266 333 HD12 ILE 43 1HD1 ILE 43 9.847 -2.856 2.083 334 HD13 ILE 43 2HD1 ILE 43 9.758 -4.325 1.145 335 H ARG 44 H ARG 44 10.291 -5.362 -3.490 336 HA ARG 44 HA ARG 44 12.221 -4.467 -5.449 337 HB2 ARG 44 2HB ARG 44 10.674 -7.090 -5.211 338 HB3 ARG 44 3HB ARG 44 11.949 -6.822 -6.384 339 HG2 ARG 44 2HG ARG 44 12.395 -6.559 -3.384 340 HG3 ARG 44 3HG ARG 44 12.624 -8.059 -4.286 341 HD2 ARG 44 2HD ARG 44 14.022 -5.489 -5.079 342 HD3 ARG 44 3HD ARG 44 14.699 -6.594 -3.879 343 HE ARG 44 HE ARG 44 14.229 -8.319 -5.873 344 HH11 ARG 44 1HH1 ARG 44 16.143 -5.301 -5.722 345 HH12 ARG 44 2HH1 ARG 44 17.154 -5.722 -7.028 346 HH21 ARG 44 1HH2 ARG 44 15.579 -8.893 -7.628 347 HH22 ARG 44 2HH2 ARG 44 16.868 -7.831 -8.075 348 H ALA 45 H ALA 45 8.770 -4.829 -5.618 349 HA ALA 45 HA ALA 45 8.730 -4.680 -8.580 350 HB1 ALA 45 1HB ALA 45 7.201 -6.211 -7.250 351 HB2 ALA 45 2HB ALA 45 6.466 -4.737 -6.579 352 HB3 ALA 45 3HB ALA 45 6.347 -5.054 -8.309 353 H SER 46 H SER 46 9.173 -2.391 -6.179 354 HA SER 46 HA SER 46 7.279 -0.443 -7.342 355 HB2 SER 46 2HB SER 46 7.687 0.783 -5.360 356 HB3 SER 46 3HB SER 46 7.520 -0.911 -4.889 357 HG SER 46 HG SER 46 9.811 -1.020 -4.777 358 H SER 47 H SER 47 7.992 1.794 -7.651 359 HA SER 47 HA SER 47 10.378 1.931 -9.329 360 HB2 SER 47 2HB SER 47 9.518 4.322 -9.610 361 HB3 SER 47 3HB SER 47 8.499 3.003 -10.221 362 HG SER 47 HG SER 47 7.100 3.252 -8.680 363 H LEU 48 H LEU 48 10.132 2.030 -6.068 364 HA LEU 48 HA LEU 48 11.248 4.337 -5.086 365 HB2 LEU 48 2HB LEU 48 11.713 1.421 -4.351 366 HB3 LEU 48 3HB LEU 48 12.473 2.688 -3.430 367 HG LEU 48 HG LEU 48 9.472 2.371 -3.732 368 HD11 LEU 48 1HD1 LEU 48 11.447 1.709 -1.495 369 HD12 LEU 48 2HD1 LEU 48 10.427 0.577 -2.400 370 HD13 LEU 48 3HD1 LEU 48 9.687 1.735 -1.298 371 HD21 LEU 48 3HD2 LEU 48 11.148 4.310 -2.079 372 HD22 LEU 48 1HD2 LEU 48 9.419 4.017 -1.839 373 HD23 LEU 48 2HD2 LEU 48 9.969 4.689 -3.365 374 HA PRO 49 HA PRO 49 15.447 4.554 -6.499 375 HB2 PRO 49 2HB PRO 49 16.687 5.897 -4.432 376 HB3 PRO 49 3HB PRO 49 15.515 6.678 -5.543 377 HG2 PRO 49 2HG PRO 49 14.983 5.523 -2.815 378 HG3 PRO 49 3HG PRO 49 14.520 7.143 -3.403 379 HD2 PRO 49 2HD PRO 49 12.764 5.075 -3.446 380 HD3 PRO 49 3HD PRO 49 12.823 6.189 -4.832 381 H GLU 50 H GLU 50 17.481 3.541 -6.085 382 HA GLU 50 HA GLU 50 17.466 1.050 -4.910 383 HB2 GLU 50 2HB GLU 50 19.914 1.104 -5.198 384 HB3 GLU 50 3HB GLU 50 19.100 1.842 -6.551 385 HG2 GLU 50 2HG GLU 50 19.560 4.111 -5.231 386 HG3 GLU 50 3HG GLU 50 20.766 3.148 -4.402 387 H TYR 51 H TYR 51 18.501 4.094 -3.360 388 HA TYR 51 HA TYR 51 19.565 3.024 -0.975 389 HB2 TYR 51 2HB TYR 51 19.724 5.394 -1.748 390 HB3 TYR 51 3HB TYR 51 18.033 5.638 -1.368 391 HD1 TYR 51 2HD TYR 51 17.280 5.671 1.080 392 HD2 TYR 51 1HD TYR 51 21.435 5.379 -0.069 393 HE1 TYR 51 2HE TYR 51 17.950 6.424 3.329 394 HE2 TYR 51 1HE TYR 51 22.093 6.108 2.185 395 HH TYR 51 HH TYR 51 19.758 7.341 4.541 396 H TYR 52 H TYR 52 16.180 3.982 -1.799 397 HA TYR 52 HA TYR 52 15.186 3.213 0.815 398 HB2 TYR 52 2HB TYR 52 13.764 3.861 -1.781 399 HB3 TYR 52 3HB TYR 52 12.935 3.254 -0.377 400 HD1 TYR 52 2HD TYR 52 15.704 5.873 -0.646 401 HD2 TYR 52 1HD TYR 52 11.639 4.950 0.512 402 HE1 TYR 52 2HE TYR 52 15.627 7.930 0.640 403 HE2 TYR 52 1HE TYR 52 11.532 7.074 1.755 404 HH TYR 52 HH TYR 52 14.465 8.899 2.512 405 H LYS 53 H LYS 53 15.567 1.533 -2.328 406 HA LYS 53 HA LYS 53 13.946 -0.701 -1.744 407 HB2 LYS 53 2HB LYS 53 16.623 -0.660 -3.226 408 HB3 LYS 53 3HB LYS 53 15.540 -2.023 -3.206 409 HG2 LYS 53 2HG LYS 53 14.546 0.635 -4.259 410 HG3 LYS 53 3HG LYS 53 15.616 -0.372 -5.233 411 HD2 LYS 53 2HD LYS 53 14.002 -2.274 -5.021 412 HD3 LYS 53 3HD LYS 53 12.939 -1.192 -4.096 413 HE2 LYS 53 2HE LYS 53 12.023 -0.953 -6.210 414 HE3 LYS 53 3HE LYS 53 13.163 0.405 -6.130 415 HZ1 LYS 53 3HZ LYS 53 13.534 -2.132 -7.606 416 HZ2 LYS 53 1HZ LYS 53 14.739 -0.991 -7.414 417 HZ3 LYS 53 2HZ LYS 53 13.345 -0.631 -8.192 418 H GLU 54 H GLU 54 17.487 -0.390 -1.197 419 HA GLU 54 HA GLU 54 17.595 -2.724 0.412 420 HB2 GLU 54 2HB GLU 54 19.509 -0.371 0.433 421 HB3 GLU 54 3HB GLU 54 19.802 -2.007 1.067 422 HG2 GLU 54 2HG GLU 54 19.022 -2.739 -1.365 423 HG3 GLU 54 3HG GLU 54 19.520 -1.108 -1.804 424 H ARG 55 H ARG 55 16.914 0.632 1.336 425 HA ARG 55 HA ARG 55 17.322 0.183 4.178 426 HB2 ARG 55 2HB ARG 55 16.111 2.355 2.529 427 HB3 ARG 55 3HB ARG 55 15.338 2.135 4.089 428 HG2 ARG 55 2HG ARG 55 17.111 3.785 4.278 429 HG3 ARG 55 3HG ARG 55 17.452 2.343 5.260 430 HD2 ARG 55 2HD ARG 55 18.904 1.565 3.301 431 HD3 ARG 55 3HD ARG 55 18.720 3.198 2.625 432 HE ARG 55 HE ARG 55 19.514 3.439 5.332 433 HH11 ARG 55 1HH1 ARG 55 20.861 2.233 2.281 434 HH12 ARG 55 2HH1 ARG 55 22.520 2.456 2.720 435 HH21 ARG 55 1HH2 ARG 55 21.681 3.941 5.875 436 HH22 ARG 55 2HH2 ARG 55 22.999 3.386 4.888 437 H LEU 56 H LEU 56 14.369 -0.033 2.174 438 HA LEU 56 HA LEU 56 12.805 -0.889 4.486 439 HB2 LEU 56 2HB LEU 56 12.137 -1.059 1.530 440 HB3 LEU 56 3HB LEU 56 11.017 -1.189 2.893 441 HG LEU 56 HG LEU 56 12.550 1.317 2.069 442 HD11 LEU 56 1HD1 LEU 56 10.399 2.193 1.395 443 HD12 LEU 56 2HD1 LEU 56 9.591 0.687 1.897 444 HD13 LEU 56 3HD1 LEU 56 10.744 0.677 0.554 445 HD21 LEU 56 3HD2 LEU 56 11.251 2.534 3.691 446 HD22 LEU 56 1HD2 LEU 56 12.281 1.340 4.470 447 HD23 LEU 56 2HD2 LEU 56 10.536 1.015 4.301 448 H LEU 57 H LEU 57 14.726 -2.529 1.973 449 HA LEU 57 HA LEU 57 13.597 -5.164 2.427 450 HB2 LEU 57 2HB LEU 57 16.033 -4.029 1.052 451 HB3 LEU 57 3HB LEU 57 16.043 -5.727 1.432 452 HG LEU 57 HG LEU 57 13.630 -4.605 0.013 453 HD11 LEU 57 1HD1 LEU 57 16.159 -5.594 -1.375 454 HD12 LEU 57 2HD1 LEU 57 15.680 -3.902 -1.299 455 HD13 LEU 57 3HD1 LEU 57 14.650 -5.062 -2.150 456 HD21 LEU 57 3HD2 LEU 57 13.451 -6.858 -0.798 457 HD22 LEU 57 1HD2 LEU 57 13.720 -6.959 0.959 458 HD23 LEU 57 2HD2 LEU 57 15.040 -7.306 -0.156 459 H ALA 58 H ALA 58 16.271 -3.294 3.821 460 HA ALA 58 HA ALA 58 17.077 -5.552 5.549 461 HB1 ALA 58 1HB ALA 58 18.805 -4.253 4.274 462 HB2 ALA 58 2HB ALA 58 18.344 -2.805 5.204 463 HB3 ALA 58 3HB ALA 58 19.036 -4.217 6.027 464 H ALA 59 H ALA 59 14.609 -3.589 5.769 465 HA ALA 59 HA ALA 59 14.944 -2.121 8.210 466 HB1 ALA 59 1HB ALA 59 12.546 -3.166 6.634 467 HB2 ALA 59 2HB ALA 59 12.361 -2.168 8.057 468 HB3 ALA 59 3HB ALA 59 13.203 -1.504 6.640 469 H SER 60 H SER 60 13.589 -2.566 10.154 470 HA SER 60 HA SER 60 13.212 -5.428 10.829 471 HB2 SER 60 2HB SER 60 15.297 -4.844 11.863 472 HB3 SER 60 3HB SER 60 14.660 -3.299 12.459 473 HG SER 60 HG SER 60 14.708 -5.585 13.700 474 H HIS 61 H HIS 61 11.009 -5.214 10.412 475 HA HIS 61 HA HIS 61 9.535 -3.473 12.292 476 HB2 HIS 61 2HB HIS 61 9.709 -2.663 9.706 477 HB3 HIS 61 3HB HIS 61 8.407 -3.820 9.543 478 HD1 HIS 61 1HD HIS 61 6.221 -3.244 11.485 479 HD2 HIS 61 2HD HIS 61 9.076 -0.292 10.467 480 HE1 HIS 61 1HE HIS 61 5.243 -1.054 12.164 481 H HIS 62 H HIS 62 7.531 -4.403 12.912 482 HA HIS 62 HA HIS 62 7.326 -7.297 12.597 483 HB2 HIS 62 2HB HIS 62 5.566 -7.096 14.218 484 HB3 HIS 62 3HB HIS 62 6.861 -6.019 14.726 485 HD1 HIS 62 1HD HIS 62 6.298 -3.316 14.494 486 HD2 HIS 62 2HD HIS 62 3.231 -6.060 13.549 487 HE1 HIS 62 1HE HIS 62 4.125 -1.985 14.393 488 H LEU 63 H LEU 63 6.593 -4.970 10.448 489 HA LEU 63 HA LEU 63 4.053 -6.189 9.457 490 HB2 LEU 63 2HB LEU 63 5.109 -3.356 9.264 491 HB3 LEU 63 3HB LEU 63 3.710 -3.919 8.361 492 HG LEU 63 HG LEU 63 3.954 -3.722 11.374 493 HD11 LEU 63 1HD1 LEU 63 3.793 -1.540 10.185 494 HD12 LEU 63 2HD1 LEU 63 2.374 -1.880 11.187 495 HD13 LEU 63 3HD1 LEU 63 2.290 -2.082 9.424 496 HD21 LEU 63 3HD2 LEU 63 1.535 -4.472 9.674 497 HD22 LEU 63 1HD2 LEU 63 1.513 -4.188 11.430 498 HD23 LEU 63 2HD2 LEU 63 2.408 -5.563 10.784 499 H ILE 64 H ILE 64 7.415 -6.077 8.768 500 HA ILE 64 HA ILE 64 6.846 -6.254 5.855 501 HB ILE 64 HB ILE 64 9.452 -5.564 7.263 502 HG12 ILE 64 2HG1 ILE 64 7.530 -3.734 5.758 503 HG13 ILE 64 3HG1 ILE 64 7.661 -3.773 7.492 504 HG21 ILE 64 1HG2 ILE 64 8.686 -5.378 4.297 505 HG22 ILE 64 2HG2 ILE 64 10.254 -4.921 5.002 506 HG23 ILE 64 3HG2 ILE 64 9.770 -6.587 4.996 507 HD11 ILE 64 3HD1 ILE 64 10.042 -3.129 7.356 508 HD12 ILE 64 1HD1 ILE 64 9.840 -2.865 5.600 509 HD13 ILE 64 2HD1 ILE 64 8.893 -1.916 6.742 510 H SER 65 H SER 65 7.914 -7.922 4.737 511 HA SER 65 HA SER 65 8.422 -10.374 6.343 512 HB2 SER 65 2HB SER 65 7.588 -9.976 3.437 513 HB3 SER 65 3HB SER 65 7.839 -11.526 4.248 514 HG SER 65 HG SER 65 6.065 -11.167 5.497 515 H SER 66 H SER 66 10.213 -11.788 5.539 516 HA SER 66 HA SER 66 12.568 -10.350 5.058 517 HB2 SER 66 2HB SER 66 11.983 -13.309 4.623 518 HB3 SER 66 3HB SER 66 13.596 -12.584 4.780 519 HG SER 66 HG SER 66 12.939 -11.786 6.837 520 H ASP 67 H ASP 67 10.292 -11.445 2.711 521 HA ASP 67 HA ASP 67 12.053 -11.479 0.416 522 HB2 ASP 67 2HB ASP 67 9.014 -11.293 0.668 523 HB3 ASP 67 3HB ASP 67 9.887 -11.566 -0.842 524 H GLY 68 H GLY 68 11.016 -8.922 2.327 525 HA2 GLY 68 2HA GLY 68 11.138 -6.669 2.024 526 HA3 GLY 68 3HA GLY 68 11.609 -6.919 0.323 527 H VAL 69 H VAL 69 8.696 -7.720 2.273 528 HA VAL 69 HA VAL 69 7.041 -6.201 0.341 529 HB VAL 69 HB VAL 69 6.427 -8.989 1.422 530 HG11 VAL 69 1HG1 VAL 69 4.836 -7.219 -0.505 531 HG12 VAL 69 2HG1 VAL 69 4.414 -8.862 0.029 532 HG13 VAL 69 3HG1 VAL 69 4.419 -7.539 1.192 533 HG21 VAL 69 3HG2 VAL 69 8.063 -9.160 -0.413 534 HG22 VAL 69 1HG2 VAL 69 6.481 -9.700 -0.964 535 HG23 VAL 69 2HG2 VAL 69 7.070 -8.096 -1.427 536 H ILE 70 H ILE 70 5.924 -4.735 1.476 537 HA ILE 70 HA ILE 70 5.843 -4.866 4.441 538 HB ILE 70 HB ILE 70 5.087 -2.597 2.539 539 HG12 ILE 70 2HG1 ILE 70 7.792 -3.327 3.643 540 HG13 ILE 70 3HG1 ILE 70 7.328 -2.829 2.029 541 HG21 ILE 70 1HG2 ILE 70 5.291 -1.187 4.582 542 HG22 ILE 70 2HG2 ILE 70 4.049 -2.421 4.734 543 HG23 ILE 70 3HG2 ILE 70 5.617 -2.663 5.516 544 HD11 ILE 70 3HD1 ILE 70 6.966 -0.490 2.908 545 HD12 ILE 70 1HD1 ILE 70 7.612 -1.039 4.475 546 HD13 ILE 70 2HD1 ILE 70 8.631 -1.083 3.037 547 H VAL 71 H VAL 71 3.823 -5.377 5.441 548 HA VAL 71 HA VAL 71 1.419 -5.103 3.750 549 HB VAL 71 HB VAL 71 0.476 -7.143 4.711 550 HG11 VAL 71 1HG1 VAL 71 1.438 -7.074 2.461 551 HG12 VAL 71 2HG1 VAL 71 3.013 -7.601 3.102 552 HG13 VAL 71 3HG1 VAL 71 1.605 -8.680 3.196 553 HG21 VAL 71 3HG2 VAL 71 1.813 -7.501 6.677 554 HG22 VAL 71 1HG2 VAL 71 2.001 -8.875 5.567 555 HG23 VAL 71 2HG2 VAL 71 3.299 -7.673 5.694 556 H ILE 72 H ILE 72 -0.267 -4.229 4.668 557 HA ILE 72 HA ILE 72 -0.146 -3.551 7.578 558 HB ILE 72 HB ILE 72 -0.913 -1.737 5.266 559 HG12 ILE 72 2HG1 ILE 72 1.558 -1.737 7.054 560 HG13 ILE 72 3HG1 ILE 72 1.500 -2.069 5.323 561 HG21 ILE 72 1HG2 ILE 72 -2.244 -1.204 7.289 562 HG22 ILE 72 2HG2 ILE 72 -0.731 -1.041 8.226 563 HG23 ILE 72 3HG2 ILE 72 -1.120 0.066 6.888 564 HD11 ILE 72 3HD1 ILE 72 2.261 0.076 5.374 565 HD12 ILE 72 1HD1 ILE 72 0.528 0.292 5.053 566 HD13 ILE 72 2HD1 ILE 72 1.143 0.576 6.690 567 H LYS 73 H LYS 73 -2.232 -3.379 8.585 568 HA LYS 73 HA LYS 73 -4.580 -4.220 6.994 569 HB2 LYS 73 2HB LYS 73 -3.860 -5.382 9.715 570 HB3 LYS 73 3HB LYS 73 -5.221 -5.811 8.679 571 HG2 LYS 73 2HG LYS 73 -3.579 -6.568 6.941 572 HG3 LYS 73 3HG LYS 73 -2.254 -6.258 8.043 573 HD2 LYS 73 2HD LYS 73 -3.170 -7.837 9.684 574 HD3 LYS 73 3HD LYS 73 -4.476 -8.262 8.543 575 HE2 LYS 73 2HE LYS 73 -2.918 -9.197 6.979 576 HE3 LYS 73 3HE LYS 73 -1.516 -8.542 7.839 577 HZ1 LYS 73 3HZ LYS 73 -1.755 -10.134 9.486 578 HZ2 LYS 73 1HZ LYS 73 -2.305 -11.006 8.169 579 HZ3 LYS 73 2HZ LYS 73 -3.353 -10.354 9.222 580 H ALA 74 H ALA 74 -5.491 -2.229 7.033 581 HA ALA 74 HA ALA 74 -5.730 -0.654 9.535 582 HB1 ALA 74 1HB ALA 74 -5.004 0.566 7.498 583 HB2 ALA 74 2HB ALA 74 -6.423 -0.044 6.611 584 HB3 ALA 74 3HB ALA 74 -6.638 1.082 7.947 585 H GLN 75 H GLN 75 -7.665 -0.706 10.675 586 HA GLN 75 HA GLN 75 -10.149 -1.344 9.259 587 HB2 GLN 75 2HB GLN 75 -10.007 -2.888 11.755 588 HB3 GLN 75 3HB GLN 75 -10.654 -3.315 10.189 589 HG2 GLN 75 2HG GLN 75 -8.221 -3.851 9.497 590 HG3 GLN 75 3HG GLN 75 -7.797 -3.628 11.201 591 HE21 GLN 75 1HE2 GLN 75 -7.885 -6.106 9.320 592 HE22 GLN 75 2HE2 GLN 75 -9.012 -7.197 10.109 593 H GLU 76 H GLU 76 -11.274 0.412 9.852 594 HA GLU 76 HA GLU 76 -11.644 1.104 12.715 595 HB2 GLU 76 2HB GLU 76 -10.768 3.078 10.544 596 HB3 GLU 76 3HB GLU 76 -11.354 3.523 12.144 597 HG2 GLU 76 2HG GLU 76 -8.763 2.061 11.467 598 HG3 GLU 76 3HG GLU 76 -8.961 3.721 12.032 599 H TYR 77 H TYR 77 -12.307 1.989 9.302 600 HA TYR 77 HA TYR 77 -14.957 2.996 9.795 601 HB2 TYR 77 2HB TYR 77 -13.485 2.107 7.268 602 HB3 TYR 77 3HB TYR 77 -15.019 2.941 7.282 603 HD1 TYR 77 1HD TYR 77 -11.357 3.352 7.835 604 HD2 TYR 77 2HD TYR 77 -15.205 5.282 7.662 605 HE1 TYR 77 1HE TYR 77 -10.248 5.534 7.595 606 HE2 TYR 77 2HE TYR 77 -14.088 7.491 7.447 607 HH TYR 77 HH TYR 77 -10.644 7.814 6.861 608 H ARG 78 H ARG 78 -16.848 2.124 8.690 609 HA ARG 78 HA ARG 78 -17.058 -0.846 8.994 610 HB2 ARG 78 2HB ARG 78 -19.065 1.437 8.801 611 HB3 ARG 78 3HB ARG 78 -19.536 -0.245 8.598 612 HG2 ARG 78 2HG ARG 78 -20.003 0.395 10.860 613 HG3 ARG 78 3HG ARG 78 -18.768 -0.841 10.807 614 HD2 ARG 78 2HD ARG 78 -18.236 0.706 12.522 615 HD3 ARG 78 3HD ARG 78 -17.027 0.893 11.261 616 HE ARG 78 HE ARG 78 -18.947 2.803 10.653 617 HH11 ARG 78 1HH1 ARG 78 -16.943 2.064 13.493 618 HH12 ARG 78 2HH1 ARG 78 -17.188 3.607 14.247 619 HH21 ARG 78 1HH2 ARG 78 -19.100 4.960 11.567 620 HH22 ARG 78 2HH2 ARG 78 -18.440 5.263 13.127 621 H SER 79 H SER 79 -16.318 1.340 6.566 622 HA SER 79 HA SER 79 -17.488 -0.355 4.428 623 HB2 SER 79 2HB SER 79 -16.683 2.573 4.351 624 HB3 SER 79 3HB SER 79 -17.419 1.628 3.041 625 HG SER 79 HG SER 79 -19.233 1.319 4.311 626 H GLN 80 H GLN 80 -16.162 -1.416 3.231 627 HA GLN 80 HA GLN 80 -13.373 -1.596 3.687 628 HB2 GLN 80 2HB GLN 80 -15.317 -3.217 2.776 629 HB3 GLN 80 3HB GLN 80 -14.726 -2.709 1.222 630 HG2 GLN 80 2HG GLN 80 -12.588 -3.666 1.665 631 HG3 GLN 80 3HG GLN 80 -12.913 -3.741 3.407 632 HE21 GLN 80 1HE2 GLN 80 -12.765 -6.032 3.741 633 HE22 GLN 80 2HE2 GLN 80 -13.911 -7.118 2.987 634 H GLU 81 H GLU 81 -14.813 0.856 2.115 635 HA GLU 81 HA GLU 81 -12.845 1.230 -0.070 636 HB2 GLU 81 2HB GLU 81 -15.352 1.169 -0.391 637 HB3 GLU 81 3HB GLU 81 -15.464 2.605 0.618 638 HG2 GLU 81 2HG GLU 81 -14.285 3.926 -1.057 639 HG3 GLU 81 3HG GLU 81 -13.945 2.469 -2.012 640 H LEU 82 H LEU 82 -13.514 2.096 3.125 641 HA LEU 82 HA LEU 82 -12.034 4.695 2.984 642 HB2 LEU 82 2HB LEU 82 -13.759 3.556 5.189 643 HB3 LEU 82 3HB LEU 82 -13.097 5.198 5.083 644 HG LEU 82 HG LEU 82 -15.227 4.004 3.240 645 HD11 LEU 82 1HD1 LEU 82 -16.010 4.387 5.572 646 HD12 LEU 82 2HD1 LEU 82 -16.819 5.389 4.369 647 HD13 LEU 82 3HD1 LEU 82 -15.565 6.105 5.400 648 HD21 LEU 82 3HD2 LEU 82 -14.129 6.833 3.450 649 HD22 LEU 82 1HD2 LEU 82 -15.549 6.352 2.504 650 HD23 LEU 82 2HD2 LEU 82 -13.944 5.731 2.074 651 H ASN 83 H ASN 83 -12.120 1.445 4.382 652 HA ASN 83 HA ASN 83 -9.928 1.920 6.206 653 HB2 ASN 83 2HB ASN 83 -11.189 -0.623 5.128 654 HB3 ASN 83 3HB ASN 83 -9.723 -0.657 6.115 655 HD21 ASN 83 1HD2 ASN 83 -12.786 -1.468 6.774 656 HD22 ASN 83 2HD2 ASN 83 -13.058 -0.568 8.204 657 H ARG 84 H ARG 84 -10.010 1.618 2.822 658 HA ARG 84 HA ARG 84 -7.320 0.608 2.405 659 HB2 ARG 84 2HB ARG 84 -7.591 1.617 0.111 660 HB3 ARG 84 3HB ARG 84 -8.580 0.240 0.540 661 HG2 ARG 84 2HG ARG 84 -10.542 1.411 0.636 662 HG3 ARG 84 3HG ARG 84 -9.819 2.987 0.894 663 HD2 ARG 84 2HD ARG 84 -9.556 1.305 -1.606 664 HD3 ARG 84 3HD ARG 84 -10.768 2.598 -1.390 665 HE ARG 84 HE ARG 84 -7.998 3.485 -1.027 666 HH11 ARG 84 1HH1 ARG 84 -10.523 2.992 -3.508 667 HH12 ARG 84 2HH1 ARG 84 -9.584 3.741 -4.740 668 HH21 ARG 84 1HH2 ARG 84 -6.859 4.623 -2.688 669 HH22 ARG 84 2HH2 ARG 84 -7.559 4.811 -4.245 670 H GLU 85 H GLU 85 -8.764 3.956 2.483 671 HA GLU 85 HA GLU 85 -6.196 5.096 1.920 672 HB2 GLU 85 2HB GLU 85 -7.170 7.253 2.393 673 HB3 GLU 85 3HB GLU 85 -8.209 6.300 1.315 674 HG2 GLU 85 2HG GLU 85 -9.720 5.780 3.107 675 HG3 GLU 85 3HG GLU 85 -8.594 6.472 4.306 676 H ALA 86 H ALA 86 -7.725 4.017 4.903 677 HA ALA 86 HA ALA 86 -6.023 5.522 6.646 678 HB1 ALA 86 1HB ALA 86 -6.882 3.918 8.353 679 HB2 ALA 86 2HB ALA 86 -8.177 4.599 7.343 680 HB3 ALA 86 3HB ALA 86 -7.611 2.946 7.044 681 H ALA 87 H ALA 87 -5.423 2.798 4.626 682 HA ALA 87 HA ALA 87 -3.281 1.652 6.263 683 HB1 ALA 87 1HB ALA 87 -3.126 0.021 4.521 684 HB2 ALA 87 2HB ALA 87 -4.858 0.339 4.790 685 HB3 ALA 87 3HB ALA 87 -4.045 1.035 3.378 686 H LEU 88 H LEU 88 -3.556 3.593 3.239 687 HA LEU 88 HA LEU 88 -0.808 3.506 2.575 688 HB2 LEU 88 2HB LEU 88 -1.226 5.117 0.957 689 HB3 LEU 88 3HB LEU 88 -2.728 4.238 1.135 690 HG LEU 88 HG LEU 88 -3.218 6.285 2.863 691 HD11 LEU 88 1HD1 LEU 88 -2.452 8.395 1.922 692 HD12 LEU 88 2HD1 LEU 88 -1.503 7.550 0.688 693 HD13 LEU 88 3HD1 LEU 88 -1.049 7.431 2.403 694 HD21 LEU 88 3HD2 LEU 88 -4.537 5.519 0.792 695 HD22 LEU 88 1HD2 LEU 88 -3.658 6.766 -0.088 696 HD23 LEU 88 2HD2 LEU 88 -4.695 7.196 1.309 697 H ALA 89 H ALA 89 -2.540 5.651 4.808 698 HA ALA 89 HA ALA 89 -0.446 7.526 5.209 699 HB1 ALA 89 1HB ALA 89 -2.798 7.815 5.938 700 HB2 ALA 89 2HB ALA 89 -2.545 6.594 7.211 701 HB3 ALA 89 3HB ALA 89 -1.636 8.128 7.230 702 H ARG 90 H ARG 90 -1.087 4.405 6.797 703 HA ARG 90 HA ARG 90 1.001 4.549 8.779 704 HB2 ARG 90 2HB ARG 90 -0.390 2.184 7.479 705 HB3 ARG 90 3HB ARG 90 0.643 2.072 8.912 706 HG2 ARG 90 2HG ARG 90 -0.902 3.339 10.246 707 HG3 ARG 90 3HG ARG 90 -1.811 3.868 8.830 708 HD2 ARG 90 2HD ARG 90 -3.190 2.190 9.130 709 HD3 ARG 90 3HD ARG 90 -1.958 1.131 8.573 710 HE ARG 90 HE ARG 90 -1.292 0.584 10.789 711 HH11 ARG 90 1HH1 ARG 90 -3.928 2.920 11.126 712 HH12 ARG 90 2HH1 ARG 90 -4.753 2.056 12.358 713 HH21 ARG 90 1HH2 ARG 90 -2.186 -0.447 12.544 714 HH22 ARG 90 2HH2 ARG 90 -3.649 0.141 13.282 715 H LEU 91 H LEU 91 0.806 3.260 5.444 716 HA LEU 91 HA LEU 91 3.343 2.020 5.350 717 HB2 LEU 91 2HB LEU 91 1.618 1.702 3.583 718 HB3 LEU 91 3HB LEU 91 1.748 3.393 3.135 719 HG LEU 91 HG LEU 91 4.073 3.075 2.431 720 HD11 LEU 91 1HD1 LEU 91 4.932 0.740 2.166 721 HD12 LEU 91 2HD1 LEU 91 3.578 0.155 3.147 722 HD13 LEU 91 3HD1 LEU 91 4.804 1.256 3.840 723 HD21 LEU 91 3HD2 LEU 91 2.262 2.867 0.800 724 HD22 LEU 91 1HD2 LEU 91 2.150 1.128 1.127 725 HD23 LEU 91 2HD2 LEU 91 3.620 1.803 0.394 726 H VAL 92 H VAL 92 2.371 5.316 4.486 727 HA VAL 92 HA VAL 92 4.893 6.272 3.714 728 HB VAL 92 HB VAL 92 2.600 7.701 5.120 729 HG11 VAL 92 1HG1 VAL 92 4.905 8.979 3.629 730 HG12 VAL 92 2HG1 VAL 92 3.420 9.822 4.125 731 HG13 VAL 92 3HG1 VAL 92 4.491 9.161 5.358 732 HG21 VAL 92 3HG2 VAL 92 1.767 8.374 3.021 733 HG22 VAL 92 1HG2 VAL 92 3.253 7.899 2.187 734 HG23 VAL 92 2HG2 VAL 92 2.155 6.664 2.820 735 H ALA 93 H ALA 93 3.499 6.019 6.950 736 HA ALA 93 HA ALA 93 5.433 7.514 8.402 737 HB1 ALA 93 1HB ALA 93 4.500 6.495 10.384 738 HB2 ALA 93 2HB ALA 93 3.177 6.920 9.273 739 HB3 ALA 93 3HB ALA 93 3.703 5.233 9.435 740 H MET 94 H MET 94 5.055 3.940 8.303 741 HA MET 94 HA MET 94 7.493 3.387 9.633 742 HB2 MET 94 2HB MET 94 7.267 1.116 8.789 743 HB3 MET 94 3HB MET 94 5.732 1.734 9.411 744 HG2 MET 94 2HG MET 94 5.147 2.342 7.001 745 HG3 MET 94 3HG MET 94 6.566 1.415 6.526 746 HE1 MET 94 3HE MET 94 6.202 -1.060 8.806 747 HE2 MET 94 1HE MET 94 5.518 -2.181 7.606 748 HE3 MET 94 2HE MET 94 6.840 -1.093 7.141 749 H ILE 95 H ILE 95 6.879 3.929 6.111 750 HA ILE 95 HA ILE 95 9.463 3.143 5.279 751 HB ILE 95 HB ILE 95 7.422 5.118 4.191 752 HG12 ILE 95 2HG1 ILE 95 8.500 2.467 3.099 753 HG13 ILE 95 3HG1 ILE 95 7.043 2.607 4.064 754 HG21 ILE 95 1HG2 ILE 95 8.770 5.365 2.128 755 HG22 ILE 95 2HG2 ILE 95 9.688 5.963 3.495 756 HG23 ILE 95 3HG2 ILE 95 10.066 4.370 2.825 757 HD11 ILE 95 3HD1 ILE 95 7.492 3.784 1.289 758 HD12 ILE 95 1HD1 ILE 95 6.389 2.497 1.755 759 HD13 ILE 95 2HD1 ILE 95 6.087 4.159 2.318 760 H LYS 96 H LYS 96 8.249 6.359 6.437 761 HA LYS 96 HA LYS 96 10.795 7.689 6.152 762 HB2 LYS 96 2HB LYS 96 8.346 8.248 7.898 763 HB3 LYS 96 3HB LYS 96 9.699 9.358 7.751 764 HG2 LYS 96 2HG LYS 96 9.256 9.795 5.441 765 HG3 LYS 96 3HG LYS 96 8.101 8.463 5.321 766 HD2 LYS 96 2HD LYS 96 6.610 9.591 6.930 767 HD3 LYS 96 3HD LYS 96 7.726 10.961 7.030 768 HE2 LYS 96 2HE LYS 96 6.487 9.952 4.429 769 HE3 LYS 96 3HE LYS 96 5.723 11.176 5.447 770 HZ1 LYS 96 3HZ LYS 96 8.271 11.455 3.988 771 HZ2 LYS 96 1HZ LYS 96 7.771 12.488 5.182 772 HZ3 LYS 96 2HZ LYS 96 6.866 12.308 3.826 773 H GLU 97 H GLU 97 9.525 5.650 8.731 774 HA GLU 97 HA GLU 97 11.469 6.604 10.696 775 HB2 GLU 97 2HB GLU 97 9.515 4.273 10.555 776 HB3 GLU 97 3HB GLU 97 10.629 4.503 11.912 777 HG2 GLU 97 2HG GLU 97 9.676 6.732 12.349 778 HG3 GLU 97 3HG GLU 97 8.541 6.542 11.024 779 H LEU 98 H LEU 98 11.170 3.835 8.467 780 HA LEU 98 HA LEU 98 13.503 2.449 9.470 781 HB2 LEU 98 2HB LEU 98 11.962 2.259 6.841 782 HB3 LEU 98 3HB LEU 98 13.212 1.123 7.333 783 HG LEU 98 HG LEU 98 10.749 1.704 9.031 784 HD11 LEU 98 1HD1 LEU 98 9.753 -0.335 8.119 785 HD12 LEU 98 2HD1 LEU 98 11.083 -0.468 6.938 786 HD13 LEU 98 3HD1 LEU 98 9.967 0.905 6.882 787 HD21 LEU 98 3HD2 LEU 98 12.911 -0.374 9.131 788 HD22 LEU 98 1HD2 LEU 98 11.312 -0.629 9.898 789 HD23 LEU 98 2HD2 LEU 98 12.334 0.720 10.400 790 H THR 99 H THR 99 12.972 4.714 6.767 791 HA THR 99 HA THR 99 15.625 4.342 5.693 792 HB THR 99 HB THR 99 15.096 6.407 4.369 793 HG1 THR 99 1HG THR 99 12.844 7.096 4.638 794 HG21 THR 99 3HG2 THR 99 14.435 4.367 3.355 795 HG22 THR 99 1HG2 THR 99 13.004 5.392 3.275 796 HG23 THR 99 2HG2 THR 99 13.086 4.122 4.475 797 H THR 100 H THR 100 14.492 6.105 8.429 798 HA THR 100 HA THR 100 17.079 7.559 8.557 799 HB THR 100 HB THR 100 14.856 8.800 8.249 800 HG1 THR 100 1HG THR 100 16.993 9.593 9.061 801 HG21 THR 100 3HG2 THR 100 13.669 7.546 10.135 802 HG22 THR 100 1HG2 THR 100 13.498 9.307 10.131 803 HG23 THR 100 2HG2 THR 100 14.617 8.528 11.254 804 H GLU 101 H GLU 101 17.369 8.246 11.019 805 HA GLU 101 HA GLU 101 17.806 5.711 12.491 806 HB2 GLU 101 2HB GLU 101 18.762 8.598 12.771 807 HB3 GLU 101 3HB GLU 101 19.125 7.366 13.983 808 HG2 GLU 101 2HG GLU 101 19.849 6.866 11.079 809 HG3 GLU 101 3HG GLU 101 20.832 7.921 12.091 810 H LYS 102 H LYS 102 17.122 5.527 14.701 811 HA LYS 102 HA LYS 102 14.653 6.990 15.336 812 HB2 LYS 102 2HB LYS 102 14.975 4.511 15.551 813 HB3 LYS 102 3HB LYS 102 16.100 4.796 16.881 814 HG2 LYS 102 2HG LYS 102 14.339 5.792 18.233 815 HG3 LYS 102 3HG LYS 102 13.208 5.780 16.871 816 HD2 LYS 102 2HD LYS 102 14.450 3.275 18.079 817 HD3 LYS 102 3HD LYS 102 12.893 3.914 18.596 818 HE2 LYS 102 2HE LYS 102 13.467 3.220 15.683 819 HE3 LYS 102 3HE LYS 102 12.929 2.010 16.850 820 HZ1 LYS 102 3HZ LYS 102 11.181 3.136 15.483 821 HZ2 LYS 102 1HZ LYS 102 11.343 4.469 16.467 822 HZ3 LYS 102 2HZ LYS 102 10.906 3.006 17.080 823 H LYS 103 H LYS 103 18.022 7.134 16.131 824 HA LYS 103 HA LYS 103 17.980 8.260 18.733 825 HB2 LYS 103 2HB LYS 103 19.890 8.778 16.397 826 HB3 LYS 103 3HB LYS 103 20.201 9.229 18.068 827 HG2 LYS 103 2HG LYS 103 19.839 6.355 17.096 828 HG3 LYS 103 3HG LYS 103 21.383 7.170 17.348 829 HD2 LYS 103 2HD LYS 103 20.745 7.551 19.757 830 HD3 LYS 103 3HD LYS 103 19.304 6.538 19.471 831 HE2 LYS 103 2HE LYS 103 20.796 4.680 18.740 832 HE3 LYS 103 3HE LYS 103 22.207 5.684 19.081 833 HZ1 LYS 103 3HZ LYS 103 21.722 4.202 20.915 834 HZ2 LYS 103 1HZ LYS 103 20.223 4.807 21.097 835 HZ3 LYS 103 2HZ LYS 103 21.535 5.759 21.395 836 H ALA 104 H ALA 104 17.929 10.361 19.502 837 HA ALA 104 HA ALA 104 16.382 12.253 17.922 838 HB1 ALA 104 1HB ALA 104 16.151 11.900 20.429 839 HB2 ALA 104 2HB ALA 104 17.779 12.599 20.616 840 HB3 ALA 104 3HB ALA 104 16.455 13.583 19.974 841 H ARG 105 H ARG 105 17.170 14.623 17.874 842 HA ARG 105 HA ARG 105 19.706 14.677 16.509 843 HB2 ARG 105 2HB ARG 105 17.664 16.069 15.918 844 HB3 ARG 105 3HB ARG 105 17.929 16.982 17.398 845 HG2 ARG 105 2HG ARG 105 18.835 18.301 15.694 846 HG3 ARG 105 3HG ARG 105 20.256 17.572 16.438 847 HD2 ARG 105 2HD ARG 105 18.895 16.451 13.950 848 HD3 ARG 105 3HD ARG 105 20.158 17.668 13.882 849 HE ARG 105 HE ARG 105 20.425 14.849 14.357 850 HH11 ARG 105 1HH1 ARG 105 21.987 18.008 14.753 851 HH12 ARG 105 2HH1 ARG 105 23.609 17.414 14.702 852 HH21 ARG 105 1HH2 ARG 105 22.566 14.010 14.418 853 HH22 ARG 105 2HH2 ARG 105 23.953 15.016 14.642 854 H ARG 106 H ARG 106 21.550 14.597 17.642 855 HA ARG 106 HA ARG 106 23.235 14.975 19.090 856 HB2 ARG 106 2HB ARG 106 21.606 17.395 19.966 857 HB3 ARG 106 3HB ARG 106 23.204 17.097 20.514 858 HG2 ARG 106 2HG ARG 106 22.473 17.461 17.588 859 HG3 ARG 106 3HG ARG 106 22.957 18.753 18.662 860 HD2 ARG 106 2HD ARG 106 24.663 16.419 17.751 861 HD3 ARG 106 3HD ARG 106 24.852 18.105 17.288 862 HE ARG 106 HE ARG 106 25.957 16.807 19.551 863 HH11 ARG 106 1HH1 ARG 106 24.745 19.988 18.550 864 HH12 ARG 106 2HH1 ARG 106 25.445 20.836 19.892 865 HH21 ARG 106 1HH2 ARG 106 26.940 17.952 21.286 866 HH22 ARG 106 2HH2 ARG 106 26.550 19.611 21.581 867 HA PRO 107 HA PRO 107 21.975 12.854 22.687 868 HB2 PRO 107 2HB PRO 107 23.971 13.174 24.532 869 HB3 PRO 107 3HB PRO 107 24.203 12.282 22.996 870 HG2 PRO 107 2HG PRO 107 24.948 15.148 23.627 871 HG3 PRO 107 3HG PRO 107 25.930 13.902 22.795 872 HD2 PRO 107 2HD PRO 107 24.477 15.831 21.499 873 HD3 PRO 107 3HD PRO 107 24.774 14.234 20.772 874 H THR 108 H THR 108 21.092 12.993 24.803 875 HA THR 108 HA THR 108 20.022 15.643 25.452 876 HB THR 108 HB THR 108 18.621 13.608 25.296 877 HG1 THR 108 1HG THR 108 17.374 14.687 26.431 878 HG21 THR 108 3HG2 THR 108 19.717 12.816 28.020 879 HG22 THR 108 1HG2 THR 108 20.140 11.994 26.507 880 HG23 THR 108 2HG2 THR 108 18.462 12.003 27.079 881 H ARG 109 H ARG 109 19.748 15.774 28.049 882 HA ARG 109 HA ARG 109 22.482 15.601 29.287 883 HB2 ARG 109 2HB ARG 109 20.507 17.912 29.473 884 HB3 ARG 109 3HB ARG 109 21.979 17.763 30.435 885 HG2 ARG 109 2HG ARG 109 23.400 17.890 28.480 886 HG3 ARG 109 3HG ARG 109 22.011 17.872 27.386 887 HD2 ARG 109 2HD ARG 109 22.550 20.038 29.460 888 HD3 ARG 109 3HD ARG 109 22.963 20.144 27.739 889 HE ARG 109 HE ARG 109 20.206 19.465 27.990 890 HH11 ARG 109 1HH1 ARG 109 22.382 22.235 28.360 891 HH12 ARG 109 2HH1 ARG 109 21.143 23.425 28.143 892 HH21 ARG 109 1HH2 ARG 109 18.530 21.061 27.751 893 HH22 ARG 109 2HH2 ARG 109 18.993 22.708 27.490 894 H SER 110 H SER 110 18.962 15.438 29.739 895 HA SER 110 HA SER 110 19.218 14.995 32.612 896 HB2 SER 110 2HB SER 110 17.316 16.205 31.377 897 HB3 SER 110 3HB SER 110 16.750 14.605 30.873 898 HG SER 110 HG SER 110 16.413 14.090 33.013 899 H GLY 111 H GLY 111 20.747 13.144 32.445 900 HA2 GLY 111 2HA GLY 111 19.825 10.707 32.995 901 HA3 GLY 111 3HA GLY 111 19.750 10.672 31.218 902 HA PRO 112 HA PRO 112 24.059 9.479 32.708 903 HB2 PRO 112 2HB PRO 112 24.183 6.940 31.772 904 HB3 PRO 112 3HB PRO 112 23.308 7.299 33.279 905 HG2 PRO 112 2HG PRO 112 22.105 7.047 30.503 906 HG3 PRO 112 3HG PRO 112 21.601 6.217 32.015 907 HD2 PRO 112 2HD PRO 112 20.382 8.493 31.211 908 HD3 PRO 112 3HD PRO 112 20.743 8.197 32.945 909 H SER 113 H SER 113 25.907 8.604 31.190 910 HA SER 113 HA SER 113 25.552 9.767 28.492 911 HB2 SER 113 2HB SER 113 28.003 10.083 28.676 912 HB3 SER 113 3HB SER 113 27.129 10.948 29.944 913 HG SER 113 HG SER 113 29.054 9.635 30.518 914 H SER 114 H SER 114 27.481 8.783 27.112 915 HA SER 114 HA SER 114 27.016 5.883 26.890 916 HB2 SER 114 2HB SER 114 26.550 7.537 25.024 917 HB3 SER 114 3HB SER 114 28.285 7.880 24.964 918 HG SER 114 HG SER 114 28.663 5.966 24.143 919 H GLY 115 H GLY 115 28.912 7.604 28.802 920 HA2 GLY 115 2HA GLY 115 30.735 6.831 29.983 921 HA3 GLY 115 3HA GLY 115 31.241 5.819 28.612 922 H GLU 116 H GLU 116 32.767 7.819 30.199 923 HA GLU 116 HA GLU 116 33.817 9.516 28.016 924 HB2 GLU 116 2HB GLU 116 33.093 10.286 30.891 925 HB3 GLU 116 3HB GLU 116 34.305 11.137 29.949 926 HG2 GLU 116 2HG GLU 116 32.336 12.410 29.773 927 HG3 GLU 116 3HG GLU 116 32.624 11.666 28.207 928 H ASN 117 H ASN 117 35.912 8.794 27.744 929 HA ASN 117 HA ASN 117 37.078 7.020 29.752 930 HB2 ASN 117 2HB ASN 117 38.899 6.727 28.170 931 HB3 ASN 117 3HB ASN 117 37.368 6.591 27.309 932 HD21 ASN 117 1HD2 ASN 117 40.297 8.717 27.778 933 HD22 ASN 117 2HD2 ASN 117 39.865 9.676 26.371 934 H LEU 118 H LEU 118 39.171 7.350 30.676 935 HA LEU 118 HA LEU 118 39.551 9.996 31.755 936 HB2 LEU 118 2HB LEU 118 40.030 7.909 33.025 937 HB3 LEU 118 3HB LEU 118 41.269 7.472 31.843 938 HG LEU 118 HG LEU 118 42.597 9.457 32.491 939 HD11 LEU 118 1HD1 LEU 118 42.036 10.682 34.579 940 HD12 LEU 118 2HD1 LEU 118 40.472 9.848 34.651 941 HD13 LEU 118 3HD1 LEU 118 40.831 10.976 33.326 942 HD21 LEU 118 3HD2 LEU 118 41.818 7.655 34.827 943 HD22 LEU 118 1HD2 LEU 118 43.314 8.605 34.688 944 HD23 LEU 118 2HD2 LEU 118 43.015 7.282 33.562 945 H TYR 119 H TYR 119 41.209 11.516 31.169 946 HA TYR 119 HA TYR 119 42.904 10.889 28.850 947 HB2 TYR 119 2HB TYR 119 40.634 12.241 28.535 948 HB3 TYR 119 3HB TYR 119 41.559 13.574 29.225 949 HD1 TYR 119 1HD TYR 119 41.796 10.838 26.779 950 HD2 TYR 119 2HD TYR 119 42.927 14.820 27.752 951 HE1 TYR 119 1HE TYR 119 42.802 11.089 24.452 952 HE2 TYR 119 2HE TYR 119 43.939 15.141 25.485 953 HH TYR 119 HH TYR 119 44.377 14.142 23.442 954 H PHE 120 H PHE 120 43.283 11.211 31.910 955 HA PHE 120 HA PHE 120 45.759 12.697 31.801 956 HB2 PHE 120 2HB PHE 120 45.164 14.154 33.735 957 HB3 PHE 120 3HB PHE 120 44.287 14.541 32.278 958 HD1 PHE 120 1HD PHE 120 41.864 14.170 32.081 959 HD2 PHE 120 2HD PHE 120 43.981 13.245 35.734 960 HE1 PHE 120 1HE PHE 120 39.706 14.024 33.303 961 HE2 PHE 120 2HE PHE 120 41.839 13.096 36.935 962 HZ PHE 120 HZ PHE 120 39.687 13.484 35.733 963 H GLN 121 H GLN 121 46.134 12.682 34.684 964 HA GLN 121 HA GLN 121 45.654 10.063 35.708 965 HB2 GLN 121 2HB GLN 121 48.038 9.608 36.096 966 HB3 GLN 121 3HB GLN 121 47.661 9.617 34.377 967 HG2 GLN 121 2HG GLN 121 48.580 12.023 34.313 968 HG3 GLN 121 3HG GLN 121 49.111 11.774 35.978 969 HE21 GLN 121 1HE2 GLN 121 49.229 9.924 32.858 970 HE22 GLN 121 2HE2 GLN 121 50.951 9.552 33.013 Start of MODEL 7 1 H1 MET 1 H MET 1 -0.851 9.190 -3.696 2 HA MET 1 HA MET 1 0.848 9.344 -5.488 3 HB2 MET 1 2HB MET 1 1.171 12.153 -4.363 4 HB3 MET 1 3HB MET 1 2.275 11.392 -5.499 5 HG2 MET 1 2HG MET 1 -0.608 12.125 -5.997 6 HG3 MET 1 3HG MET 1 0.832 12.753 -6.800 7 HE1 MET 1 3HE MET 1 1.999 9.706 -8.998 8 HE2 MET 1 1HE MET 1 2.390 11.331 -8.402 9 HE3 MET 1 2HE MET 1 2.541 9.923 -7.326 10 H ILE 2 H ILE 2 0.588 9.180 -2.119 11 HA ILE 2 HA ILE 2 2.049 8.844 -0.429 12 HB ILE 2 HB ILE 2 3.170 6.786 -2.352 13 HG12 ILE 2 2HG1 ILE 2 0.439 6.862 -1.011 14 HG13 ILE 2 3HG1 ILE 2 0.798 6.760 -2.738 15 HG21 ILE 2 1HG2 ILE 2 3.427 5.399 -0.440 16 HG22 ILE 2 2HG2 ILE 2 3.978 6.979 0.107 17 HG23 ILE 2 3HG2 ILE 2 2.353 6.402 0.537 18 HD11 ILE 2 3HD1 ILE 2 0.030 4.623 -2.024 19 HD12 ILE 2 1HD1 ILE 2 1.765 4.440 -2.281 20 HD13 ILE 2 2HD1 ILE 2 1.113 4.585 -0.636 21 H VAL 3 H VAL 3 2.984 11.082 -1.642 22 HA VAL 3 HA VAL 3 5.735 10.857 -2.415 23 HB VAL 3 HB VAL 3 4.537 13.397 -1.463 24 HG11 VAL 3 1HG1 VAL 3 6.914 13.488 -1.781 25 HG12 VAL 3 2HG1 VAL 3 6.774 12.914 -3.430 26 HG13 VAL 3 3HG1 VAL 3 6.090 14.486 -2.987 27 HG21 VAL 3 3HG2 VAL 3 3.820 13.955 -3.718 28 HG22 VAL 3 1HG2 VAL 3 4.037 12.242 -4.150 29 HG23 VAL 3 2HG2 VAL 3 2.879 12.711 -2.900 30 H ILE 4 H ILE 4 6.921 9.845 -1.075 31 HA ILE 4 HA ILE 4 6.988 10.321 1.766 32 HB ILE 4 HB ILE 4 9.171 8.972 0.142 33 HG12 ILE 4 2HG1 ILE 4 7.129 7.871 -0.467 34 HG13 ILE 4 3HG1 ILE 4 8.125 6.842 0.525 35 HG21 ILE 4 1HG2 ILE 4 9.528 7.703 2.271 36 HG22 ILE 4 2HG2 ILE 4 9.891 9.422 2.393 37 HG23 ILE 4 3HG2 ILE 4 8.379 8.788 3.067 38 HD11 ILE 4 3HD1 ILE 4 6.643 7.384 2.499 39 HD12 ILE 4 1HD1 ILE 4 5.601 8.294 1.361 40 HD13 ILE 4 2HD1 ILE 4 5.840 6.550 1.162 41 H SER 5 H SER 5 9.019 11.185 -1.066 42 HA SER 5 HA SER 5 10.037 13.579 0.175 43 HB2 SER 5 2HB SER 5 11.506 11.672 1.047 44 HB3 SER 5 3HB SER 5 12.008 11.381 -0.630 45 HG SER 5 HG SER 5 13.082 13.021 1.040 46 H ARG 6 H ARG 6 11.753 14.424 -1.587 47 HA ARG 6 HA ARG 6 10.537 15.259 -3.859 48 HB2 ARG 6 2HB ARG 6 12.618 16.099 -2.946 49 HB3 ARG 6 3HB ARG 6 13.478 14.619 -3.376 50 HG2 ARG 6 2HG ARG 6 13.088 15.159 -5.798 51 HG3 ARG 6 3HG ARG 6 12.342 16.688 -5.302 52 HD2 ARG 6 2HD ARG 6 15.212 15.764 -4.785 53 HD3 ARG 6 3HD ARG 6 14.700 17.007 -5.925 54 HE ARG 6 HE ARG 6 13.928 17.485 -3.136 55 HH11 ARG 6 1HH1 ARG 6 16.515 18.022 -5.524 56 HH12 ARG 6 2HH1 ARG 6 17.352 19.163 -4.569 57 HH21 ARG 6 1HH2 ARG 6 14.874 19.081 -1.947 58 HH22 ARG 6 2HH2 ARG 6 16.287 19.923 -2.509 59 H HIS 7 H HIS 7 13.002 12.675 -4.171 60 HA HIS 7 HA HIS 7 11.878 11.861 -6.735 61 HB2 HIS 7 2HB HIS 7 14.185 10.717 -5.122 62 HB3 HIS 7 3HB HIS 7 13.849 10.414 -6.822 63 HD1 HIS 7 1HD HIS 7 13.557 13.335 -7.991 64 HD2 HIS 7 2HD HIS 7 16.437 12.033 -5.183 65 HE1 HIS 7 1HE HIS 7 15.525 14.899 -8.213 66 H VAL 8 H VAL 8 10.401 11.199 -3.915 67 HA VAL 8 HA VAL 8 9.963 8.337 -4.624 68 HB VAL 8 HB VAL 8 10.328 9.426 -1.817 69 HG11 VAL 8 1HG1 VAL 8 10.292 7.048 -1.167 70 HG12 VAL 8 2HG1 VAL 8 8.806 7.503 -2.020 71 HG13 VAL 8 3HG1 VAL 8 10.064 6.594 -2.877 72 HG21 VAL 8 3HG2 VAL 8 12.255 7.884 -3.571 73 HG22 VAL 8 1HG2 VAL 8 12.543 9.434 -2.757 74 HG23 VAL 8 2HG2 VAL 8 12.413 7.957 -1.807 75 H ALA 9 H ALA 9 7.941 8.430 -5.410 76 HA ALA 9 HA ALA 9 5.736 9.073 -3.642 77 HB1 ALA 9 1HB ALA 9 6.433 10.801 -6.035 78 HB2 ALA 9 2HB ALA 9 4.755 10.599 -5.514 79 HB3 ALA 9 3HB ALA 9 5.927 11.287 -4.394 80 H ILE 10 H ILE 10 4.473 7.338 -3.925 81 HA ILE 10 HA ILE 10 4.643 5.737 -6.410 82 HB ILE 10 HB ILE 10 2.944 5.176 -3.954 83 HG12 ILE 10 2HG1 ILE 10 5.776 4.199 -4.487 84 HG13 ILE 10 3HG1 ILE 10 5.298 5.392 -3.277 85 HG21 ILE 10 1HG2 ILE 10 2.371 3.882 -6.023 86 HG22 ILE 10 2HG2 ILE 10 4.041 3.277 -6.069 87 HG23 ILE 10 3HG2 ILE 10 2.941 2.852 -4.743 88 HD11 ILE 10 3HD1 ILE 10 4.433 2.491 -3.197 89 HD12 ILE 10 1HD1 ILE 10 5.728 3.226 -2.265 90 HD13 ILE 10 2HD1 ILE 10 4.059 3.755 -1.991 91 HA PRO 11 HA PRO 11 0.887 7.797 -7.779 92 HB2 PRO 11 2HB PRO 11 0.171 6.300 -9.902 93 HB3 PRO 11 3HB PRO 11 1.694 7.247 -9.865 94 HG2 PRO 11 2HG PRO 11 1.364 4.306 -9.121 95 HG3 PRO 11 3HG PRO 11 2.412 4.971 -10.407 96 HD2 PRO 11 2HD PRO 11 3.434 4.587 -7.961 97 HD3 PRO 11 3HD PRO 11 3.780 6.131 -8.792 98 H ASP 12 H ASP 12 0.835 5.205 -5.891 99 HA ASP 12 HA ASP 12 -0.616 4.036 -4.682 100 HB2 ASP 12 2HB ASP 12 -2.067 6.437 -5.309 101 HB3 ASP 12 3HB ASP 12 -3.194 5.082 -5.348 102 H GLY 13 H GLY 13 -0.676 3.843 -8.018 103 HA2 GLY 13 2HA GLY 13 -2.745 1.743 -8.211 104 HA3 GLY 13 3HA GLY 13 -1.854 2.507 -9.527 105 H GLU 14 H GLU 14 0.713 2.089 -7.911 106 HA GLU 14 HA GLU 14 1.532 -0.408 -9.069 107 HB2 GLU 14 2HB GLU 14 2.720 1.819 -7.403 108 HB3 GLU 14 3HB GLU 14 3.615 0.329 -7.476 109 HG2 GLU 14 2HG GLU 14 2.788 1.147 -10.173 110 HG3 GLU 14 3HG GLU 14 3.660 2.430 -9.341 111 H LEU 15 H LEU 15 -0.311 -0.039 -6.320 112 HA LEU 15 HA LEU 15 1.141 -2.093 -4.728 113 HB2 LEU 15 2HB LEU 15 -1.322 -0.613 -3.834 114 HB3 LEU 15 3HB LEU 15 -0.074 -1.461 -2.892 115 HG LEU 15 HG LEU 15 0.286 1.183 -4.430 116 HD11 LEU 15 1HD1 LEU 15 0.475 2.273 -2.328 117 HD12 LEU 15 2HD1 LEU 15 0.326 0.764 -1.429 118 HD13 LEU 15 3HD1 LEU 15 -1.073 1.371 -2.357 119 HD21 LEU 15 3HD2 LEU 15 2.403 -0.055 -4.324 120 HD22 LEU 15 1HD2 LEU 15 2.132 -0.351 -2.589 121 HD23 LEU 15 2HD2 LEU 15 2.453 1.288 -3.172 122 H GLU 16 H GLU 16 -0.306 -3.638 -3.461 123 HA GLU 16 HA GLU 16 -2.478 -4.719 -5.184 124 HB2 GLU 16 2HB GLU 16 -0.192 -6.020 -5.167 125 HB3 GLU 16 3HB GLU 16 -0.619 -6.434 -3.517 126 HG2 GLU 16 2HG GLU 16 -1.525 -8.229 -4.620 127 HG3 GLU 16 3HG GLU 16 -2.926 -7.176 -4.565 128 H ILE 17 H ILE 17 -4.357 -4.802 -4.018 129 HA ILE 17 HA ILE 17 -4.257 -4.570 -1.040 130 HB ILE 17 HB ILE 17 -6.016 -3.342 -3.196 131 HG12 ILE 17 2HG1 ILE 17 -5.574 -1.313 -1.583 132 HG13 ILE 17 3HG1 ILE 17 -4.198 -2.266 -1.009 133 HG21 ILE 17 1HG2 ILE 17 -7.486 -2.389 -1.446 134 HG22 ILE 17 2HG2 ILE 17 -7.641 -4.124 -1.580 135 HG23 ILE 17 3HG2 ILE 17 -6.682 -3.423 -0.244 136 HD11 ILE 17 3HD1 ILE 17 -3.752 -0.491 -2.673 137 HD12 ILE 17 1HD1 ILE 17 -3.173 -2.093 -3.192 138 HD13 ILE 17 2HD1 ILE 17 -4.666 -1.404 -3.888 139 H THR 18 H THR 18 -6.061 -5.640 0.101 140 HA THR 18 HA THR 18 -7.650 -7.551 -1.413 141 HB THR 18 HB THR 18 -6.657 -9.112 0.777 142 HG1 THR 18 1HG THR 18 -4.531 -9.291 0.408 143 HG21 THR 18 3HG2 THR 18 -6.124 -10.699 -0.986 144 HG22 THR 18 1HG2 THR 18 -6.135 -9.404 -2.204 145 HG23 THR 18 2HG2 THR 18 -7.641 -9.891 -1.388 146 H ALA 19 H ALA 19 -9.530 -8.190 -0.378 147 HA ALA 19 HA ALA 19 -10.341 -6.585 1.969 148 HB1 ALA 19 1HB ALA 19 -11.984 -6.986 0.162 149 HB2 ALA 19 2HB ALA 19 -11.677 -8.734 0.219 150 HB3 ALA 19 3HB ALA 19 -12.480 -7.946 1.569 151 H ILE 20 H ILE 20 -10.438 -7.323 4.023 152 HA ILE 20 HA ILE 20 -9.791 -10.189 4.411 153 HB ILE 20 HB ILE 20 -8.620 -9.323 6.501 154 HG12 ILE 20 2HG1 ILE 20 -8.244 -6.820 4.855 155 HG13 ILE 20 3HG1 ILE 20 -9.272 -6.958 6.265 156 HG21 ILE 20 1HG2 ILE 20 -7.670 -10.383 4.383 157 HG22 ILE 20 2HG2 ILE 20 -7.424 -8.746 3.769 158 HG23 ILE 20 3HG2 ILE 20 -6.551 -9.314 5.233 159 HD11 ILE 20 3HD1 ILE 20 -7.197 -6.029 7.031 160 HD12 ILE 20 1HD1 ILE 20 -7.218 -7.703 7.592 161 HD13 ILE 20 2HD1 ILE 20 -6.250 -7.242 6.165 162 H ARG 21 H ARG 21 -10.959 -11.374 5.449 163 HA ARG 21 HA ARG 21 -13.173 -10.429 7.163 164 HB2 ARG 21 2HB ARG 21 -14.044 -11.620 5.333 165 HB3 ARG 21 3HB ARG 21 -12.744 -12.827 5.375 166 HG2 ARG 21 2HG ARG 21 -13.613 -13.893 7.309 167 HG3 ARG 21 3HG ARG 21 -14.778 -12.626 7.634 168 HD2 ARG 21 2HD ARG 21 -14.794 -14.469 5.212 169 HD3 ARG 21 3HD ARG 21 -15.758 -14.686 6.666 170 HE ARG 21 HE ARG 21 -16.003 -12.372 4.785 171 HH11 ARG 21 1HH1 ARG 21 -17.725 -14.565 7.074 172 HH12 ARG 21 2HH1 ARG 21 -19.246 -14.237 6.307 173 HH21 ARG 21 1HH2 ARG 21 -17.913 -11.863 4.037 174 HH22 ARG 21 2HH2 ARG 21 -19.415 -12.490 4.680 175 H ALA 22 H ALA 22 -12.647 -10.666 9.316 176 HA ALA 22 HA ALA 22 -10.436 -12.439 10.086 177 HB1 ALA 22 1HB ALA 22 -10.771 -10.260 11.254 178 HB2 ALA 22 2HB ALA 22 -12.422 -10.748 11.689 179 HB3 ALA 22 3HB ALA 22 -11.030 -11.606 12.382 180 H GLN 23 H GLN 23 -10.809 -14.344 11.443 181 HA GLN 23 HA GLN 23 -13.614 -15.281 11.643 182 HB2 GLN 23 2HB GLN 23 -11.437 -16.881 10.224 183 HB3 GLN 23 3HB GLN 23 -13.032 -17.498 10.704 184 HG2 GLN 23 2HG GLN 23 -14.092 -15.677 9.325 185 HG3 GLN 23 3HG GLN 23 -12.481 -15.253 8.732 186 HE21 GLN 23 1HE2 GLN 23 -11.459 -16.608 7.166 187 HE22 GLN 23 2HE2 GLN 23 -12.466 -17.768 6.287 188 H GLY 24 H GLY 24 -10.273 -15.359 12.844 189 HA2 GLY 24 2HA GLY 24 -10.766 -17.511 14.714 190 HA3 GLY 24 3HA GLY 24 -9.412 -16.359 14.724 191 H ALA 25 H ALA 25 -10.950 -17.156 17.057 192 HA ALA 25 HA ALA 25 -12.990 -15.429 17.786 193 HB1 ALA 25 1HB ALA 25 -10.822 -16.586 19.597 194 HB2 ALA 25 2HB ALA 25 -12.414 -15.980 20.097 195 HB3 ALA 25 3HB ALA 25 -12.311 -17.422 19.076 196 H GLY 26 H GLY 26 -13.152 -13.511 18.937 197 HA2 GLY 26 2HA GLY 26 -10.851 -11.616 18.757 198 HA3 GLY 26 3HA GLY 26 -12.566 -11.194 18.701 199 H GLY 27 H GLY 27 -9.837 -11.927 20.771 200 HA2 GLY 27 2HA GLY 27 -11.517 -11.609 23.222 201 HA3 GLY 27 3HA GLY 27 -10.005 -12.519 23.136 202 H GLN 28 H GLN 28 -9.736 -10.781 25.012 203 HA GLN 28 HA GLN 28 -8.748 -8.897 25.828 204 HB2 GLN 28 2HB GLN 28 -7.161 -8.758 23.248 205 HB3 GLN 28 3HB GLN 28 -6.674 -8.260 24.870 206 HG2 GLN 28 2HG GLN 28 -6.757 -10.746 25.489 207 HG3 GLN 28 3HG GLN 28 -6.943 -11.081 23.762 208 HE21 GLN 28 1HE2 GLN 28 -4.593 -11.159 26.085 209 HE22 GLN 28 2HE2 GLN 28 -3.241 -10.517 25.204 210 H HIS 29 H HIS 29 -11.128 -8.567 23.937 211 HA HIS 29 HA HIS 29 -12.369 -7.054 22.885 212 HB2 HIS 29 2HB HIS 29 -11.905 -6.140 25.316 213 HB3 HIS 29 3HB HIS 29 -11.119 -4.828 24.425 214 HD1 HIS 29 1HD HIS 29 -12.973 -2.872 23.838 215 HD2 HIS 29 2HD HIS 29 -14.481 -6.817 24.123 216 HE1 HIS 29 1HE HIS 29 -15.489 -2.685 23.811 217 H VAL 30 H VAL 30 -9.946 -7.698 21.608 218 HA VAL 30 HA VAL 30 -8.484 -5.576 20.556 219 HB VAL 30 HB VAL 30 -7.890 -7.963 20.512 220 HG11 VAL 30 1HG1 VAL 30 -9.864 -8.337 18.252 221 HG12 VAL 30 2HG1 VAL 30 -8.931 -9.569 19.151 222 HG13 VAL 30 3HG1 VAL 30 -10.281 -8.708 19.929 223 HG21 VAL 30 3HG2 VAL 30 -7.081 -8.025 18.126 224 HG22 VAL 30 1HG2 VAL 30 -8.065 -6.563 17.835 225 HG23 VAL 30 2HG2 VAL 30 -6.731 -6.512 18.988 226 H ASN 31 H ASN 31 -8.939 -4.044 19.127 227 HA ASN 31 HA ASN 31 -11.607 -4.026 17.874 228 HB2 ASN 31 2HB ASN 31 -11.281 -1.757 17.411 229 HB3 ASN 31 3HB ASN 31 -10.764 -2.060 19.055 230 HD21 ASN 31 1HD2 ASN 31 -8.430 -2.110 19.513 231 HD22 ASN 31 2HD2 ASN 31 -7.409 -1.077 18.496 232 H LYS 32 H LYS 32 -11.591 -5.573 16.362 233 HA LYS 32 HA LYS 32 -9.883 -5.313 13.942 234 HB2 LYS 32 2HB LYS 32 -10.420 -7.797 15.639 235 HB3 LYS 32 3HB LYS 32 -10.016 -7.935 13.937 236 HG2 LYS 32 2HG LYS 32 -8.174 -6.346 15.711 237 HG3 LYS 32 3HG LYS 32 -8.167 -8.115 15.823 238 HD2 LYS 32 2HD LYS 32 -7.684 -8.292 13.434 239 HD3 LYS 32 3HD LYS 32 -7.707 -6.535 13.270 240 HE2 LYS 32 2HE LYS 32 -5.804 -8.089 15.061 241 HE3 LYS 32 3HE LYS 32 -5.418 -7.549 13.421 242 HZ1 LYS 32 3HZ LYS 32 -5.802 -5.252 14.206 243 HZ2 LYS 32 1HZ LYS 32 -4.547 -5.995 15.021 244 HZ3 LYS 32 2HZ LYS 32 -6.009 -5.759 15.714 245 H THR 33 H THR 33 -11.066 -6.235 12.037 246 HA THR 33 HA THR 33 -13.899 -6.927 12.507 247 HB THR 33 HB THR 33 -14.446 -5.254 10.606 248 HG1 THR 33 1HG THR 33 -12.398 -3.649 11.471 249 HG21 THR 33 3HG2 THR 33 -13.662 -4.069 13.272 250 HG22 THR 33 1HG2 THR 33 -15.201 -4.871 12.889 251 HG23 THR 33 2HG2 THR 33 -14.744 -3.366 12.064 252 H SER 34 H SER 34 -14.964 -7.347 10.350 253 HA SER 34 HA SER 34 -13.212 -8.987 8.614 254 HB2 SER 34 2HB SER 34 -14.814 -10.246 9.774 255 HB3 SER 34 3HB SER 34 -16.139 -9.122 9.432 256 HG SER 34 HG SER 34 -15.715 -9.680 7.156 257 H THR 35 H THR 35 -14.105 -5.967 8.684 258 HA THR 35 HA THR 35 -14.781 -5.715 5.817 259 HB THR 35 HB THR 35 -15.487 -3.567 7.819 260 HG1 THR 35 1HG THR 35 -17.604 -4.949 7.843 261 HG21 THR 35 3HG2 THR 35 -16.813 -4.830 5.394 262 HG22 THR 35 1HG2 THR 35 -15.862 -3.331 5.457 263 HG23 THR 35 2HG2 THR 35 -17.434 -3.406 6.286 264 H ALA 36 H ALA 36 -12.244 -6.052 7.164 265 HA ALA 36 HA ALA 36 -10.943 -3.361 7.164 266 HB1 ALA 36 1HB ALA 36 -10.473 -4.796 9.074 267 HB2 ALA 36 2HB ALA 36 -10.094 -6.193 8.052 268 HB3 ALA 36 3HB ALA 36 -9.004 -4.796 8.068 269 H ILE 37 H ILE 37 -8.574 -3.482 6.296 270 HA ILE 37 HA ILE 37 -8.590 -4.779 3.604 271 HB ILE 37 HB ILE 37 -8.006 -1.887 4.329 272 HG12 ILE 37 2HG1 ILE 37 -10.375 -2.488 3.707 273 HG13 ILE 37 3HG1 ILE 37 -9.644 -1.313 2.631 274 HG21 ILE 37 1HG2 ILE 37 -6.148 -2.344 2.977 275 HG22 ILE 37 2HG2 ILE 37 -7.090 -3.372 1.873 276 HG23 ILE 37 3HG2 ILE 37 -7.321 -1.626 1.894 277 HD11 ILE 37 3HD1 ILE 37 -10.898 -2.861 1.323 278 HD12 ILE 37 1HD1 ILE 37 -9.199 -3.142 0.963 279 HD13 ILE 37 2HD1 ILE 37 -10.080 -4.270 2.040 280 H HIS 38 H HIS 38 -6.751 -5.424 2.840 281 HA HIS 38 HA HIS 38 -4.355 -5.437 4.566 282 HB2 HIS 38 2HB HIS 38 -5.517 -7.634 4.006 283 HB3 HIS 38 3HB HIS 38 -5.114 -7.364 2.324 284 HD1 HIS 38 1HD HIS 38 -2.529 -8.200 1.708 285 HD2 HIS 38 2HD HIS 38 -3.578 -7.897 5.774 286 HE1 HIS 38 1HE HIS 38 -0.567 -9.075 3.020 287 H LEU 39 H LEU 39 -2.814 -4.109 3.767 288 HA LEU 39 HA LEU 39 -2.914 -3.174 0.925 289 HB2 LEU 39 2HB LEU 39 -3.440 -1.445 2.543 290 HB3 LEU 39 3HB LEU 39 -2.036 -1.822 3.515 291 HG LEU 39 HG LEU 39 -1.694 -0.963 0.629 292 HD11 LEU 39 1HD1 LEU 39 -1.763 1.027 2.901 293 HD12 LEU 39 2HD1 LEU 39 -3.106 0.809 1.753 294 HD13 LEU 39 3HD1 LEU 39 -1.530 1.345 1.182 295 HD21 LEU 39 3HD2 LEU 39 0.394 0.105 1.682 296 HD22 LEU 39 1HD2 LEU 39 0.378 -1.635 1.782 297 HD23 LEU 39 2HD2 LEU 39 -0.043 -0.675 3.210 298 H ARG 40 H ARG 40 -1.369 -4.368 -0.225 299 HA ARG 40 HA ARG 40 1.108 -5.142 1.201 300 HB2 ARG 40 2HB ARG 40 -0.393 -6.973 0.490 301 HB3 ARG 40 3HB ARG 40 -0.242 -6.478 -1.192 302 HG2 ARG 40 2HG ARG 40 1.993 -7.184 -1.366 303 HG3 ARG 40 3HG ARG 40 2.284 -6.903 0.342 304 HD2 ARG 40 2HD ARG 40 2.306 -9.140 0.413 305 HD3 ARG 40 3HD ARG 40 0.593 -8.884 0.722 306 HE ARG 40 HE ARG 40 0.995 -9.144 -2.093 307 HH11 ARG 40 1HH1 ARG 40 1.579 -11.077 0.775 308 HH12 ARG 40 2HH1 ARG 40 1.372 -12.614 0.033 309 HH21 ARG 40 1HH2 ARG 40 0.582 -11.171 -3.160 310 HH22 ARG 40 2HH2 ARG 40 0.924 -12.654 -2.343 311 H PHE 41 H PHE 41 2.795 -4.129 0.617 312 HA PHE 41 HA PHE 41 3.074 -2.903 -2.091 313 HB2 PHE 41 2HB PHE 41 2.888 -1.176 -0.429 314 HB3 PHE 41 3HB PHE 41 4.062 -1.962 0.618 315 HD1 PHE 41 2HD PHE 41 4.041 -1.086 -3.050 316 HD2 PHE 41 1HD PHE 41 6.046 -0.728 0.730 317 HE1 PHE 41 2HE PHE 41 5.778 0.303 -4.133 318 HE2 PHE 41 1HE PHE 41 7.819 0.635 -0.341 319 HZ PHE 41 HZ PHE 41 7.664 1.156 -2.800 320 H ASP 42 H ASP 42 4.478 -3.922 -3.302 321 HA ASP 42 HA ASP 42 6.531 -5.737 -2.194 322 HB2 ASP 42 2HB ASP 42 5.287 -5.313 -4.937 323 HB3 ASP 42 3HB ASP 42 6.689 -6.352 -4.657 324 H ILE 43 H ILE 43 8.198 -4.378 -1.544 325 HA ILE 43 HA ILE 43 9.113 -2.032 -2.723 326 HB ILE 43 HB ILE 43 10.647 -4.201 -1.249 327 HG12 ILE 43 2HG1 ILE 43 10.069 -1.510 -0.024 328 HG13 ILE 43 3HG1 ILE 43 8.689 -2.601 -0.199 329 HG21 ILE 43 1HG2 ILE 43 11.577 -1.398 -1.960 330 HG22 ILE 43 2HG2 ILE 43 12.366 -2.449 -0.753 331 HG23 ILE 43 3HG2 ILE 43 12.322 -2.929 -2.447 332 HD11 ILE 43 3HD1 ILE 43 9.797 -2.910 1.998 333 HD12 ILE 43 1HD1 ILE 43 9.818 -4.374 1.036 334 HD13 ILE 43 2HD1 ILE 43 11.292 -3.400 1.176 335 H ARG 44 H ARG 44 10.366 -5.329 -3.413 336 HA ARG 44 HA ARG 44 12.277 -4.462 -5.389 337 HB2 ARG 44 2HB ARG 44 10.944 -7.148 -4.911 338 HB3 ARG 44 3HB ARG 44 12.238 -6.901 -6.090 339 HG2 ARG 44 2HG ARG 44 13.884 -6.517 -4.497 340 HG3 ARG 44 3HG ARG 44 12.738 -6.015 -3.254 341 HD2 ARG 44 2HD ARG 44 13.615 -8.248 -2.715 342 HD3 ARG 44 3HD ARG 44 11.870 -8.213 -3.000 343 HE ARG 44 HE ARG 44 12.147 -9.850 -4.483 344 HH11 ARG 44 1HH1 ARG 44 15.206 -8.066 -4.482 345 HH12 ARG 44 2HH1 ARG 44 16.016 -9.243 -5.454 346 HH21 ARG 44 1HH2 ARG 44 13.118 -11.195 -6.010 347 HH22 ARG 44 2HH2 ARG 44 14.762 -10.964 -6.491 348 H ALA 45 H ALA 45 8.828 -4.848 -5.682 349 HA ALA 45 HA ALA 45 9.009 -4.987 -8.634 350 HB1 ALA 45 1HB ALA 45 6.584 -5.113 -6.815 351 HB2 ALA 45 2HB ALA 45 6.660 -5.498 -8.539 352 HB3 ALA 45 3HB ALA 45 7.495 -6.543 -7.373 353 H SER 46 H SER 46 9.074 -2.536 -6.289 354 HA SER 46 HA SER 46 7.268 -0.747 -7.816 355 HB2 SER 46 2HB SER 46 7.399 0.644 -5.866 356 HB3 SER 46 3HB SER 46 7.168 -1.027 -5.316 357 HG SER 46 HG SER 46 9.450 -1.121 -4.950 358 H SER 47 H SER 47 7.943 1.514 -8.119 359 HA SER 47 HA SER 47 10.537 1.618 -9.446 360 HB2 SER 47 2HB SER 47 8.237 2.615 -10.215 361 HB3 SER 47 3HB SER 47 8.704 3.999 -9.201 362 HG SER 47 HG SER 47 9.643 4.484 -11.102 363 H LEU 48 H LEU 48 10.229 1.652 -6.285 364 HA LEU 48 HA LEU 48 11.114 4.159 -5.350 365 HB2 LEU 48 2HB LEU 48 11.652 1.301 -4.403 366 HB3 LEU 48 3HB LEU 48 12.257 2.679 -3.519 367 HG LEU 48 HG LEU 48 9.319 2.107 -4.028 368 HD11 LEU 48 1HD1 LEU 48 11.193 1.736 -1.641 369 HD12 LEU 48 2HD1 LEU 48 10.209 0.505 -2.474 370 HD13 LEU 48 3HD1 LEU 48 9.430 1.742 -1.483 371 HD21 LEU 48 3HD2 LEU 48 10.634 4.244 -2.310 372 HD22 LEU 48 1HD2 LEU 48 8.876 3.878 -2.478 373 HD23 LEU 48 2HD2 LEU 48 9.769 4.513 -3.832 374 HA PRO 49 HA PRO 49 15.298 4.393 -6.617 375 HB2 PRO 49 2HB PRO 49 16.520 5.793 -4.581 376 HB3 PRO 49 3HB PRO 49 15.355 6.549 -5.702 377 HG2 PRO 49 2HG PRO 49 14.796 5.441 -2.974 378 HG3 PRO 49 3HG PRO 49 14.344 7.044 -3.626 379 HD2 PRO 49 2HD PRO 49 12.579 4.973 -3.628 380 HD3 PRO 49 3HD PRO 49 12.666 6.065 -5.040 381 H GLU 50 H GLU 50 17.233 3.332 -6.274 382 HA GLU 50 HA GLU 50 17.220 0.890 -5.004 383 HB2 GLU 50 2HB GLU 50 19.632 0.874 -5.485 384 HB3 GLU 50 3HB GLU 50 18.716 1.593 -6.797 385 HG2 GLU 50 2HG GLU 50 19.343 3.887 -5.624 386 HG3 GLU 50 3HG GLU 50 20.593 2.927 -4.842 387 H TYR 51 H TYR 51 18.340 3.972 -3.604 388 HA TYR 51 HA TYR 51 19.560 2.927 -1.263 389 HB2 TYR 51 2HB TYR 51 19.743 5.239 -2.098 390 HB3 TYR 51 3HB TYR 51 18.061 5.545 -1.702 391 HD1 TYR 51 2HD TYR 51 17.402 5.208 0.892 392 HD2 TYR 51 1HD TYR 51 21.402 5.865 -0.613 393 HE1 TYR 51 2HE TYR 51 18.079 6.056 3.090 394 HE2 TYR 51 1HE TYR 51 22.062 6.800 1.580 395 HH TYR 51 HH TYR 51 19.965 6.643 4.425 396 H TYR 52 H TYR 52 16.165 3.987 -1.898 397 HA TYR 52 HA TYR 52 15.285 3.308 0.765 398 HB2 TYR 52 2HB TYR 52 13.736 3.797 -1.804 399 HB3 TYR 52 3HB TYR 52 12.952 3.239 -0.352 400 HD1 TYR 52 2HD TYR 52 15.706 5.879 -0.860 401 HD2 TYR 52 1HD TYR 52 11.688 5.023 0.525 402 HE1 TYR 52 2HE TYR 52 15.523 8.135 -0.021 403 HE2 TYR 52 1HE TYR 52 11.530 7.329 1.381 404 HH TYR 52 HH TYR 52 14.311 9.471 1.522 405 H LYS 53 H LYS 53 15.429 1.470 -2.335 406 HA LYS 53 HA LYS 53 13.834 -0.689 -1.440 407 HB2 LYS 53 2HB LYS 53 16.212 -0.815 -3.360 408 HB3 LYS 53 3HB LYS 53 15.047 -2.109 -3.058 409 HG2 LYS 53 2HG LYS 53 13.236 -0.328 -3.643 410 HG3 LYS 53 3HG LYS 53 14.554 0.575 -4.369 411 HD2 LYS 53 2HD LYS 53 15.029 -1.236 -5.908 412 HD3 LYS 53 3HD LYS 53 13.816 -2.279 -5.132 413 HE2 LYS 53 2HE LYS 53 12.031 -1.179 -6.053 414 HE3 LYS 53 3HE LYS 53 12.810 0.399 -5.911 415 HZ1 LYS 53 3HZ LYS 53 13.393 -1.570 -8.014 416 HZ2 LYS 53 1HZ LYS 53 14.068 -0.055 -7.874 417 HZ3 LYS 53 2HZ LYS 53 12.461 -0.266 -8.179 418 H GLU 54 H GLU 54 17.438 -0.439 -1.239 419 HA GLU 54 HA GLU 54 17.616 -2.789 0.344 420 HB2 GLU 54 2HB GLU 54 19.647 -0.567 0.256 421 HB3 GLU 54 3HB GLU 54 19.893 -2.256 0.719 422 HG2 GLU 54 2HG GLU 54 18.859 -2.889 -1.535 423 HG3 GLU 54 3HG GLU 54 19.110 -1.233 -2.031 424 H ARG 55 H ARG 55 16.854 0.457 1.288 425 HA ARG 55 HA ARG 55 17.410 0.057 4.140 426 HB2 ARG 55 2HB ARG 55 16.087 2.189 2.498 427 HB3 ARG 55 3HB ARG 55 15.469 2.007 4.128 428 HG2 ARG 55 2HG ARG 55 17.273 3.721 3.862 429 HG3 ARG 55 3HG ARG 55 17.573 2.537 5.131 430 HD2 ARG 55 2HD ARG 55 18.587 1.787 2.457 431 HD3 ARG 55 3HD ARG 55 19.357 3.239 3.144 432 HE ARG 55 HE ARG 55 19.399 1.360 5.184 433 HH11 ARG 55 1HH1 ARG 55 20.734 1.393 1.852 434 HH12 ARG 55 2HH1 ARG 55 21.826 0.102 2.182 435 HH21 ARG 55 1HH2 ARG 55 20.770 -0.356 5.535 436 HH22 ARG 55 2HH2 ARG 55 21.878 -0.894 4.299 437 H LEU 56 H LEU 56 14.426 -0.033 2.159 438 HA LEU 56 HA LEU 56 12.802 -0.899 4.395 439 HB2 LEU 56 2HB LEU 56 12.303 -1.109 1.405 440 HB3 LEU 56 3HB LEU 56 11.102 -1.313 2.699 441 HG LEU 56 HG LEU 56 12.548 1.277 2.016 442 HD11 LEU 56 1HD1 LEU 56 10.375 2.073 1.282 443 HD12 LEU 56 2HD1 LEU 56 9.635 0.503 1.675 444 HD13 LEU 56 3HD1 LEU 56 10.849 0.620 0.385 445 HD21 LEU 56 3HD2 LEU 56 12.191 1.261 4.365 446 HD22 LEU 56 1HD2 LEU 56 10.497 0.726 4.167 447 HD23 LEU 56 2HD2 LEU 56 11.029 2.335 3.590 448 H LEU 57 H LEU 57 14.913 -2.553 2.071 449 HA LEU 57 HA LEU 57 13.871 -5.208 2.643 450 HB2 LEU 57 2HB LEU 57 16.352 -4.181 1.313 451 HB3 LEU 57 3HB LEU 57 16.139 -5.882 1.692 452 HG LEU 57 HG LEU 57 13.928 -4.478 0.179 453 HD11 LEU 57 1HD1 LEU 57 16.459 -5.679 -0.989 454 HD12 LEU 57 2HD1 LEU 57 16.050 -3.966 -1.008 455 HD13 LEU 57 3HD1 LEU 57 15.054 -5.108 -1.932 456 HD21 LEU 57 3HD2 LEU 57 13.557 -6.719 -0.722 457 HD22 LEU 57 1HD2 LEU 57 13.605 -6.809 1.051 458 HD23 LEU 57 2HD2 LEU 57 14.998 -7.337 0.097 459 H ALA 58 H ALA 58 16.163 -2.961 4.071 460 HA ALA 58 HA ALA 58 17.250 -4.956 5.978 461 HB1 ALA 58 1HB ALA 58 18.756 -3.428 4.840 462 HB2 ALA 58 2HB ALA 58 17.864 -2.016 5.438 463 HB3 ALA 58 3HB ALA 58 18.733 -3.073 6.570 464 H ALA 59 H ALA 59 14.349 -3.666 5.859 465 HA ALA 59 HA ALA 59 14.217 -2.248 8.427 466 HB1 ALA 59 1HB ALA 59 12.104 -3.075 6.422 467 HB2 ALA 59 2HB ALA 59 11.820 -2.197 7.902 468 HB3 ALA 59 3HB ALA 59 12.825 -1.445 6.617 469 H SER 60 H SER 60 14.565 -3.685 10.086 470 HA SER 60 HA SER 60 13.303 -6.293 10.079 471 HB2 SER 60 2HB SER 60 15.538 -5.508 11.009 472 HB3 SER 60 3HB SER 60 14.652 -4.741 12.320 473 HG SER 60 HG SER 60 15.520 -7.199 12.109 474 H HIS 61 H HIS 61 11.092 -5.657 9.807 475 HA HIS 61 HA HIS 61 9.726 -4.579 12.241 476 HB2 HIS 61 2HB HIS 61 9.816 -3.228 9.867 477 HB3 HIS 61 3HB HIS 61 8.532 -4.319 9.492 478 HD1 HIS 61 1HD HIS 61 6.711 -4.279 12.084 479 HD2 HIS 61 2HD HIS 61 8.745 -0.955 10.441 480 HE1 HIS 61 1HE HIS 61 5.429 -2.237 12.792 481 H HIS 62 H HIS 62 7.964 -5.825 12.932 482 HA HIS 62 HA HIS 62 7.641 -8.449 11.944 483 HB2 HIS 62 2HB HIS 62 5.979 -8.706 13.550 484 HB3 HIS 62 3HB HIS 62 7.082 -7.545 14.254 485 HD1 HIS 62 1HD HIS 62 6.099 -4.935 14.386 486 HD2 HIS 62 2HD HIS 62 3.483 -7.965 13.082 487 HE1 HIS 62 1HE HIS 62 3.785 -3.880 14.239 488 H LEU 63 H LEU 63 6.689 -5.744 10.347 489 HA LEU 63 HA LEU 63 4.158 -6.800 9.183 490 HB2 LEU 63 2HB LEU 63 5.394 -4.013 9.317 491 HB3 LEU 63 3HB LEU 63 4.010 -4.400 8.305 492 HG LEU 63 HG LEU 63 4.121 -4.512 11.327 493 HD11 LEU 63 1HD1 LEU 63 2.569 -2.606 11.217 494 HD12 LEU 63 2HD1 LEU 63 2.619 -2.656 9.438 495 HD13 LEU 63 3HD1 LEU 63 4.071 -2.235 10.359 496 HD21 LEU 63 3HD2 LEU 63 1.665 -4.873 11.239 497 HD22 LEU 63 1HD2 LEU 63 2.555 -6.241 10.573 498 HD23 LEU 63 2HD2 LEU 63 1.767 -5.086 9.469 499 H ILE 64 H ILE 64 7.579 -6.539 8.510 500 HA ILE 64 HA ILE 64 6.966 -6.621 5.602 501 HB ILE 64 HB ILE 64 9.550 -5.731 6.920 502 HG12 ILE 64 2HG1 ILE 64 7.344 -3.968 5.802 503 HG13 ILE 64 3HG1 ILE 64 7.635 -4.152 7.509 504 HG21 ILE 64 1HG2 ILE 64 9.998 -4.822 4.633 505 HG22 ILE 64 2HG2 ILE 64 9.715 -6.539 4.583 506 HG23 ILE 64 3HG2 ILE 64 8.428 -5.445 4.077 507 HD11 ILE 64 3HD1 ILE 64 9.889 -3.276 7.278 508 HD12 ILE 64 1HD1 ILE 64 9.584 -2.929 5.551 509 HD13 ILE 64 2HD1 ILE 64 8.624 -2.125 6.795 510 H SER 65 H SER 65 8.006 -8.188 4.387 511 HA SER 65 HA SER 65 9.019 -10.499 5.999 512 HB2 SER 65 2HB SER 65 8.650 -11.815 3.997 513 HB3 SER 65 3HB SER 65 7.184 -10.997 4.517 514 HG SER 65 HG SER 65 7.744 -11.106 2.232 515 H SER 66 H SER 66 11.012 -11.547 5.372 516 HA SER 66 HA SER 66 13.093 -9.738 4.674 517 HB2 SER 66 2HB SER 66 13.109 -12.023 5.948 518 HB3 SER 66 3HB SER 66 13.352 -12.739 4.349 519 HG SER 66 HG SER 66 15.350 -12.347 4.776 520 H ASP 67 H ASP 67 10.802 -11.170 2.645 521 HA ASP 67 HA ASP 67 12.452 -11.400 0.225 522 HB2 ASP 67 2HB ASP 67 9.507 -11.754 0.837 523 HB3 ASP 67 3HB ASP 67 10.096 -11.722 -0.817 524 H GLY 68 H GLY 68 10.985 -8.824 1.984 525 HA2 GLY 68 2HA GLY 68 11.185 -6.589 1.371 526 HA3 GLY 68 3HA GLY 68 11.398 -7.037 -0.319 527 H VAL 69 H VAL 69 8.713 -7.910 1.966 528 HA VAL 69 HA VAL 69 6.927 -6.281 0.225 529 HB VAL 69 HB VAL 69 6.245 -9.048 1.262 530 HG11 VAL 69 1HG1 VAL 69 4.873 -7.179 -0.712 531 HG12 VAL 69 2HG1 VAL 69 4.354 -8.820 -0.292 532 HG13 VAL 69 3HG1 VAL 69 4.338 -7.554 0.944 533 HG21 VAL 69 3HG2 VAL 69 7.218 -8.204 -1.490 534 HG22 VAL 69 1HG2 VAL 69 7.939 -9.425 -0.416 535 HG23 VAL 69 2HG2 VAL 69 6.370 -9.725 -1.171 536 H ILE 70 H ILE 70 6.064 -4.746 1.435 537 HA ILE 70 HA ILE 70 5.893 -4.978 4.386 538 HB ILE 70 HB ILE 70 5.148 -2.630 2.571 539 HG12 ILE 70 2HG1 ILE 70 7.853 -3.301 3.728 540 HG13 ILE 70 3HG1 ILE 70 7.407 -2.918 2.073 541 HG21 ILE 70 1HG2 ILE 70 5.843 -2.519 5.532 542 HG22 ILE 70 2HG2 ILE 70 5.214 -1.226 4.520 543 HG23 ILE 70 3HG2 ILE 70 4.194 -2.597 4.911 544 HD11 ILE 70 3HD1 ILE 70 8.639 -1.074 3.023 545 HD12 ILE 70 1HD1 ILE 70 6.960 -0.545 2.799 546 HD13 ILE 70 2HD1 ILE 70 7.566 -0.971 4.419 547 H VAL 71 H VAL 71 3.899 -5.458 5.364 548 HA VAL 71 HA VAL 71 1.474 -5.063 3.699 549 HB VAL 71 HB VAL 71 0.421 -7.006 4.504 550 HG11 VAL 71 1HG1 VAL 71 1.692 -8.710 3.265 551 HG12 VAL 71 2HG1 VAL 71 1.665 -7.143 2.434 552 HG13 VAL 71 3HG1 VAL 71 3.130 -7.676 3.288 553 HG21 VAL 71 3HG2 VAL 71 1.702 -8.799 5.668 554 HG22 VAL 71 1HG2 VAL 71 3.002 -7.616 5.915 555 HG23 VAL 71 2HG2 VAL 71 1.394 -7.351 6.654 556 H ILE 72 H ILE 72 -0.211 -4.125 4.669 557 HA ILE 72 HA ILE 72 -0.033 -3.463 7.579 558 HB ILE 72 HB ILE 72 -0.529 -1.634 5.227 559 HG12 ILE 72 2HG1 ILE 72 1.489 -1.416 7.522 560 HG13 ILE 72 3HG1 ILE 72 1.863 -2.127 5.961 561 HG21 ILE 72 1HG2 ILE 72 -2.191 -1.045 6.983 562 HG22 ILE 72 2HG2 ILE 72 -0.859 -0.877 8.160 563 HG23 ILE 72 3HG2 ILE 72 -0.987 0.199 6.752 564 HD11 ILE 72 3HD1 ILE 72 2.641 -0.004 5.674 565 HD12 ILE 72 1HD1 ILE 72 1.055 0.093 4.922 566 HD13 ILE 72 2HD1 ILE 72 1.289 0.743 6.561 567 H LYS 73 H LYS 73 -2.015 -3.166 8.612 568 HA LYS 73 HA LYS 73 -4.428 -4.041 7.141 569 HB2 LYS 73 2HB LYS 73 -3.695 -5.056 9.915 570 HB3 LYS 73 3HB LYS 73 -5.077 -5.484 8.903 571 HG2 LYS 73 2HG LYS 73 -3.469 -6.419 7.226 572 HG3 LYS 73 3HG LYS 73 -2.156 -6.179 8.390 573 HD2 LYS 73 2HD LYS 73 -3.262 -7.586 10.033 574 HD3 LYS 73 3HD LYS 73 -4.666 -7.811 8.952 575 HE2 LYS 73 2HE LYS 73 -3.194 -8.978 7.328 576 HE3 LYS 73 3HE LYS 73 -1.828 -8.764 8.427 577 HZ1 LYS 73 3HZ LYS 73 -4.318 -10.279 8.994 578 HZ2 LYS 73 1HZ LYS 73 -3.062 -10.088 10.060 579 HZ3 LYS 73 2HZ LYS 73 -2.852 -10.941 8.696 580 H ALA 74 H ALA 74 -5.389 -2.040 7.148 581 HA ALA 74 HA ALA 74 -5.482 -0.459 9.692 582 HB1 ALA 74 1HB ALA 74 -4.826 0.777 7.681 583 HB2 ALA 74 2HB ALA 74 -6.312 0.228 6.856 584 HB3 ALA 74 3HB ALA 74 -6.406 1.309 8.269 585 H GLN 75 H GLN 75 -7.324 -0.529 10.906 586 HA GLN 75 HA GLN 75 -9.883 -1.349 9.692 587 HB2 GLN 75 2HB GLN 75 -9.160 -2.696 12.290 588 HB3 GLN 75 3HB GLN 75 -10.211 -3.223 10.971 589 HG2 GLN 75 2HG GLN 75 -8.058 -3.554 9.610 590 HG3 GLN 75 3HG GLN 75 -7.175 -3.304 11.113 591 HE21 GLN 75 1HE2 GLN 75 -6.358 -5.283 10.235 592 HE22 GLN 75 2HE2 GLN 75 -7.110 -6.828 10.502 593 H GLU 76 H GLU 76 -11.301 0.193 10.351 594 HA GLU 76 HA GLU 76 -11.645 1.044 13.029 595 HB2 GLU 76 2HB GLU 76 -10.487 3.087 11.068 596 HB3 GLU 76 3HB GLU 76 -11.492 3.555 12.416 597 HG2 GLU 76 2HG GLU 76 -8.746 2.374 12.565 598 HG3 GLU 76 3HG GLU 76 -9.254 3.984 13.012 599 H TYR 77 H TYR 77 -12.087 1.987 9.616 600 HA TYR 77 HA TYR 77 -14.646 3.160 9.918 601 HB2 TYR 77 2HB TYR 77 -13.079 2.172 7.499 602 HB3 TYR 77 3HB TYR 77 -14.528 3.165 7.436 603 HD1 TYR 77 1HD TYR 77 -10.900 3.167 8.308 604 HD2 TYR 77 2HD TYR 77 -14.490 5.537 7.947 605 HE1 TYR 77 1HE TYR 77 -9.563 5.258 8.463 606 HE2 TYR 77 2HE TYR 77 -13.161 7.595 7.988 607 HH TYR 77 HH TYR 77 -10.960 8.431 7.737 608 H ARG 78 H ARG 78 -16.571 2.470 9.138 609 HA ARG 78 HA ARG 78 -17.160 -0.290 9.529 610 HB2 ARG 78 2HB ARG 78 -18.486 2.212 9.655 611 HB3 ARG 78 3HB ARG 78 -19.307 1.402 8.341 612 HG2 ARG 78 2HG ARG 78 -18.920 0.183 11.114 613 HG3 ARG 78 3HG ARG 78 -20.277 1.210 10.659 614 HD2 ARG 78 2HD ARG 78 -20.770 -0.449 8.762 615 HD3 ARG 78 3HD ARG 78 -19.588 -1.521 9.521 616 HE ARG 78 HE ARG 78 -21.009 -1.936 11.259 617 HH11 ARG 78 1HH1 ARG 78 -22.464 0.657 9.283 618 HH12 ARG 78 2HH1 ARG 78 -23.857 0.812 10.293 619 HH21 ARG 78 1HH2 ARG 78 -22.854 -1.622 12.654 620 HH22 ARG 78 2HH2 ARG 78 -24.067 -0.483 12.179 621 H SER 79 H SER 79 -16.071 1.218 6.702 622 HA SER 79 HA SER 79 -17.303 -0.844 4.924 623 HB2 SER 79 2HB SER 79 -16.931 2.110 4.706 624 HB3 SER 79 3HB SER 79 -16.800 1.223 3.233 625 HG SER 79 HG SER 79 -18.940 2.117 4.145 626 H GLN 80 H GLN 80 -15.977 -1.847 3.648 627 HA GLN 80 HA GLN 80 -13.153 -1.975 4.000 628 HB2 GLN 80 2HB GLN 80 -15.010 -3.759 3.480 629 HB3 GLN 80 3HB GLN 80 -14.767 -3.282 1.799 630 HG2 GLN 80 2HG GLN 80 -12.615 -4.123 1.730 631 HG3 GLN 80 3HG GLN 80 -12.408 -4.007 3.492 632 HE21 GLN 80 1HE2 GLN 80 -12.300 -6.007 4.371 633 HE22 GLN 80 2HE2 GLN 80 -13.358 -7.362 3.964 634 H GLU 81 H GLU 81 -13.780 0.631 3.089 635 HA GLU 81 HA GLU 81 -12.318 0.736 0.535 636 HB2 GLU 81 2HB GLU 81 -14.827 0.753 0.069 637 HB3 GLU 81 3HB GLU 81 -14.870 2.362 0.802 638 HG2 GLU 81 2HG GLU 81 -13.232 3.181 -0.835 639 HG3 GLU 81 3HG GLU 81 -13.015 1.559 -1.495 640 H LEU 82 H LEU 82 -13.349 2.183 3.573 641 HA LEU 82 HA LEU 82 -11.747 4.630 3.078 642 HB2 LEU 82 2HB LEU 82 -13.246 3.656 5.522 643 HB3 LEU 82 3HB LEU 82 -12.482 5.221 5.345 644 HG LEU 82 HG LEU 82 -14.736 5.642 5.056 645 HD11 LEU 82 1HD1 LEU 82 -15.014 6.514 2.867 646 HD12 LEU 82 2HD1 LEU 82 -13.967 5.271 2.134 647 HD13 LEU 82 3HD1 LEU 82 -13.273 6.553 3.135 648 HD21 LEU 82 3HD2 LEU 82 -15.178 3.396 3.116 649 HD22 LEU 82 1HD2 LEU 82 -16.362 4.441 3.940 650 HD23 LEU 82 2HD2 LEU 82 -15.376 3.322 4.894 651 H ASN 83 H ASN 83 -11.415 1.433 4.369 652 HA ASN 83 HA ASN 83 -9.265 2.093 6.206 653 HB2 ASN 83 2HB ASN 83 -9.286 -0.716 5.523 654 HB3 ASN 83 3HB ASN 83 -9.625 0.070 7.068 655 HD21 ASN 83 1HD2 ASN 83 -11.732 -0.583 7.805 656 HD22 ASN 83 2HD2 ASN 83 -12.976 -1.003 6.654 657 H ARG 84 H ARG 84 -9.473 1.298 2.745 658 HA ARG 84 HA ARG 84 -6.723 0.472 2.438 659 HB2 ARG 84 2HB ARG 84 -7.028 1.251 0.021 660 HB3 ARG 84 3HB ARG 84 -7.984 -0.100 0.581 661 HG2 ARG 84 2HG ARG 84 -9.988 1.064 0.715 662 HG3 ARG 84 3HG ARG 84 -9.174 2.636 0.741 663 HD2 ARG 84 2HD ARG 84 -10.093 2.549 -1.327 664 HD3 ARG 84 3HD ARG 84 -8.363 2.165 -1.569 665 HE ARG 84 HE ARG 84 -10.021 -0.224 -1.354 666 HH11 ARG 84 1HH1 ARG 84 -8.896 2.236 -3.694 667 HH12 ARG 84 2HH1 ARG 84 -9.557 1.356 -5.050 668 HH21 ARG 84 1HH2 ARG 84 -10.634 -1.373 -3.126 669 HH22 ARG 84 2HH2 ARG 84 -10.386 -0.776 -4.749 670 H GLU 85 H GLU 85 -8.305 3.694 2.124 671 HA GLU 85 HA GLU 85 -5.841 5.037 1.790 672 HB2 GLU 85 2HB GLU 85 -7.206 7.091 2.102 673 HB3 GLU 85 3HB GLU 85 -7.883 5.964 0.905 674 HG2 GLU 85 2HG GLU 85 -9.454 5.099 2.603 675 HG3 GLU 85 3HG GLU 85 -8.711 6.203 3.781 676 H ALA 86 H ALA 86 -7.315 3.704 4.538 677 HA ALA 86 HA ALA 86 -6.012 5.491 6.469 678 HB1 ALA 86 1HB ALA 86 -8.258 4.385 6.896 679 HB2 ALA 86 2HB ALA 86 -7.382 2.855 7.051 680 HB3 ALA 86 3HB ALA 86 -7.036 4.186 8.172 681 H ALA 87 H ALA 87 -5.135 2.778 4.609 682 HA ALA 87 HA ALA 87 -3.045 1.861 6.490 683 HB1 ALA 87 1HB ALA 87 -4.050 0.774 3.832 684 HB2 ALA 87 2HB ALA 87 -2.728 0.075 4.797 685 HB3 ALA 87 3HB ALA 87 -4.380 0.113 5.431 686 H LEU 88 H LEU 88 -3.520 3.674 3.419 687 HA LEU 88 HA LEU 88 -0.830 3.693 2.604 688 HB2 LEU 88 2HB LEU 88 -1.374 5.248 1.040 689 HB3 LEU 88 3HB LEU 88 -2.929 4.538 1.384 690 HG LEU 88 HG LEU 88 -3.186 6.627 3.021 691 HD11 LEU 88 1HD1 LEU 88 -1.134 7.644 0.998 692 HD12 LEU 88 2HD1 LEU 88 -0.908 7.580 2.752 693 HD13 LEU 88 3HD1 LEU 88 -2.121 8.657 2.074 694 HD21 LEU 88 3HD2 LEU 88 -4.467 6.113 0.846 695 HD22 LEU 88 1HD2 LEU 88 -3.350 7.192 0.041 696 HD23 LEU 88 2HD2 LEU 88 -4.405 7.777 1.369 697 H ALA 89 H ALA 89 -2.508 5.801 4.928 698 HA ALA 89 HA ALA 89 -0.447 7.644 5.457 699 HB1 ALA 89 1HB ALA 89 -2.580 6.490 7.326 700 HB2 ALA 89 2HB ALA 89 -1.612 7.949 7.641 701 HB3 ALA 89 3HB ALA 89 -2.748 7.916 6.275 702 H ARG 90 H ARG 90 -1.054 4.440 6.867 703 HA ARG 90 HA ARG 90 1.099 4.477 8.785 704 HB2 ARG 90 2HB ARG 90 -0.532 2.237 7.521 705 HB3 ARG 90 3HB ARG 90 0.687 1.951 8.756 706 HG2 ARG 90 2HG ARG 90 -0.514 3.271 10.370 707 HG3 ARG 90 3HG ARG 90 -1.699 3.805 9.156 708 HD2 ARG 90 2HD ARG 90 -2.612 1.593 8.928 709 HD3 ARG 90 3HD ARG 90 -1.259 0.875 9.822 710 HE ARG 90 HE ARG 90 -2.133 1.502 11.825 711 HH11 ARG 90 1HH1 ARG 90 -4.178 3.130 9.312 712 HH12 ARG 90 2HH1 ARG 90 -5.341 3.605 10.504 713 HH21 ARG 90 1HH2 ARG 90 -3.602 2.120 13.220 714 HH22 ARG 90 2HH2 ARG 90 -5.117 2.860 12.811 715 H LEU 91 H LEU 91 0.821 3.393 5.365 716 HA LEU 91 HA LEU 91 3.330 2.055 5.279 717 HB2 LEU 91 2HB LEU 91 1.576 1.763 3.531 718 HB3 LEU 91 3HB LEU 91 1.757 3.446 3.059 719 HG LEU 91 HG LEU 91 4.059 3.060 2.345 720 HD11 LEU 91 1HD1 LEU 91 4.851 1.301 3.793 721 HD12 LEU 91 2HD1 LEU 91 4.859 0.642 2.154 722 HD13 LEU 91 3HD1 LEU 91 3.552 0.196 3.260 723 HD21 LEU 91 3HD2 LEU 91 3.621 1.791 0.352 724 HD22 LEU 91 1HD2 LEU 91 2.163 2.717 0.768 725 HD23 LEU 91 2HD2 LEU 91 2.255 0.975 1.111 726 H VAL 92 H VAL 92 2.375 5.373 4.368 727 HA VAL 92 HA VAL 92 4.919 6.281 3.631 728 HB VAL 92 HB VAL 92 2.597 7.752 4.997 729 HG11 VAL 92 1HG1 VAL 92 4.953 9.015 3.543 730 HG12 VAL 92 2HG1 VAL 92 3.461 9.869 4.012 731 HG13 VAL 92 3HG1 VAL 92 4.519 9.208 5.256 732 HG21 VAL 92 3HG2 VAL 92 3.335 7.853 2.073 733 HG22 VAL 92 1HG2 VAL 92 2.142 6.710 2.726 734 HG23 VAL 92 2HG2 VAL 92 1.857 8.448 2.850 735 H ALA 93 H ALA 93 3.374 6.014 6.819 736 HA ALA 93 HA ALA 93 5.158 7.576 8.377 737 HB1 ALA 93 1HB ALA 93 2.922 7.040 9.170 738 HB2 ALA 93 2HB ALA 93 3.312 5.309 9.230 739 HB3 ALA 93 3HB ALA 93 4.132 6.429 10.310 740 H MET 94 H MET 94 4.875 4.005 8.391 741 HA MET 94 HA MET 94 7.311 3.548 9.798 742 HB2 MET 94 2HB MET 94 7.122 1.254 9.045 743 HB3 MET 94 3HB MET 94 5.547 1.889 9.530 744 HG2 MET 94 2HG MET 94 5.078 2.325 7.066 745 HG3 MET 94 3HG MET 94 6.508 1.419 6.692 746 HE1 MET 94 3HE MET 94 5.507 -2.181 7.986 747 HE2 MET 94 1HE MET 94 6.832 -1.099 7.504 748 HE3 MET 94 2HE MET 94 6.140 -0.990 9.141 749 H ILE 95 H ILE 95 6.786 3.996 6.248 750 HA ILE 95 HA ILE 95 9.409 3.176 5.580 751 HB ILE 95 HB ILE 95 7.353 4.942 4.276 752 HG12 ILE 95 2HG1 ILE 95 8.710 2.286 3.534 753 HG13 ILE 95 3HG1 ILE 95 7.213 2.400 4.450 754 HG21 ILE 95 1HG2 ILE 95 9.587 5.915 3.638 755 HG22 ILE 95 2HG2 ILE 95 10.051 4.334 2.990 756 HG23 ILE 95 3HG2 ILE 95 8.687 5.241 2.302 757 HD11 ILE 95 3HD1 ILE 95 6.172 3.615 2.581 758 HD12 ILE 95 1HD1 ILE 95 7.645 3.327 1.609 759 HD13 ILE 95 2HD1 ILE 95 6.691 1.955 2.151 760 H LYS 96 H LYS 96 8.155 6.380 6.694 761 HA LYS 96 HA LYS 96 10.694 7.737 6.422 762 HB2 LYS 96 2HB LYS 96 8.135 8.374 7.933 763 HB3 LYS 96 3HB LYS 96 9.509 9.474 7.838 764 HG2 LYS 96 2HG LYS 96 9.327 9.718 5.468 765 HG3 LYS 96 3HG LYS 96 8.095 8.451 5.344 766 HD2 LYS 96 2HD LYS 96 6.547 9.721 6.713 767 HD3 LYS 96 3HD LYS 96 7.780 10.955 7.021 768 HE2 LYS 96 2HE LYS 96 7.818 11.470 4.564 769 HE3 LYS 96 3HE LYS 96 6.450 10.351 4.363 770 HZ1 LYS 96 3HZ LYS 96 5.334 11.753 6.121 771 HZ2 LYS 96 1HZ LYS 96 5.553 12.511 4.661 772 HZ3 LYS 96 2HZ LYS 96 6.546 12.836 5.941 773 H GLU 97 H GLU 97 10.200 5.219 8.357 774 HA GLU 97 HA GLU 97 11.812 6.311 10.620 775 HB2 GLU 97 2HB GLU 97 9.557 4.253 10.525 776 HB3 GLU 97 3HB GLU 97 10.652 4.389 11.879 777 HG2 GLU 97 2HG GLU 97 9.981 6.708 12.275 778 HG3 GLU 97 3HG GLU 97 9.047 6.762 10.788 779 H LEU 98 H LEU 98 11.165 3.755 8.358 780 HA LEU 98 HA LEU 98 13.466 2.081 9.044 781 HB2 LEU 98 2HB LEU 98 11.581 2.086 6.653 782 HB3 LEU 98 3HB LEU 98 12.717 0.795 7.031 783 HG LEU 98 HG LEU 98 10.509 1.668 8.913 784 HD11 LEU 98 1HD1 LEU 98 9.484 0.972 6.822 785 HD12 LEU 98 2HD1 LEU 98 9.193 -0.241 8.071 786 HD13 LEU 98 3HD1 LEU 98 10.433 -0.522 6.820 787 HD21 LEU 98 3HD2 LEU 98 10.912 -0.924 9.571 788 HD22 LEU 98 1HD2 LEU 98 11.721 0.458 10.322 789 HD23 LEU 98 2HD2 LEU 98 12.546 -0.459 9.060 790 H THR 99 H THR 99 12.914 4.761 6.963 791 HA THR 99 HA THR 99 15.426 4.210 5.358 792 HB THR 99 HB THR 99 14.617 5.935 3.779 793 HG1 THR 99 1HG THR 99 12.164 5.813 5.200 794 HG21 THR 99 3HG2 THR 99 14.099 3.641 3.235 795 HG22 THR 99 1HG2 THR 99 12.686 4.634 2.851 796 HG23 THR 99 2HG2 THR 99 12.693 3.647 4.325 797 H THR 100 H THR 100 13.844 6.700 7.388 798 HA THR 100 HA THR 100 16.380 8.071 7.856 799 HB THR 100 HB THR 100 14.977 9.116 6.026 800 HG1 THR 100 1HG THR 100 16.262 10.504 7.303 801 HG21 THR 100 3HG2 THR 100 12.733 8.552 6.847 802 HG22 THR 100 1HG2 THR 100 12.909 10.284 6.560 803 HG23 THR 100 2HG2 THR 100 12.946 9.661 8.217 804 H GLU 101 H GLU 101 15.735 9.692 9.827 805 HA GLU 101 HA GLU 101 13.967 8.188 11.693 806 HB2 GLU 101 2HB GLU 101 16.386 7.826 12.138 807 HB3 GLU 101 3HB GLU 101 16.582 9.556 12.395 808 HG2 GLU 101 2HG GLU 101 14.615 7.773 13.937 809 HG3 GLU 101 3HG GLU 101 16.235 8.119 14.487 810 H LYS 102 H LYS 102 12.245 9.351 11.377 811 HA LYS 102 HA LYS 102 12.207 12.219 10.918 812 HB2 LYS 102 2HB LYS 102 10.641 10.726 9.804 813 HB3 LYS 102 3HB LYS 102 10.038 10.126 11.357 814 HG2 LYS 102 2HG LYS 102 9.122 12.332 11.884 815 HG3 LYS 102 3HG LYS 102 9.843 13.029 10.446 816 HD2 LYS 102 2HD LYS 102 7.478 12.694 10.133 817 HD3 LYS 102 3HD LYS 102 8.372 11.616 9.044 818 HE2 LYS 102 2HE LYS 102 7.933 9.696 10.433 819 HE3 LYS 102 3HE LYS 102 7.405 10.703 11.782 820 HZ1 LYS 102 3HZ LYS 102 5.907 10.482 9.234 821 HZ2 LYS 102 1HZ LYS 102 5.456 11.318 10.554 822 HZ3 LYS 102 2HZ LYS 102 5.593 9.653 10.632 823 H LYS 103 H LYS 103 13.310 12.959 12.824 824 HA LYS 103 HA LYS 103 12.310 12.461 15.478 825 HB2 LYS 103 2HB LYS 103 14.668 12.929 14.750 826 HB3 LYS 103 3HB LYS 103 14.211 14.576 14.417 827 HG2 LYS 103 2HG LYS 103 15.489 14.260 16.511 828 HG3 LYS 103 3HG LYS 103 13.968 15.081 16.723 829 HD2 LYS 103 2HD LYS 103 14.380 13.603 18.567 830 HD3 LYS 103 3HD LYS 103 12.930 13.136 17.697 831 HE2 LYS 103 2HE LYS 103 14.356 11.240 18.516 832 HE3 LYS 103 3HE LYS 103 13.949 11.186 16.798 833 HZ1 LYS 103 3HZ LYS 103 16.032 11.644 16.183 834 HZ2 LYS 103 1HZ LYS 103 16.281 10.664 17.408 835 HZ3 LYS 103 2HZ LYS 103 16.557 12.294 17.633 836 H ALA 104 H ALA 104 10.490 13.984 13.267 837 HA ALA 104 HA ALA 104 9.422 15.952 15.215 838 HB1 ALA 104 1HB ALA 104 9.216 17.629 13.445 839 HB2 ALA 104 2HB ALA 104 10.918 17.133 13.559 840 HB3 ALA 104 3HB ALA 104 9.898 16.508 12.249 841 H ARG 105 H ARG 105 7.206 16.164 15.187 842 HA ARG 105 HA ARG 105 5.419 15.543 13.139 843 HB2 ARG 105 2HB ARG 105 4.286 13.587 13.864 844 HB3 ARG 105 3HB ARG 105 5.955 13.127 13.648 845 HG2 ARG 105 2HG ARG 105 6.249 13.315 16.185 846 HG3 ARG 105 3HG ARG 105 4.533 13.689 16.292 847 HD2 ARG 105 2HD ARG 105 4.319 11.468 16.640 848 HD3 ARG 105 3HD ARG 105 4.309 11.394 14.875 849 HE ARG 105 HE ARG 105 6.939 11.251 15.370 850 HH11 ARG 105 1HH1 ARG 105 4.295 9.200 16.654 851 HH12 ARG 105 2HH1 ARG 105 5.401 8.042 17.277 852 HH21 ARG 105 1HH2 ARG 105 8.289 9.611 16.109 853 HH22 ARG 105 2HH2 ARG 105 7.738 8.326 17.088 854 H ARG 106 H ARG 106 3.108 15.761 14.054 855 HA ARG 106 HA ARG 106 2.971 16.928 16.777 856 HB2 ARG 106 2HB ARG 106 2.285 18.333 14.147 857 HB3 ARG 106 3HB ARG 106 1.457 18.738 15.646 858 HG2 ARG 106 2HG ARG 106 3.749 19.111 16.711 859 HG3 ARG 106 3HG ARG 106 4.441 18.965 15.097 860 HD2 ARG 106 2HD ARG 106 4.151 21.321 15.705 861 HD3 ARG 106 3HD ARG 106 3.155 20.898 14.315 862 HE ARG 106 HE ARG 106 1.322 21.556 15.469 863 HH11 ARG 106 1HH1 ARG 106 3.791 20.836 17.960 864 HH12 ARG 106 2HH1 ARG 106 2.754 21.277 19.267 865 HH21 ARG 106 1HH2 ARG 106 0.046 22.229 17.155 866 HH22 ARG 106 2HH2 ARG 106 0.555 22.149 18.803 867 HA PRO 107 HA PRO 107 -0.785 14.553 16.647 868 HB2 PRO 107 2HB PRO 107 -2.519 15.893 18.283 869 HB3 PRO 107 3HB PRO 107 -1.079 15.026 18.898 870 HG2 PRO 107 2HG PRO 107 -1.381 17.986 18.370 871 HG3 PRO 107 3HG PRO 107 -0.631 17.174 19.780 872 HD2 PRO 107 2HD PRO 107 0.824 18.174 17.684 873 HD3 PRO 107 3HD PRO 107 1.338 16.732 18.604 874 H THR 108 H THR 108 -1.462 14.684 14.484 875 HA THR 108 HA THR 108 -3.333 16.853 13.729 876 HB THR 108 HB THR 108 -2.006 16.796 11.465 877 HG1 THR 108 1HG THR 108 -0.109 15.781 13.324 878 HG21 THR 108 3HG2 THR 108 -0.509 18.589 12.132 879 HG22 THR 108 1HG2 THR 108 -0.680 18.166 13.846 880 HG23 THR 108 2HG2 THR 108 -2.069 18.790 12.937 881 H ARG 109 H ARG 109 -5.054 16.046 12.474 882 HA ARG 109 HA ARG 109 -4.690 13.467 11.114 883 HB2 ARG 109 2HB ARG 109 -6.319 12.215 12.237 884 HB3 ARG 109 3HB ARG 109 -5.324 12.916 13.493 885 HG2 ARG 109 2HG ARG 109 -7.247 14.730 13.623 886 HG3 ARG 109 3HG ARG 109 -8.183 13.528 12.728 887 HD2 ARG 109 2HD ARG 109 -8.668 13.142 15.038 888 HD3 ARG 109 3HD ARG 109 -7.573 11.848 14.550 889 HE ARG 109 HE ARG 109 -5.918 12.724 15.888 890 HH11 ARG 109 1HH1 ARG 109 -8.609 15.087 15.814 891 HH12 ARG 109 2HH1 ARG 109 -7.941 16.090 17.056 892 HH21 ARG 109 1HH2 ARG 109 -5.078 13.917 17.457 893 HH22 ARG 109 2HH2 ARG 109 -5.737 15.414 18.035 894 H SER 110 H SER 110 -7.056 16.041 11.919 895 HA SER 110 HA SER 110 -8.715 16.941 10.752 896 HB2 SER 110 2HB SER 110 -6.458 17.297 9.275 897 HB3 SER 110 3HB SER 110 -7.492 16.507 8.076 898 HG SER 110 HG SER 110 -9.142 18.117 8.892 899 H GLY 111 H GLY 111 -8.799 13.918 11.103 900 HA2 GLY 111 2HA GLY 111 -10.235 12.915 8.795 901 HA3 GLY 111 3HA GLY 111 -9.986 12.099 10.353 902 HA PRO 112 HA PRO 112 -14.339 13.872 10.008 903 HB2 PRO 112 2HB PRO 112 -15.817 11.605 9.736 904 HB3 PRO 112 3HB PRO 112 -14.995 12.376 8.338 905 HG2 PRO 112 2HG PRO 112 -13.986 10.042 10.008 906 HG3 PRO 112 3HG PRO 112 -14.143 10.131 8.237 907 HD2 PRO 112 2HD PRO 112 -11.788 10.706 9.506 908 HD3 PRO 112 3HD PRO 112 -12.305 11.637 8.066 909 H SER 113 H SER 113 -15.366 14.178 12.001 910 HA SER 113 HA SER 113 -14.372 12.596 14.253 911 HB2 SER 113 2HB SER 113 -14.863 15.129 14.181 912 HB3 SER 113 3HB SER 113 -16.568 14.696 14.366 913 HG SER 113 HG SER 113 -15.829 14.942 16.390 914 H SER 114 H SER 114 -15.145 10.514 13.561 915 HA SER 114 HA SER 114 -17.764 9.893 12.738 916 HB2 SER 114 2HB SER 114 -15.781 8.388 12.581 917 HB3 SER 114 3HB SER 114 -15.873 8.117 14.337 918 HG SER 114 HG SER 114 -17.012 6.685 12.592 919 H GLY 115 H GLY 115 -16.395 10.309 16.004 920 HA2 GLY 115 2HA GLY 115 -17.545 11.007 17.883 921 HA3 GLY 115 3HA GLY 115 -19.080 10.782 17.052 922 H GLU 116 H GLU 116 -17.117 7.962 16.792 923 HA GLU 116 HA GLU 116 -17.360 5.854 17.657 924 HB2 GLU 116 2HB GLU 116 -17.494 7.441 20.248 925 HB3 GLU 116 3HB GLU 116 -17.170 5.722 20.132 926 HG2 GLU 116 2HG GLU 116 -15.049 6.003 19.180 927 HG3 GLU 116 3HG GLU 116 -15.366 7.674 18.702 928 H ASN 117 H ASN 117 -19.708 7.104 16.699 929 HA ASN 117 HA ASN 117 -22.040 6.798 18.277 930 HB2 ASN 117 2HB ASN 117 -21.414 7.149 15.350 931 HB3 ASN 117 3HB ASN 117 -23.023 6.595 15.766 932 HD21 ASN 117 1HD2 ASN 117 -24.191 7.800 17.477 933 HD22 ASN 117 2HD2 ASN 117 -24.147 9.548 17.393 934 H LEU 118 H LEU 118 -21.711 4.757 19.346 935 HA LEU 118 HA LEU 118 -21.849 2.283 17.822 936 HB2 LEU 118 2HB LEU 118 -20.802 2.966 20.265 937 HB3 LEU 118 3HB LEU 118 -22.371 2.377 20.773 938 HG LEU 118 HG LEU 118 -21.840 0.234 19.427 939 HD11 LEU 118 1HD1 LEU 118 -19.028 1.410 19.550 940 HD12 LEU 118 2HD1 LEU 118 -19.960 1.132 18.068 941 HD13 LEU 118 3HD1 LEU 118 -19.444 -0.242 19.071 942 HD21 LEU 118 3HD2 LEU 118 -21.752 0.400 21.893 943 HD22 LEU 118 1HD2 LEU 118 -20.066 0.957 21.793 944 HD23 LEU 118 2HD2 LEU 118 -20.497 -0.683 21.259 945 H TYR 119 H TYR 119 -23.552 0.598 18.993 946 HA TYR 119 HA TYR 119 -26.243 1.719 19.170 947 HB2 TYR 119 2HB TYR 119 -25.808 1.149 16.810 948 HB3 TYR 119 3HB TYR 119 -25.237 -0.453 17.284 949 HD1 TYR 119 1HD TYR 119 -28.204 1.824 17.347 950 HD2 TYR 119 2HD TYR 119 -26.753 -2.201 17.666 951 HE1 TYR 119 1HE TYR 119 -30.538 1.006 17.388 952 HE2 TYR 119 2HE TYR 119 -29.102 -3.065 17.666 953 HH TYR 119 HH TYR 119 -31.325 -2.272 18.200 954 H PHE 120 H PHE 120 -27.651 -0.020 20.137 955 HA PHE 120 HA PHE 120 -26.159 -1.984 21.785 956 HB2 PHE 120 2HB PHE 120 -28.501 -0.259 22.668 957 HB3 PHE 120 3HB PHE 120 -27.615 -1.429 23.644 958 HD1 PHE 120 1HD PHE 120 -25.114 -0.980 24.142 959 HD2 PHE 120 2HD PHE 120 -27.714 2.010 22.424 960 HE1 PHE 120 1HE PHE 120 -23.445 0.788 24.653 961 HE2 PHE 120 2HE PHE 120 -26.033 3.756 22.933 962 HZ PHE 120 HZ PHE 120 -23.886 3.143 24.024 963 H GLN 121 H GLN 121 -26.829 -3.949 21.217 964 HA GLN 121 HA GLN 121 -29.428 -4.335 19.849 965 HB2 GLN 121 2HB GLN 121 -27.540 -4.745 18.303 966 HB3 GLN 121 3HB GLN 121 -26.747 -5.758 19.516 967 HG2 GLN 121 2HG GLN 121 -27.656 -7.114 17.748 968 HG3 GLN 121 3HG GLN 121 -28.453 -7.496 19.269 969 HE21 GLN 121 1HE2 GLN 121 -30.596 -6.391 19.632 970 HE22 GLN 121 2HE2 GLN 121 -31.674 -6.214 18.225 Start of MODEL 8 1 H1 MET 1 H MET 1 -0.445 8.742 -5.063 2 HA MET 1 HA MET 1 1.614 9.284 -6.198 3 HB2 MET 1 2HB MET 1 1.034 12.060 -5.230 4 HB3 MET 1 3HB MET 1 2.666 11.580 -5.505 5 HG2 MET 1 2HG MET 1 0.716 11.072 -7.733 6 HG3 MET 1 3HG MET 1 1.353 12.681 -7.455 7 HE1 MET 1 3HE MET 1 3.998 9.076 -8.786 8 HE2 MET 1 1HE MET 1 3.337 9.093 -7.147 9 HE3 MET 1 2HE MET 1 2.241 8.997 -8.554 10 H ILE 2 H ILE 2 0.532 9.476 -2.793 11 HA ILE 2 HA ILE 2 1.782 9.326 -0.869 12 HB ILE 2 HB ILE 2 3.035 7.032 -2.423 13 HG12 ILE 2 2HG1 ILE 2 0.242 7.226 -1.217 14 HG13 ILE 2 3HG1 ILE 2 0.669 7.030 -2.917 15 HG21 ILE 2 1HG2 ILE 2 3.752 7.548 0.007 16 HG22 ILE 2 2HG2 ILE 2 2.086 7.090 0.447 17 HG23 ILE 2 3HG2 ILE 2 3.176 5.910 -0.308 18 HD11 ILE 2 3HD1 ILE 2 1.018 4.991 -0.670 19 HD12 ILE 2 1HD1 ILE 2 -0.033 4.872 -2.100 20 HD13 ILE 2 2HD1 ILE 2 1.715 4.767 -2.285 21 H VAL 3 H VAL 3 2.869 11.371 -1.911 22 HA VAL 3 HA VAL 3 5.632 11.121 -2.697 23 HB VAL 3 HB VAL 3 4.669 12.972 -3.585 24 HG11 VAL 3 1HG1 VAL 3 3.707 13.759 -0.830 25 HG12 VAL 3 2HG1 VAL 3 3.665 14.840 -2.236 26 HG13 VAL 3 3HG1 VAL 3 2.747 13.335 -2.279 27 HG21 VAL 3 3HG2 VAL 3 6.031 14.834 -2.914 28 HG22 VAL 3 1HG2 VAL 3 6.285 14.165 -1.295 29 HG23 VAL 3 2HG2 VAL 3 6.979 13.352 -2.716 30 H ILE 4 H ILE 4 7.085 10.355 -1.536 31 HA ILE 4 HA ILE 4 7.115 10.668 1.405 32 HB ILE 4 HB ILE 4 9.145 9.201 -0.287 33 HG12 ILE 4 2HG1 ILE 4 7.014 8.168 -0.726 34 HG13 ILE 4 3HG1 ILE 4 8.042 7.150 0.248 35 HG21 ILE 4 1HG2 ILE 4 8.556 9.099 2.694 36 HG22 ILE 4 2HG2 ILE 4 9.628 7.985 1.823 37 HG23 ILE 4 3HG2 ILE 4 10.029 9.694 1.906 38 HD11 ILE 4 3HD1 ILE 4 5.743 7.003 1.021 39 HD12 ILE 4 1HD1 ILE 4 6.721 7.759 2.282 40 HD13 ILE 4 2HD1 ILE 4 5.665 8.765 1.253 41 H SER 5 H SER 5 9.075 11.544 -1.550 42 HA SER 5 HA SER 5 10.291 13.799 -0.140 43 HB2 SER 5 2HB SER 5 12.582 13.073 -0.636 44 HB3 SER 5 3HB SER 5 11.788 11.827 0.351 45 HG SER 5 HG SER 5 12.770 10.797 -1.215 46 H ARG 6 H ARG 6 11.956 14.809 -1.867 47 HA ARG 6 HA ARG 6 10.444 15.724 -4.069 48 HB2 ARG 6 2HB ARG 6 12.428 16.791 -2.897 49 HB3 ARG 6 3HB ARG 6 13.481 15.679 -3.771 50 HG2 ARG 6 2HG ARG 6 12.895 16.623 -5.899 51 HG3 ARG 6 3HG ARG 6 11.582 17.581 -5.199 52 HD2 ARG 6 2HD ARG 6 14.560 17.940 -4.655 53 HD3 ARG 6 3HD ARG 6 13.553 18.956 -5.704 54 HE ARG 6 HE ARG 6 12.359 18.872 -3.149 55 HH11 ARG 6 1HH1 ARG 6 15.251 20.289 -4.691 56 HH12 ARG 6 2HH1 ARG 6 15.462 21.493 -3.467 57 HH21 ARG 6 1HH2 ARG 6 12.766 20.364 -1.469 58 HH22 ARG 6 2HH2 ARG 6 14.071 21.512 -1.634 59 H HIS 7 H HIS 7 12.321 12.777 -3.778 60 HA HIS 7 HA HIS 7 12.006 12.294 -6.711 61 HB2 HIS 7 2HB HIS 7 14.256 11.313 -4.938 62 HB3 HIS 7 3HB HIS 7 14.106 11.135 -6.687 63 HD1 HIS 7 1HD HIS 7 13.983 13.752 -7.988 64 HD2 HIS 7 2HD HIS 7 15.684 13.334 -4.151 65 HE1 HIS 7 1HE HIS 7 15.415 15.830 -7.597 66 H VAL 8 H VAL 8 10.339 11.491 -4.089 67 HA VAL 8 HA VAL 8 10.067 8.676 -4.966 68 HB VAL 8 HB VAL 8 10.321 9.574 -2.069 69 HG11 VAL 8 1HG1 VAL 8 10.225 7.113 -1.604 70 HG12 VAL 8 2HG1 VAL 8 8.728 7.731 -2.309 71 HG13 VAL 8 3HG1 VAL 8 9.876 6.855 -3.331 72 HG21 VAL 8 3HG2 VAL 8 12.203 7.940 -3.787 73 HG22 VAL 8 1HG2 VAL 8 12.556 9.521 -3.092 74 HG23 VAL 8 2HG2 VAL 8 12.362 8.148 -2.030 75 H ALA 9 H ALA 9 8.020 8.487 -5.624 76 HA ALA 9 HA ALA 9 5.735 9.338 -3.990 77 HB1 ALA 9 1HB ALA 9 6.319 10.563 -6.719 78 HB2 ALA 9 2HB ALA 9 4.776 10.669 -5.861 79 HB3 ALA 9 3HB ALA 9 6.197 11.419 -5.157 80 H ILE 10 H ILE 10 4.567 7.484 -4.052 81 HA ILE 10 HA ILE 10 4.785 5.600 -6.363 82 HB ILE 10 HB ILE 10 3.172 5.211 -3.822 83 HG12 ILE 10 2HG1 ILE 10 5.988 4.258 -4.442 84 HG13 ILE 10 3HG1 ILE 10 5.537 5.442 -3.232 85 HG21 ILE 10 1HG2 ILE 10 3.027 2.886 -4.481 86 HG22 ILE 10 2HG2 ILE 10 2.533 3.812 -5.859 87 HG23 ILE 10 3HG2 ILE 10 4.176 3.136 -5.816 88 HD11 ILE 10 3HD1 ILE 10 5.990 3.233 -2.267 89 HD12 ILE 10 1HD1 ILE 10 4.337 3.781 -1.896 90 HD13 ILE 10 2HD1 ILE 10 4.664 2.521 -3.129 91 HA PRO 11 HA PRO 11 0.927 7.506 -7.753 92 HB2 PRO 11 2HB PRO 11 0.327 5.979 -9.916 93 HB3 PRO 11 3HB PRO 11 1.735 7.066 -9.865 94 HG2 PRO 11 2HG PRO 11 1.663 4.097 -9.233 95 HG3 PRO 11 3HG PRO 11 2.726 4.945 -10.408 96 HD2 PRO 11 2HD PRO 11 3.593 4.410 -7.914 97 HD3 PRO 11 3HD PRO 11 3.980 5.970 -8.693 98 H ASP 12 H ASP 12 0.891 5.161 -5.675 99 HA ASP 12 HA ASP 12 -0.598 4.029 -4.461 100 HB2 ASP 12 2HB ASP 12 -2.700 5.603 -6.003 101 HB3 ASP 12 3HB ASP 12 -3.016 4.586 -4.625 102 H GLY 13 H GLY 13 -0.693 3.503 -7.869 103 HA2 GLY 13 2HA GLY 13 -2.556 1.212 -7.669 104 HA3 GLY 13 3HA GLY 13 -1.874 1.937 -9.121 105 H GLU 14 H GLU 14 0.808 1.777 -7.478 106 HA GLU 14 HA GLU 14 1.692 -0.699 -8.721 107 HB2 GLU 14 2HB GLU 14 2.956 1.427 -6.956 108 HB3 GLU 14 3HB GLU 14 3.867 -0.018 -7.401 109 HG2 GLU 14 2HG GLU 14 2.798 2.105 -9.266 110 HG3 GLU 14 3HG GLU 14 4.479 1.787 -8.861 111 H LEU 15 H LEU 15 -0.092 -0.244 -5.980 112 HA LEU 15 HA LEU 15 1.287 -2.270 -4.294 113 HB2 LEU 15 2HB LEU 15 -1.148 -0.592 -3.615 114 HB3 LEU 15 3HB LEU 15 -0.034 -1.412 -2.515 115 HG LEU 15 HG LEU 15 0.448 1.145 -4.122 116 HD11 LEU 15 1HD1 LEU 15 -0.756 1.226 -1.953 117 HD12 LEU 15 2HD1 LEU 15 0.814 2.128 -1.952 118 HD13 LEU 15 3HD1 LEU 15 0.691 0.534 -1.168 119 HD21 LEU 15 3HD2 LEU 15 2.390 -0.515 -2.540 120 HD22 LEU 15 1HD2 LEU 15 2.708 1.180 -2.947 121 HD23 LEU 15 2HD2 LEU 15 2.581 -0.027 -4.237 122 H GLU 16 H GLU 16 -0.129 -3.857 -3.265 123 HA GLU 16 HA GLU 16 -2.405 -4.717 -5.033 124 HB2 GLU 16 2HB GLU 16 -0.452 -6.344 -5.005 125 HB3 GLU 16 3HB GLU 16 -0.742 -6.545 -3.264 126 HG2 GLU 16 2HG GLU 16 -1.829 -8.353 -4.344 127 HG3 GLU 16 3HG GLU 16 -3.080 -7.270 -3.770 128 H ILE 17 H ILE 17 -4.166 -3.860 -4.034 129 HA ILE 17 HA ILE 17 -4.283 -3.998 -1.073 130 HB ILE 17 HB ILE 17 -5.748 -2.282 -3.095 131 HG12 ILE 17 2HG1 ILE 17 -3.804 -1.419 -0.876 132 HG13 ILE 17 3HG1 ILE 17 -3.201 -1.847 -2.465 133 HG21 ILE 17 1HG2 ILE 17 -5.878 -2.318 -0.046 134 HG22 ILE 17 2HG2 ILE 17 -6.666 -1.111 -1.083 135 HG23 ILE 17 3HG2 ILE 17 -7.196 -2.793 -1.142 136 HD11 ILE 17 3HD1 ILE 17 -3.427 0.482 -2.489 137 HD12 ILE 17 1HD1 ILE 17 -4.702 -0.221 -3.509 138 HD13 ILE 17 2HD1 ILE 17 -5.092 0.408 -1.881 139 H THR 18 H THR 18 -6.000 -5.160 -0.137 140 HA THR 18 HA THR 18 -7.819 -6.642 -1.932 141 HB THR 18 HB THR 18 -6.242 -8.198 0.120 142 HG1 THR 18 1HG THR 18 -5.303 -7.879 -2.548 143 HG21 THR 18 3HG2 THR 18 -7.998 -9.421 -1.027 144 HG22 THR 18 1HG2 THR 18 -6.412 -10.005 -1.594 145 HG23 THR 18 2HG2 THR 18 -7.351 -8.899 -2.601 146 H ALA 19 H ALA 19 -9.551 -7.748 -0.643 147 HA ALA 19 HA ALA 19 -10.223 -6.161 1.767 148 HB1 ALA 19 1HB ALA 19 -11.764 -8.133 0.020 149 HB2 ALA 19 2HB ALA 19 -12.420 -7.389 1.479 150 HB3 ALA 19 3HB ALA 19 -11.957 -6.359 0.114 151 H ILE 20 H ILE 20 -10.528 -7.031 3.801 152 HA ILE 20 HA ILE 20 -9.887 -9.909 4.124 153 HB ILE 20 HB ILE 20 -9.326 -8.647 6.604 154 HG12 ILE 20 2HG1 ILE 20 -7.772 -7.337 4.355 155 HG13 ILE 20 3HG1 ILE 20 -8.875 -6.545 5.473 156 HG21 ILE 20 1HG2 ILE 20 -8.542 -10.810 5.679 157 HG22 ILE 20 2HG2 ILE 20 -7.470 -9.927 4.575 158 HG23 ILE 20 3HG2 ILE 20 -7.232 -9.843 6.346 159 HD11 ILE 20 3HD1 ILE 20 -6.628 -6.128 6.244 160 HD12 ILE 20 1HD1 ILE 20 -7.415 -7.224 7.388 161 HD13 ILE 20 2HD1 ILE 20 -6.227 -7.840 6.207 162 H ARG 21 H ARG 21 -11.262 -11.057 5.133 163 HA ARG 21 HA ARG 21 -13.604 -9.901 6.505 164 HB2 ARG 21 2HB ARG 21 -13.986 -10.756 4.151 165 HB3 ARG 21 3HB ARG 21 -13.346 -12.324 4.675 166 HG2 ARG 21 2HG ARG 21 -15.255 -12.425 6.359 167 HG3 ARG 21 3HG ARG 21 -15.915 -10.972 5.583 168 HD2 ARG 21 2HD ARG 21 -15.879 -12.208 3.392 169 HD3 ARG 21 3HD ARG 21 -15.293 -13.641 4.236 170 HE ARG 21 HE ARG 21 -17.348 -13.680 5.552 171 HH11 ARG 21 1HH1 ARG 21 -17.509 -11.719 2.581 172 HH12 ARG 21 2HH1 ARG 21 -19.149 -12.158 2.214 173 HH21 ARG 21 1HH2 ARG 21 -19.615 -13.961 5.255 174 HH22 ARG 21 2HH2 ARG 21 -20.360 -13.423 3.793 175 H ALA 22 H ALA 22 -14.264 -11.280 8.326 176 HA ALA 22 HA ALA 22 -12.039 -12.713 9.570 177 HB1 ALA 22 1HB ALA 22 -13.534 -12.798 11.486 178 HB2 ALA 22 2HB ALA 22 -13.607 -11.160 10.790 179 HB3 ALA 22 3HB ALA 22 -14.911 -12.340 10.477 180 H GLN 23 H GLN 23 -12.463 -14.882 10.546 181 HA GLN 23 HA GLN 23 -14.423 -16.606 9.212 182 HB2 GLN 23 2HB GLN 23 -11.429 -17.135 9.360 183 HB3 GLN 23 3HB GLN 23 -12.654 -18.307 8.853 184 HG2 GLN 23 2HG GLN 23 -13.231 -16.842 6.916 185 HG3 GLN 23 3HG GLN 23 -11.940 -15.723 7.385 186 HE21 GLN 23 1HE2 GLN 23 -12.248 -17.480 4.867 187 HE22 GLN 23 2HE2 GLN 23 -10.740 -18.363 4.859 188 H GLY 24 H GLY 24 -14.820 -18.492 10.602 189 HA2 GLY 24 2HA GLY 24 -13.784 -19.518 12.788 190 HA3 GLY 24 3HA GLY 24 -14.283 -17.952 13.443 191 H ALA 25 H ALA 25 -16.146 -18.521 14.610 192 HA ALA 25 HA ALA 25 -18.352 -19.854 13.094 193 HB1 ALA 25 1HB ALA 25 -17.764 -19.941 16.076 194 HB2 ALA 25 2HB ALA 25 -19.190 -20.628 15.274 195 HB3 ALA 25 3HB ALA 25 -17.582 -21.289 14.931 196 H GLY 26 H GLY 26 -20.220 -18.663 12.958 197 HA2 GLY 26 2HA GLY 26 -20.137 -15.870 13.850 198 HA3 GLY 26 3HA GLY 26 -21.411 -16.664 12.908 199 H GLY 27 H GLY 27 -20.436 -15.673 16.062 200 HA2 GLY 27 2HA GLY 27 -22.100 -17.548 17.571 201 HA3 GLY 27 3HA GLY 27 -21.353 -16.046 18.168 202 H GLN 28 H GLN 28 -24.208 -17.019 18.471 203 HA GLN 28 HA GLN 28 -25.935 -15.567 16.777 204 HB2 GLN 28 2HB GLN 28 -26.571 -17.389 18.358 205 HB3 GLN 28 3HB GLN 28 -26.329 -16.285 19.718 206 HG2 GLN 28 2HG GLN 28 -28.164 -14.839 18.867 207 HG3 GLN 28 3HG GLN 28 -28.351 -15.905 17.463 208 HE21 GLN 28 1HE2 GLN 28 -29.350 -15.364 20.770 209 HE22 GLN 28 2HE2 GLN 28 -30.178 -16.909 20.914 210 H HIS 29 H HIS 29 -23.959 -14.436 19.445 211 HA HIS 29 HA HIS 29 -25.376 -11.852 19.629 212 HB2 HIS 29 2HB HIS 29 -23.151 -13.197 21.179 213 HB3 HIS 29 3HB HIS 29 -23.500 -11.481 21.349 214 HD1 HIS 29 1HD HIS 29 -24.470 -11.399 23.693 215 HD2 HIS 29 2HD HIS 29 -26.305 -14.220 21.152 216 HE1 HIS 29 1HE HIS 29 -26.575 -12.263 24.915 217 H VAL 30 H VAL 30 -24.758 -11.582 17.175 218 HA VAL 30 HA VAL 30 -22.356 -9.891 17.188 219 HB VAL 30 HB VAL 30 -21.654 -12.157 16.395 220 HG11 VAL 30 1HG1 VAL 30 -22.340 -13.047 14.297 221 HG12 VAL 30 2HG1 VAL 30 -23.822 -12.699 15.196 222 HG13 VAL 30 3HG1 VAL 30 -23.312 -11.606 13.898 223 HG21 VAL 30 3HG2 VAL 30 -21.484 -9.936 14.312 224 HG22 VAL 30 1HG2 VAL 30 -20.445 -10.116 15.750 225 HG23 VAL 30 2HG2 VAL 30 -20.400 -11.335 14.468 226 H ASN 31 H ASN 31 -22.621 -8.113 15.919 227 HA ASN 31 HA ASN 31 -25.118 -7.897 14.290 228 HB2 ASN 31 2HB ASN 31 -24.260 -5.849 16.366 229 HB3 ASN 31 3HB ASN 31 -25.639 -5.718 15.274 230 HD21 ASN 31 1HD2 ASN 31 -27.188 -7.883 15.476 231 HD22 ASN 31 2HD2 ASN 31 -27.549 -8.250 17.135 232 H LYS 32 H LYS 32 -21.781 -7.010 14.790 233 HA LYS 32 HA LYS 32 -21.744 -4.901 12.742 234 HB2 LYS 32 2HB LYS 32 -19.578 -6.267 14.405 235 HB3 LYS 32 3HB LYS 32 -19.276 -4.975 13.238 236 HG2 LYS 32 2HG LYS 32 -20.799 -3.472 14.509 237 HG3 LYS 32 3HG LYS 32 -21.047 -4.750 15.707 238 HD2 LYS 32 2HD LYS 32 -19.417 -3.344 16.650 239 HD3 LYS 32 3HD LYS 32 -18.554 -4.781 16.093 240 HE2 LYS 32 2HE LYS 32 -17.154 -3.000 15.434 241 HE3 LYS 32 3HE LYS 32 -18.029 -3.406 13.954 242 HZ1 LYS 32 3HZ LYS 32 -19.635 -1.556 14.779 243 HZ2 LYS 32 1HZ LYS 32 -18.201 -1.117 14.100 244 HZ3 LYS 32 2HZ LYS 32 -18.373 -1.082 15.719 245 H THR 33 H THR 33 -19.667 -5.381 11.092 246 HA THR 33 HA THR 33 -19.814 -8.157 10.143 247 HB THR 33 HB THR 33 -19.995 -7.324 7.833 248 HG1 THR 33 1HG THR 33 -20.046 -5.328 7.416 249 HG21 THR 33 3HG2 THR 33 -22.051 -8.081 9.093 250 HG22 THR 33 1HG2 THR 33 -22.377 -6.914 7.804 251 HG23 THR 33 2HG2 THR 33 -22.372 -6.386 9.496 252 H SER 34 H SER 34 -17.940 -8.841 9.080 253 HA SER 34 HA SER 34 -15.517 -7.591 9.953 254 HB2 SER 34 2HB SER 34 -15.535 -9.663 7.813 255 HB3 SER 34 3HB SER 34 -14.542 -9.537 9.277 256 HG SER 34 HG SER 34 -16.306 -10.313 10.483 257 H THR 35 H THR 35 -14.857 -5.695 8.949 258 HA THR 35 HA THR 35 -14.909 -5.581 5.989 259 HB THR 35 HB THR 35 -15.714 -3.117 7.517 260 HG1 THR 35 1HG THR 35 -17.176 -4.765 8.226 261 HG21 THR 35 3HG2 THR 35 -16.515 -4.311 4.831 262 HG22 THR 35 1HG2 THR 35 -15.222 -3.110 5.085 263 HG23 THR 35 2HG2 THR 35 -16.908 -2.671 5.412 264 H ALA 36 H ALA 36 -12.623 -5.713 5.771 265 HA ALA 36 HA ALA 36 -11.215 -3.348 6.751 266 HB1 ALA 36 1HB ALA 36 -10.284 -6.205 7.327 267 HB2 ALA 36 2HB ALA 36 -9.367 -4.714 7.675 268 HB3 ALA 36 3HB ALA 36 -10.885 -5.051 8.536 269 H ILE 37 H ILE 37 -8.906 -3.385 5.870 270 HA ILE 37 HA ILE 37 -8.870 -4.543 3.140 271 HB ILE 37 HB ILE 37 -8.412 -1.666 4.013 272 HG12 ILE 37 2HG1 ILE 37 -10.731 -2.224 3.247 273 HG13 ILE 37 3HG1 ILE 37 -9.908 -1.052 2.237 274 HG21 ILE 37 1HG2 ILE 37 -7.598 -1.355 1.572 275 HG22 ILE 37 2HG2 ILE 37 -6.464 -2.027 2.725 276 HG23 ILE 37 3HG2 ILE 37 -7.318 -3.079 1.571 277 HD11 ILE 37 3HD1 ILE 37 -9.366 -2.873 0.581 278 HD12 ILE 37 1HD1 ILE 37 -10.333 -3.982 1.577 279 HD13 ILE 37 2HD1 ILE 37 -11.090 -2.574 0.805 280 H HIS 38 H HIS 38 -6.918 -5.149 2.472 281 HA HIS 38 HA HIS 38 -4.687 -5.143 4.384 282 HB2 HIS 38 2HB HIS 38 -5.730 -7.396 3.773 283 HB3 HIS 38 3HB HIS 38 -5.293 -7.094 2.106 284 HD1 HIS 38 1HD HIS 38 -2.555 -7.205 1.609 285 HD2 HIS 38 2HD HIS 38 -3.955 -8.252 5.436 286 HE1 HIS 38 1HE HIS 38 -0.688 -8.562 2.752 287 H LEU 39 H LEU 39 -2.837 -4.187 3.567 288 HA LEU 39 HA LEU 39 -2.825 -3.263 0.719 289 HB2 LEU 39 2HB LEU 39 -3.167 -1.343 2.120 290 HB3 LEU 39 3HB LEU 39 -1.930 -1.828 3.266 291 HG LEU 39 HG LEU 39 -1.056 -1.459 0.408 292 HD11 LEU 39 1HD1 LEU 39 -0.777 0.999 0.778 293 HD12 LEU 39 2HD1 LEU 39 -1.775 0.868 2.237 294 HD13 LEU 39 3HD1 LEU 39 -2.463 0.487 0.644 295 HD21 LEU 39 3HD2 LEU 39 0.543 -2.001 2.423 296 HD22 LEU 39 1HD2 LEU 39 0.282 -0.298 2.881 297 HD23 LEU 39 2HD2 LEU 39 0.995 -0.703 1.325 298 H ARG 40 H ARG 40 -1.014 -4.001 -0.378 299 HA ARG 40 HA ARG 40 1.242 -5.055 1.215 300 HB2 ARG 40 2HB ARG 40 0.002 -7.022 0.565 301 HB3 ARG 40 3HB ARG 40 -0.279 -6.390 -1.065 302 HG2 ARG 40 2HG ARG 40 2.068 -6.520 -1.619 303 HG3 ARG 40 3HG ARG 40 2.445 -7.011 0.034 304 HD2 ARG 40 2HD ARG 40 1.447 -9.145 -0.254 305 HD3 ARG 40 3HD ARG 40 0.641 -8.636 -1.764 306 HE ARG 40 HE ARG 40 3.138 -8.211 -2.505 307 HH11 ARG 40 1HH1 ARG 40 2.156 -11.035 -0.629 308 HH12 ARG 40 2HH1 ARG 40 3.124 -12.147 -1.514 309 HH21 ARG 40 1HH2 ARG 40 4.619 -9.485 -3.477 310 HH22 ARG 40 2HH2 ARG 40 4.677 -11.203 -3.180 311 H PHE 41 H PHE 41 3.074 -4.220 0.548 312 HA PHE 41 HA PHE 41 3.240 -2.975 -2.165 313 HB2 PHE 41 2HB PHE 41 3.067 -1.184 -0.525 314 HB3 PHE 41 3HB PHE 41 4.262 -1.949 0.504 315 HD1 PHE 41 2HD PHE 41 4.242 -1.290 -3.218 316 HD2 PHE 41 1HD PHE 41 6.249 -0.744 0.554 317 HE1 PHE 41 2HE PHE 41 6.056 -0.074 -4.373 318 HE2 PHE 41 1HE PHE 41 8.126 0.357 -0.609 319 HZ PHE 41 HZ PHE 41 8.027 0.736 -3.066 320 H ASP 42 H ASP 42 4.607 -4.157 -3.363 321 HA ASP 42 HA ASP 42 6.776 -5.762 -2.188 322 HB2 ASP 42 2HB ASP 42 5.660 -5.422 -5.008 323 HB3 ASP 42 3HB ASP 42 7.155 -6.294 -4.668 324 H ILE 43 H ILE 43 8.558 -4.450 -1.644 325 HA ILE 43 HA ILE 43 9.194 -1.990 -2.948 326 HB ILE 43 HB ILE 43 10.981 -3.923 -1.388 327 HG12 ILE 43 2HG1 ILE 43 10.780 -1.650 0.122 328 HG13 ILE 43 3HG1 ILE 43 9.229 -1.572 -0.667 329 HG21 ILE 43 1HG2 ILE 43 11.619 -1.041 -2.121 330 HG22 ILE 43 2HG2 ILE 43 12.594 -2.152 -1.120 331 HG23 ILE 43 3HG2 ILE 43 12.376 -2.479 -2.824 332 HD11 ILE 43 3HD1 ILE 43 8.502 -3.605 0.312 333 HD12 ILE 43 1HD1 ILE 43 10.170 -4.100 0.672 334 HD13 ILE 43 2HD1 ILE 43 9.446 -2.796 1.601 335 H ARG 44 H ARG 44 10.248 -5.377 -3.610 336 HA ARG 44 HA ARG 44 12.215 -4.680 -5.545 337 HB2 ARG 44 2HB ARG 44 10.447 -7.160 -5.291 338 HB3 ARG 44 3HB ARG 44 11.780 -7.034 -6.417 339 HG2 ARG 44 2HG ARG 44 12.239 -6.512 -3.443 340 HG3 ARG 44 3HG ARG 44 12.271 -8.150 -4.059 341 HD2 ARG 44 2HD ARG 44 13.911 -5.927 -5.265 342 HD3 ARG 44 3HD ARG 44 14.485 -6.980 -3.944 343 HE ARG 44 HE ARG 44 13.464 -8.465 -6.214 344 HH11 ARG 44 1HH1 ARG 44 16.364 -6.839 -4.915 345 HH12 ARG 44 2HH1 ARG 44 17.454 -7.840 -5.848 346 HH21 ARG 44 1HH2 ARG 44 14.988 -9.567 -7.614 347 HH22 ARG 44 2HH2 ARG 44 16.686 -9.286 -7.373 348 H ALA 45 H ALA 45 8.743 -4.771 -5.833 349 HA ALA 45 HA ALA 45 8.836 -4.592 -8.772 350 HB1 ALA 45 1HB ALA 45 7.142 -6.003 -7.540 351 HB2 ALA 45 2HB ALA 45 6.463 -4.498 -6.878 352 HB3 ALA 45 3HB ALA 45 6.417 -4.792 -8.619 353 H SER 46 H SER 46 9.463 -2.301 -6.499 354 HA SER 46 HA SER 46 7.679 -0.258 -7.658 355 HB2 SER 46 2HB SER 46 8.238 1.021 -5.724 356 HB3 SER 46 3HB SER 46 7.971 -0.655 -5.212 357 HG SER 46 HG SER 46 10.164 -0.967 -5.055 358 H SER 47 H SER 47 8.641 2.009 -7.705 359 HA SER 47 HA SER 47 11.015 2.094 -9.483 360 HB2 SER 47 2HB SER 47 8.437 3.150 -9.691 361 HB3 SER 47 3HB SER 47 9.393 4.535 -9.171 362 HG SER 47 HG SER 47 9.160 3.929 -11.525 363 H LEU 48 H LEU 48 10.578 2.150 -6.264 364 HA LEU 48 HA LEU 48 11.526 4.590 -5.277 365 HB2 LEU 48 2HB LEU 48 12.017 1.733 -4.294 366 HB3 LEU 48 3HB LEU 48 12.451 3.151 -3.374 367 HG LEU 48 HG LEU 48 9.641 2.237 -4.062 368 HD11 LEU 48 1HD1 LEU 48 9.505 1.990 -1.610 369 HD12 LEU 48 2HD1 LEU 48 11.124 2.639 -1.410 370 HD13 LEU 48 3HD1 LEU 48 10.867 1.070 -2.223 371 HD21 LEU 48 3HD2 LEU 48 8.852 4.128 -2.695 372 HD22 LEU 48 1HD2 LEU 48 9.618 4.660 -4.183 373 HD23 LEU 48 2HD2 LEU 48 10.510 4.769 -2.633 374 HA PRO 49 HA PRO 49 15.801 4.774 -6.360 375 HB2 PRO 49 2HB PRO 49 16.938 5.997 -4.134 376 HB3 PRO 49 3HB PRO 49 15.938 6.856 -5.348 377 HG2 PRO 49 2HG PRO 49 15.078 5.755 -2.714 378 HG3 PRO 49 3HG PRO 49 14.721 7.378 -3.397 379 HD2 PRO 49 2HD PRO 49 12.912 5.368 -3.542 380 HD3 PRO 49 3HD PRO 49 13.138 6.441 -4.945 381 H GLU 50 H GLU 50 17.690 3.591 -6.000 382 HA GLU 50 HA GLU 50 17.560 1.109 -4.851 383 HB2 GLU 50 2HB GLU 50 20.079 1.143 -5.123 384 HB3 GLU 50 3HB GLU 50 19.134 1.599 -6.548 385 HG2 GLU 50 2HG GLU 50 19.585 4.009 -6.066 386 HG3 GLU 50 3HG GLU 50 20.521 3.528 -4.649 387 H TYR 51 H TYR 51 18.767 4.096 -3.268 388 HA TYR 51 HA TYR 51 19.804 2.849 -0.942 389 HB2 TYR 51 2HB TYR 51 20.124 5.258 -1.613 390 HB3 TYR 51 3HB TYR 51 18.459 5.575 -1.145 391 HD1 TYR 51 1HD TYR 51 21.770 4.376 0.103 392 HD2 TYR 51 2HD TYR 51 17.929 6.031 1.185 393 HE1 TYR 51 1HE TYR 51 22.531 4.612 2.432 394 HE2 TYR 51 2HE TYR 51 18.671 6.244 3.529 395 HH TYR 51 HH TYR 51 20.373 5.560 5.090 396 H TYR 52 H TYR 52 16.493 3.996 -1.741 397 HA TYR 52 HA TYR 52 15.405 3.343 0.859 398 HB2 TYR 52 2HB TYR 52 14.039 3.837 -1.801 399 HB3 TYR 52 3HB TYR 52 13.193 3.342 -0.374 400 HD1 TYR 52 2HD TYR 52 16.061 5.878 -0.325 401 HD2 TYR 52 1HD TYR 52 11.784 5.332 -0.372 402 HE1 TYR 52 2HE TYR 52 15.774 8.134 0.494 403 HE2 TYR 52 1HE TYR 52 11.493 7.611 0.508 404 HH TYR 52 HH TYR 52 14.237 9.644 1.462 405 H LYS 53 H LYS 53 15.784 1.590 -2.257 406 HA LYS 53 HA LYS 53 14.157 -0.631 -1.595 407 HB2 LYS 53 2HB LYS 53 16.752 -0.661 -3.193 408 HB3 LYS 53 3HB LYS 53 15.580 -1.944 -3.180 409 HG2 LYS 53 2HG LYS 53 14.826 0.838 -4.150 410 HG3 LYS 53 3HG LYS 53 15.703 -0.308 -5.145 411 HD2 LYS 53 2HD LYS 53 13.787 -1.955 -4.739 412 HD3 LYS 53 3HD LYS 53 12.915 -0.589 -4.021 413 HE2 LYS 53 2HE LYS 53 12.207 -0.764 -6.302 414 HE3 LYS 53 3HE LYS 53 13.253 0.666 -6.159 415 HZ1 LYS 53 3HZ LYS 53 13.960 -1.947 -7.351 416 HZ2 LYS 53 1HZ LYS 53 15.079 -0.775 -7.004 417 HZ3 LYS 53 2HZ LYS 53 13.870 -0.507 -8.081 418 H GLU 54 H GLU 54 17.707 -0.226 -1.119 419 HA GLU 54 HA GLU 54 17.987 -2.622 0.392 420 HB2 GLU 54 2HB GLU 54 19.612 -0.055 0.452 421 HB3 GLU 54 3HB GLU 54 20.083 -1.530 1.265 422 HG2 GLU 54 2HG GLU 54 19.449 -2.142 -1.527 423 HG3 GLU 54 3HG GLU 54 20.593 -0.808 -1.448 424 H ARG 55 H ARG 55 17.155 0.725 1.447 425 HA ARG 55 HA ARG 55 17.450 0.142 4.256 426 HB2 ARG 55 2HB ARG 55 16.328 2.384 2.647 427 HB3 ARG 55 3HB ARG 55 15.505 2.126 4.169 428 HG2 ARG 55 2HG ARG 55 17.360 3.763 4.397 429 HG3 ARG 55 3HG ARG 55 17.572 2.346 5.424 430 HD2 ARG 55 2HD ARG 55 18.970 1.471 3.363 431 HD3 ARG 55 3HD ARG 55 19.070 3.151 2.920 432 HE ARG 55 HE ARG 55 20.600 3.487 4.593 433 HH11 ARG 55 1HH1 ARG 55 18.994 0.388 5.375 434 HH12 ARG 55 2HH1 ARG 55 20.136 -0.042 6.587 435 HH21 ARG 55 1HH2 ARG 55 22.050 2.924 6.288 436 HH22 ARG 55 2HH2 ARG 55 21.870 1.421 7.113 437 H LEU 56 H LEU 56 14.630 -0.061 2.101 438 HA LEU 56 HA LEU 56 12.923 -0.915 4.289 439 HB2 LEU 56 2HB LEU 56 12.636 -1.129 1.278 440 HB3 LEU 56 3HB LEU 56 11.367 -1.520 2.457 441 HG LEU 56 HG LEU 56 12.533 1.214 1.801 442 HD11 LEU 56 1HD1 LEU 56 9.784 0.002 1.535 443 HD12 LEU 56 2HD1 LEU 56 10.881 0.579 0.264 444 HD13 LEU 56 3HD1 LEU 56 10.097 1.725 1.352 445 HD21 LEU 56 3HD2 LEU 56 11.030 2.189 3.482 446 HD22 LEU 56 1HD2 LEU 56 12.402 1.298 4.133 447 HD23 LEU 56 2HD2 LEU 56 10.775 0.552 4.145 448 H LEU 57 H LEU 57 14.944 -2.649 1.801 449 HA LEU 57 HA LEU 57 13.927 -5.225 2.512 450 HB2 LEU 57 2HB LEU 57 16.452 -4.263 1.173 451 HB3 LEU 57 3HB LEU 57 16.290 -5.957 1.621 452 HG LEU 57 HG LEU 57 14.139 -4.605 -0.045 453 HD11 LEU 57 1HD1 LEU 57 15.360 -5.721 -2.004 454 HD12 LEU 57 2HD1 LEU 57 16.733 -5.918 -0.915 455 HD13 LEU 57 3HD1 LEU 57 16.190 -4.274 -1.281 456 HD21 LEU 57 3HD2 LEU 57 15.002 -7.514 0.159 457 HD22 LEU 57 1HD2 LEU 57 13.650 -6.869 -0.800 458 HD23 LEU 57 2HD2 LEU 57 13.594 -6.816 0.975 459 H ALA 58 H ALA 58 16.311 -3.153 3.889 460 HA ALA 58 HA ALA 58 17.319 -5.092 5.876 461 HB1 ALA 58 1HB ALA 58 18.026 -2.175 5.340 462 HB2 ALA 58 2HB ALA 58 18.872 -3.275 6.443 463 HB3 ALA 58 3HB ALA 58 18.901 -3.576 4.698 464 H ALA 59 H ALA 59 14.435 -3.821 5.769 465 HA ALA 59 HA ALA 59 14.397 -2.256 8.250 466 HB1 ALA 59 1HB ALA 59 11.996 -2.127 7.788 467 HB2 ALA 59 2HB ALA 59 12.998 -1.549 6.410 468 HB3 ALA 59 3HB ALA 59 12.194 -3.155 6.394 469 H SER 60 H SER 60 14.613 -3.422 10.075 470 HA SER 60 HA SER 60 13.441 -6.088 10.339 471 HB2 SER 60 2HB SER 60 15.614 -5.426 11.281 472 HB3 SER 60 3HB SER 60 14.837 -4.169 12.231 473 HG SER 60 HG SER 60 14.502 -6.982 12.507 474 H HIS 61 H HIS 61 11.232 -5.554 9.918 475 HA HIS 61 HA HIS 61 9.767 -4.300 12.187 476 HB2 HIS 61 2HB HIS 61 9.875 -3.008 9.778 477 HB3 HIS 61 3HB HIS 61 8.661 -4.160 9.390 478 HD1 HIS 61 1HD HIS 61 6.647 -4.173 11.781 479 HD2 HIS 61 2HD HIS 61 8.723 -0.749 10.409 480 HE1 HIS 61 1HE HIS 61 5.270 -2.197 12.441 481 H HIS 62 H HIS 62 8.161 -5.614 12.904 482 HA HIS 62 HA HIS 62 7.792 -8.270 12.072 483 HB2 HIS 62 2HB HIS 62 5.990 -8.247 13.731 484 HB3 HIS 62 3HB HIS 62 7.388 -7.363 14.339 485 HD1 HIS 62 1HD HIS 62 7.057 -4.688 14.726 486 HD2 HIS 62 2HD HIS 62 3.744 -6.831 13.226 487 HE1 HIS 62 1HE HIS 62 5.075 -3.096 14.777 488 H LEU 63 H LEU 63 6.905 -5.742 10.239 489 HA LEU 63 HA LEU 63 4.391 -6.928 9.175 490 HB2 LEU 63 2HB LEU 63 5.337 -4.039 9.160 491 HB3 LEU 63 3HB LEU 63 3.913 -4.626 8.316 492 HG LEU 63 HG LEU 63 4.304 -4.557 11.328 493 HD11 LEU 63 1HD1 LEU 63 2.588 -2.841 11.282 494 HD12 LEU 63 2HD1 LEU 63 2.436 -3.003 9.512 495 HD13 LEU 63 3HD1 LEU 63 3.945 -2.372 10.242 496 HD21 LEU 63 3HD2 LEU 63 1.895 -5.205 11.447 497 HD22 LEU 63 1HD2 LEU 63 2.872 -6.492 10.751 498 HD23 LEU 63 2HD2 LEU 63 1.881 -5.466 9.688 499 H ILE 64 H ILE 64 7.759 -6.443 8.530 500 HA ILE 64 HA ILE 64 7.268 -6.451 5.608 501 HB ILE 64 HB ILE 64 9.649 -5.567 7.275 502 HG12 ILE 64 2HG1 ILE 64 7.599 -3.994 5.647 503 HG13 ILE 64 3HG1 ILE 64 7.675 -4.019 7.387 504 HG21 ILE 64 1HG2 ILE 64 9.211 -5.379 4.246 505 HG22 ILE 64 2HG2 ILE 64 10.641 -4.839 5.172 506 HG23 ILE 64 3HG2 ILE 64 10.304 -6.527 5.054 507 HD11 ILE 64 3HD1 ILE 64 9.792 -2.877 5.554 508 HD12 ILE 64 1HD1 ILE 64 8.663 -2.009 6.593 509 HD13 ILE 64 2HD1 ILE 64 9.910 -3.048 7.336 510 H SER 65 H SER 65 8.128 -8.079 4.396 511 HA SER 65 HA SER 65 9.200 -10.451 5.828 512 HB2 SER 65 2HB SER 65 8.521 -11.643 3.780 513 HB3 SER 65 3HB SER 65 7.191 -10.680 4.435 514 HG SER 65 HG SER 65 7.159 -10.288 2.370 515 H SER 66 H SER 66 10.922 -11.731 4.670 516 HA SER 66 HA SER 66 13.170 -10.138 4.048 517 HB2 SER 66 2HB SER 66 12.880 -13.059 3.332 518 HB3 SER 66 3HB SER 66 14.300 -12.195 3.954 519 HG SER 66 HG SER 66 12.938 -11.847 5.912 520 H ASP 67 H ASP 67 10.584 -11.316 2.035 521 HA ASP 67 HA ASP 67 12.024 -11.251 -0.506 522 HB2 ASP 67 2HB ASP 67 9.111 -11.467 0.284 523 HB3 ASP 67 3HB ASP 67 9.618 -11.311 -1.392 524 H GLY 68 H GLY 68 11.011 -8.868 1.658 525 HA2 GLY 68 2HA GLY 68 11.182 -6.627 1.452 526 HA3 GLY 68 3HA GLY 68 11.427 -6.753 -0.293 527 H VAL 69 H VAL 69 8.736 -7.707 1.972 528 HA VAL 69 HA VAL 69 6.964 -6.066 0.235 529 HB VAL 69 HB VAL 69 6.306 -8.791 1.356 530 HG11 VAL 69 1HG1 VAL 69 4.412 -7.232 1.098 531 HG12 VAL 69 2HG1 VAL 69 4.798 -7.094 -0.633 532 HG13 VAL 69 3HG1 VAL 69 4.313 -8.660 0.073 533 HG21 VAL 69 3HG2 VAL 69 6.307 -9.608 -0.994 534 HG22 VAL 69 1HG2 VAL 69 6.991 -8.060 -1.521 535 HG23 VAL 69 2HG2 VAL 69 7.923 -9.146 -0.464 536 H ILE 70 H ILE 70 5.991 -4.574 1.433 537 HA ILE 70 HA ILE 70 5.867 -4.791 4.395 538 HB ILE 70 HB ILE 70 5.123 -2.402 2.628 539 HG12 ILE 70 2HG1 ILE 70 7.849 -3.258 3.587 540 HG13 ILE 70 3HG1 ILE 70 7.296 -2.649 2.034 541 HG21 ILE 70 1HG2 ILE 70 4.236 -2.390 4.954 542 HG22 ILE 70 2HG2 ILE 70 5.902 -2.507 5.566 543 HG23 ILE 70 3HG2 ILE 70 5.371 -1.082 4.652 544 HD11 ILE 70 3HD1 ILE 70 8.762 -1.053 3.163 545 HD12 ILE 70 1HD1 ILE 70 7.138 -0.365 2.929 546 HD13 ILE 70 2HD1 ILE 70 7.668 -0.953 4.529 547 H VAL 71 H VAL 71 3.894 -5.523 5.269 548 HA VAL 71 HA VAL 71 1.498 -5.012 3.590 549 HB VAL 71 HB VAL 71 0.441 -6.984 4.139 550 HG11 VAL 71 1HG1 VAL 71 1.781 -8.609 2.938 551 HG12 VAL 71 2HG1 VAL 71 2.044 -7.005 2.238 552 HG13 VAL 71 3HG1 VAL 71 3.276 -7.722 3.295 553 HG21 VAL 71 3HG2 VAL 71 1.524 -8.850 5.341 554 HG22 VAL 71 1HG2 VAL 71 2.820 -7.736 5.845 555 HG23 VAL 71 2HG2 VAL 71 1.125 -7.471 6.370 556 H ILE 72 H ILE 72 -0.356 -4.283 4.608 557 HA ILE 72 HA ILE 72 -0.145 -3.566 7.496 558 HB ILE 72 HB ILE 72 -0.853 -1.718 5.186 559 HG12 ILE 72 2HG1 ILE 72 1.624 -1.747 6.961 560 HG13 ILE 72 3HG1 ILE 72 1.553 -2.139 5.238 561 HG21 ILE 72 1HG2 ILE 72 -0.634 -1.001 8.130 562 HG22 ILE 72 2HG2 ILE 72 -1.019 0.093 6.784 563 HG23 ILE 72 3HG2 ILE 72 -2.159 -1.154 7.217 564 HD11 ILE 72 3HD1 ILE 72 0.617 0.251 4.928 565 HD12 ILE 72 1HD1 ILE 72 1.392 0.556 6.490 566 HD13 ILE 72 2HD1 ILE 72 2.349 -0.069 5.101 567 H LYS 73 H LYS 73 -2.232 -3.432 8.521 568 HA LYS 73 HA LYS 73 -4.605 -4.149 6.836 569 HB2 LYS 73 2HB LYS 73 -4.052 -5.317 9.586 570 HB3 LYS 73 3HB LYS 73 -5.348 -5.713 8.451 571 HG2 LYS 73 2HG LYS 73 -3.633 -6.545 6.829 572 HG3 LYS 73 3HG LYS 73 -2.369 -6.207 8.010 573 HD2 LYS 73 2HD LYS 73 -3.474 -7.823 9.599 574 HD3 LYS 73 3HD LYS 73 -4.536 -8.310 8.251 575 HE2 LYS 73 2HE LYS 73 -2.456 -8.738 6.864 576 HE3 LYS 73 3HE LYS 73 -1.465 -8.322 8.246 577 HZ1 LYS 73 3HZ LYS 73 -2.518 -10.250 9.407 578 HZ2 LYS 73 1HZ LYS 73 -1.660 -10.633 8.043 579 HZ3 LYS 73 2HZ LYS 73 -3.288 -10.624 7.996 580 H ALA 74 H ALA 74 -5.421 -2.077 6.856 581 HA ALA 74 HA ALA 74 -5.696 -0.608 9.401 582 HB1 ALA 74 1HB ALA 74 -4.945 0.591 7.384 583 HB2 ALA 74 2HB ALA 74 -6.431 0.112 6.528 584 HB3 ALA 74 3HB ALA 74 -6.516 1.195 7.929 585 H GLN 75 H GLN 75 -7.584 -0.469 10.516 586 HA GLN 75 HA GLN 75 -10.130 -0.959 9.245 587 HB2 GLN 75 2HB GLN 75 -10.566 -2.792 11.163 588 HB3 GLN 75 3HB GLN 75 -10.058 -3.169 9.537 589 HG2 GLN 75 2HG GLN 75 -7.654 -3.329 10.340 590 HG3 GLN 75 3HG GLN 75 -8.237 -3.153 11.987 591 HE21 GLN 75 1HE2 GLN 75 -7.179 -5.386 9.900 592 HE22 GLN 75 2HE2 GLN 75 -8.192 -6.765 10.220 593 H GLU 76 H GLU 76 -11.071 0.772 9.906 594 HA GLU 76 HA GLU 76 -11.416 1.369 12.811 595 HB2 GLU 76 2HB GLU 76 -10.400 3.361 10.734 596 HB3 GLU 76 3HB GLU 76 -10.814 3.720 12.398 597 HG2 GLU 76 2HG GLU 76 -9.015 2.238 13.211 598 HG3 GLU 76 3HG GLU 76 -8.592 1.803 11.565 599 H TYR 77 H TYR 77 -12.448 1.758 9.429 600 HA TYR 77 HA TYR 77 -14.883 3.251 10.290 601 HB2 TYR 77 2HB TYR 77 -13.857 2.654 7.491 602 HB3 TYR 77 3HB TYR 77 -15.196 3.681 7.917 603 HD1 TYR 77 1HD TYR 77 -11.477 3.320 8.199 604 HD2 TYR 77 2HD TYR 77 -14.883 5.988 8.389 605 HE1 TYR 77 1HE TYR 77 -9.963 5.245 8.328 606 HE2 TYR 77 2HE TYR 77 -13.367 7.917 8.314 607 HH TYR 77 HH TYR 77 -10.639 8.225 7.500 608 H ARG 78 H ARG 78 -16.804 2.542 8.744 609 HA ARG 78 HA ARG 78 -17.105 -0.412 9.004 610 HB2 ARG 78 2HB ARG 78 -18.531 1.350 10.286 611 HB3 ARG 78 3HB ARG 78 -19.333 1.619 8.730 612 HG2 ARG 78 2HG ARG 78 -19.988 -0.769 8.658 613 HG3 ARG 78 3HG ARG 78 -19.066 -1.078 10.144 614 HD2 ARG 78 2HD ARG 78 -20.504 0.477 11.380 615 HD3 ARG 78 3HD ARG 78 -21.383 0.869 9.887 616 HE ARG 78 HE ARG 78 -21.545 -1.860 10.018 617 HH11 ARG 78 1HH1 ARG 78 -22.601 0.724 12.179 618 HH12 ARG 78 2HH1 ARG 78 -23.914 -0.188 12.845 619 HH21 ARG 78 1HH2 ARG 78 -23.170 -3.003 10.759 620 HH22 ARG 78 2HH2 ARG 78 -24.259 -2.476 12.019 621 H SER 79 H SER 79 -15.986 1.491 6.668 622 HA SER 79 HA SER 79 -17.586 0.214 4.531 623 HB2 SER 79 2HB SER 79 -16.422 3.019 4.475 624 HB3 SER 79 3HB SER 79 -17.489 2.257 3.273 625 HG SER 79 HG SER 79 -18.064 3.153 5.915 626 H GLN 80 H GLN 80 -16.328 -0.998 3.289 627 HA GLN 80 HA GLN 80 -13.556 -1.401 3.717 628 HB2 GLN 80 2HB GLN 80 -15.531 -2.869 2.686 629 HB3 GLN 80 3HB GLN 80 -14.944 -2.241 1.156 630 HG2 GLN 80 2HG GLN 80 -13.020 -3.485 1.239 631 HG3 GLN 80 3HG GLN 80 -12.897 -3.387 3.016 632 HE21 GLN 80 1HE2 GLN 80 -12.757 -5.460 3.669 633 HE22 GLN 80 2HE2 GLN 80 -14.039 -6.655 3.425 634 H GLU 81 H GLU 81 -14.971 1.189 2.181 635 HA GLU 81 HA GLU 81 -12.928 1.630 0.101 636 HB2 GLU 81 2HB GLU 81 -15.416 1.926 -0.235 637 HB3 GLU 81 3HB GLU 81 -15.354 3.320 0.846 638 HG2 GLU 81 2HG GLU 81 -13.953 4.562 -0.639 639 HG3 GLU 81 3HG GLU 81 -13.476 3.115 -1.535 640 H LEU 82 H LEU 82 -13.688 2.580 3.399 641 HA LEU 82 HA LEU 82 -12.003 5.026 3.191 642 HB2 LEU 82 2HB LEU 82 -13.569 3.891 5.519 643 HB3 LEU 82 3HB LEU 82 -12.757 5.462 5.466 644 HG LEU 82 HG LEU 82 -15.143 4.591 3.805 645 HD11 LEU 82 1HD1 LEU 82 -16.369 6.309 5.031 646 HD12 LEU 82 2HD1 LEU 82 -14.907 6.706 5.948 647 HD13 LEU 82 3HD1 LEU 82 -15.668 5.101 6.117 648 HD21 LEU 82 3HD2 LEU 82 -13.859 6.024 2.361 649 HD22 LEU 82 1HD2 LEU 82 -13.623 7.204 3.666 650 HD23 LEU 82 2HD2 LEU 82 -15.234 6.939 2.978 651 H ASN 83 H ASN 83 -11.941 1.725 4.576 652 HA ASN 83 HA ASN 83 -9.693 2.141 6.254 653 HB2 ASN 83 2HB ASN 83 -10.597 -0.400 4.837 654 HB3 ASN 83 3HB ASN 83 -9.464 -0.297 6.182 655 HD21 ASN 83 1HD2 ASN 83 -10.895 -1.734 7.456 656 HD22 ASN 83 2HD2 ASN 83 -12.545 -1.282 7.831 657 H ARG 84 H ARG 84 -9.977 1.340 2.797 658 HA ARG 84 HA ARG 84 -7.298 0.603 2.273 659 HB2 ARG 84 2HB ARG 84 -7.787 1.451 -0.077 660 HB3 ARG 84 3HB ARG 84 -8.771 0.122 0.497 661 HG2 ARG 84 2HG ARG 84 -10.694 1.362 0.693 662 HG3 ARG 84 3HG ARG 84 -9.821 2.869 0.959 663 HD2 ARG 84 2HD ARG 84 -10.840 3.060 -1.116 664 HD3 ARG 84 3HD ARG 84 -9.085 2.878 -1.357 665 HE ARG 84 HE ARG 84 -9.585 0.473 -1.937 666 HH11 ARG 84 1HH1 ARG 84 -11.638 3.198 -2.974 667 HH12 ARG 84 2HH1 ARG 84 -12.440 2.265 -4.191 668 HH21 ARG 84 1HH2 ARG 84 -10.494 -0.649 -3.651 669 HH22 ARG 84 2HH2 ARG 84 -11.763 0.026 -4.587 670 H GLU 85 H GLU 85 -8.668 3.906 2.512 671 HA GLU 85 HA GLU 85 -6.085 4.990 1.654 672 HB2 GLU 85 2HB GLU 85 -7.150 7.144 1.902 673 HB3 GLU 85 3HB GLU 85 -8.003 6.021 0.816 674 HG2 GLU 85 2HG GLU 85 -9.730 5.620 2.446 675 HG3 GLU 85 3HG GLU 85 -8.807 6.523 3.678 676 H ALA 86 H ALA 86 -7.439 4.004 4.621 677 HA ALA 86 HA ALA 86 -5.890 5.887 6.268 678 HB1 ALA 86 1HB ALA 86 -7.259 3.268 6.974 679 HB2 ALA 86 2HB ALA 86 -6.651 4.474 8.136 680 HB3 ALA 86 3HB ALA 86 -8.009 4.882 7.060 681 H ALA 87 H ALA 87 -5.398 2.825 4.726 682 HA ALA 87 HA ALA 87 -3.186 1.831 6.255 683 HB1 ALA 87 1HB ALA 87 -4.719 0.447 4.820 684 HB2 ALA 87 2HB ALA 87 -4.010 1.199 3.380 685 HB3 ALA 87 3HB ALA 87 -3.002 0.201 4.447 686 H LEU 88 H LEU 88 -3.426 3.832 3.301 687 HA LEU 88 HA LEU 88 -0.693 3.655 2.553 688 HB2 LEU 88 2HB LEU 88 -1.075 5.408 1.051 689 HB3 LEU 88 3HB LEU 88 -2.564 4.480 1.174 690 HG LEU 88 HG LEU 88 -3.155 6.385 2.955 691 HD11 LEU 88 1HD1 LEU 88 -1.034 7.646 2.662 692 HD12 LEU 88 2HD1 LEU 88 -2.467 8.581 2.218 693 HD13 LEU 88 3HD1 LEU 88 -1.426 7.871 0.952 694 HD21 LEU 88 3HD2 LEU 88 -4.534 7.366 1.250 695 HD22 LEU 88 1HD2 LEU 88 -4.354 5.668 0.822 696 HD23 LEU 88 2HD2 LEU 88 -3.394 6.846 -0.042 697 H ALA 89 H ALA 89 -2.348 5.704 4.911 698 HA ALA 89 HA ALA 89 -0.209 7.527 5.370 699 HB1 ALA 89 1HB ALA 89 -1.360 8.017 7.483 700 HB2 ALA 89 2HB ALA 89 -2.523 7.903 6.149 701 HB3 ALA 89 3HB ALA 89 -2.356 6.559 7.307 702 H ARG 90 H ARG 90 -1.050 4.396 6.949 703 HA ARG 90 HA ARG 90 1.100 4.355 8.766 704 HB2 ARG 90 2HB ARG 90 -0.515 2.126 7.477 705 HB3 ARG 90 3HB ARG 90 0.631 1.858 8.798 706 HG2 ARG 90 2HG ARG 90 -0.626 3.262 10.292 707 HG3 ARG 90 3HG ARG 90 -1.719 3.797 8.999 708 HD2 ARG 90 2HD ARG 90 -2.726 1.661 8.781 709 HD3 ARG 90 3HD ARG 90 -1.477 0.880 9.752 710 HE ARG 90 HE ARG 90 -3.624 2.731 10.714 711 HH11 ARG 90 1HH1 ARG 90 -1.182 0.270 11.606 712 HH12 ARG 90 2HH1 ARG 90 -1.488 0.455 13.303 713 HH21 ARG 90 1HH2 ARG 90 -3.889 3.039 12.914 714 HH22 ARG 90 2HH2 ARG 90 -3.041 2.052 14.053 715 H LEU 91 H LEU 91 0.893 3.341 5.374 716 HA LEU 91 HA LEU 91 3.403 1.949 5.250 717 HB2 LEU 91 2HB LEU 91 1.695 1.686 3.476 718 HB3 LEU 91 3HB LEU 91 1.795 3.390 3.090 719 HG LEU 91 HG LEU 91 4.100 3.142 2.319 720 HD11 LEU 91 1HD1 LEU 91 4.927 1.276 3.659 721 HD12 LEU 91 2HD1 LEU 91 5.051 0.859 1.954 722 HD13 LEU 91 3HD1 LEU 91 3.730 0.173 2.920 723 HD21 LEU 91 3HD2 LEU 91 3.622 1.910 0.264 724 HD22 LEU 91 1HD2 LEU 91 2.248 2.921 0.736 725 HD23 LEU 91 2HD2 LEU 91 2.197 1.171 1.021 726 H VAL 92 H VAL 92 2.457 5.249 4.385 727 HA VAL 92 HA VAL 92 5.005 6.240 3.716 728 HB VAL 92 HB VAL 92 2.653 7.697 5.023 729 HG11 VAL 92 1HG1 VAL 92 3.753 9.781 3.980 730 HG12 VAL 92 2HG1 VAL 92 4.493 9.157 5.458 731 HG13 VAL 92 3HG1 VAL 92 5.235 8.823 3.880 732 HG21 VAL 92 3HG2 VAL 92 2.084 8.397 2.818 733 HG22 VAL 92 1HG2 VAL 92 3.630 7.798 2.181 734 HG23 VAL 92 2HG2 VAL 92 2.385 6.656 2.704 735 H ALA 93 H ALA 93 3.391 6.030 6.901 736 HA ALA 93 HA ALA 93 5.188 7.514 8.456 737 HB1 ALA 93 1HB ALA 93 3.977 6.564 10.331 738 HB2 ALA 93 2HB ALA 93 2.828 6.765 8.998 739 HB3 ALA 93 3HB ALA 93 3.470 5.161 9.381 740 H MET 94 H MET 94 4.999 3.948 8.093 741 HA MET 94 HA MET 94 7.366 3.477 9.710 742 HB2 MET 94 2HB MET 94 7.279 1.192 8.815 743 HB3 MET 94 3HB MET 94 5.712 1.736 9.427 744 HG2 MET 94 2HG MET 94 5.129 2.329 7.013 745 HG3 MET 94 3HG MET 94 6.549 1.466 6.523 746 HE1 MET 94 3HE MET 94 6.860 -1.135 7.488 747 HE2 MET 94 1HE MET 94 6.018 -0.990 9.046 748 HE3 MET 94 2HE MET 94 5.480 -2.193 7.856 749 H ILE 95 H ILE 95 6.836 4.071 6.179 750 HA ILE 95 HA ILE 95 9.430 3.418 5.357 751 HB ILE 95 HB ILE 95 7.300 5.292 4.361 752 HG12 ILE 95 2HG1 ILE 95 8.734 2.984 2.997 753 HG13 ILE 95 3HG1 ILE 95 7.358 2.744 4.078 754 HG21 ILE 95 1HG2 ILE 95 9.245 6.612 3.813 755 HG22 ILE 95 2HG2 ILE 95 10.099 5.192 3.186 756 HG23 ILE 95 3HG2 ILE 95 8.677 5.839 2.348 757 HD11 ILE 95 3HD1 ILE 95 5.990 4.272 2.635 758 HD12 ILE 95 1HD1 ILE 95 7.338 4.328 1.494 759 HD13 ILE 95 2HD1 ILE 95 6.547 2.787 1.821 760 H LYS 96 H LYS 96 8.111 6.476 6.714 761 HA LYS 96 HA LYS 96 10.629 7.932 6.693 762 HB2 LYS 96 2HB LYS 96 7.866 8.364 7.973 763 HB3 LYS 96 3HB LYS 96 9.182 9.515 8.175 764 HG2 LYS 96 2HG LYS 96 9.334 9.896 5.780 765 HG3 LYS 96 3HG LYS 96 8.055 8.711 5.462 766 HD2 LYS 96 2HD LYS 96 6.420 10.062 6.690 767 HD3 LYS 96 3HD LYS 96 7.686 11.175 7.218 768 HE2 LYS 96 2HE LYS 96 8.169 11.442 4.630 769 HE3 LYS 96 3HE LYS 96 6.564 10.726 4.428 770 HZ1 LYS 96 3HZ LYS 96 7.276 13.323 5.635 771 HZ2 LYS 96 1HZ LYS 96 5.846 12.658 5.982 772 HZ3 LYS 96 2HZ LYS 96 6.257 13.024 4.413 773 H GLU 97 H GLU 97 10.117 5.318 8.444 774 HA GLU 97 HA GLU 97 11.719 6.375 10.730 775 HB2 GLU 97 2HB GLU 97 9.406 4.411 10.666 776 HB3 GLU 97 3HB GLU 97 10.661 4.276 11.891 777 HG2 GLU 97 2HG GLU 97 10.293 6.714 12.475 778 HG3 GLU 97 3HG GLU 97 8.910 6.721 11.364 779 H LEU 98 H LEU 98 11.142 3.816 8.350 780 HA LEU 98 HA LEU 98 13.443 2.214 9.144 781 HB2 LEU 98 2HB LEU 98 11.717 2.216 6.629 782 HB3 LEU 98 3HB LEU 98 12.901 0.975 7.032 783 HG LEU 98 HG LEU 98 10.544 1.652 8.827 784 HD11 LEU 98 1HD1 LEU 98 10.712 -0.472 6.683 785 HD12 LEU 98 2HD1 LEU 98 9.665 0.957 6.689 786 HD13 LEU 98 3HD1 LEU 98 9.419 -0.308 7.904 787 HD21 LEU 98 3HD2 LEU 98 11.069 -0.822 9.559 788 HD22 LEU 98 1HD2 LEU 98 11.960 0.564 10.207 789 HD23 LEU 98 2HD2 LEU 98 12.685 -0.422 8.932 790 H THR 99 H THR 99 12.822 4.711 6.693 791 HA THR 99 HA THR 99 15.405 4.268 5.331 792 HB THR 99 HB THR 99 14.881 6.525 4.264 793 HG1 THR 99 1HG THR 99 12.312 6.158 5.443 794 HG21 THR 99 3HG2 THR 99 12.788 4.335 3.985 795 HG22 THR 99 1HG2 THR 99 14.369 4.419 3.163 796 HG23 THR 99 2HG2 THR 99 13.137 5.648 2.821 797 H THR 100 H THR 100 14.503 5.914 8.224 798 HA THR 100 HA THR 100 17.152 7.209 8.417 799 HB THR 100 HB THR 100 15.355 8.751 7.775 800 HG1 THR 100 1HG THR 100 16.907 9.683 9.115 801 HG21 THR 100 3HG2 THR 100 13.948 7.995 10.356 802 HG22 THR 100 1HG2 THR 100 13.410 7.608 8.713 803 HG23 THR 100 2HG2 THR 100 13.484 9.282 9.224 804 H GLU 101 H GLU 101 16.481 8.075 11.094 805 HA GLU 101 HA GLU 101 16.480 5.482 12.602 806 HB2 GLU 101 2HB GLU 101 18.597 7.223 12.533 807 HB3 GLU 101 3HB GLU 101 17.652 7.990 13.781 808 HG2 GLU 101 2HG GLU 101 19.011 6.642 15.032 809 HG3 GLU 101 3HG GLU 101 17.577 5.628 14.889 810 H LYS 102 H LYS 102 14.962 5.430 14.265 811 HA LYS 102 HA LYS 102 12.758 7.259 14.240 812 HB2 LYS 102 2HB LYS 102 12.562 4.878 14.853 813 HB3 LYS 102 3HB LYS 102 13.669 5.127 16.217 814 HG2 LYS 102 2HG LYS 102 11.995 6.695 17.239 815 HG3 LYS 102 3HG LYS 102 10.863 6.310 15.941 816 HD2 LYS 102 2HD LYS 102 12.160 4.224 17.744 817 HD3 LYS 102 3HD LYS 102 10.682 5.045 18.199 818 HE2 LYS 102 2HE LYS 102 10.968 3.421 15.635 819 HE3 LYS 102 3HE LYS 102 10.411 2.752 17.171 820 HZ1 LYS 102 3HZ LYS 102 8.581 4.313 17.157 821 HZ2 LYS 102 1HZ LYS 102 8.567 3.363 15.813 822 HZ3 LYS 102 2HZ LYS 102 9.064 4.910 15.684 823 H LYS 103 H LYS 103 12.432 9.123 15.425 824 HA LYS 103 HA LYS 103 14.686 10.121 17.055 825 HB2 LYS 103 2HB LYS 103 12.062 11.274 16.046 826 HB3 LYS 103 3HB LYS 103 12.797 11.971 17.482 827 HG2 LYS 103 2HG LYS 103 13.551 13.272 15.671 828 HG3 LYS 103 3HG LYS 103 14.920 12.327 16.269 829 HD2 LYS 103 2HD LYS 103 14.639 10.742 14.344 830 HD3 LYS 103 3HD LYS 103 13.235 11.680 13.811 831 HE2 LYS 103 2HE LYS 103 14.993 12.508 12.481 832 HE3 LYS 103 3HE LYS 103 14.777 13.718 13.749 833 HZ1 LYS 103 3HZ LYS 103 16.690 12.611 14.906 834 HZ2 LYS 103 1HZ LYS 103 17.072 13.289 13.460 835 HZ3 LYS 103 2HZ LYS 103 16.885 11.667 13.548 836 H ALA 104 H ALA 104 14.734 10.219 19.244 837 HA ALA 104 HA ALA 104 13.084 8.514 20.806 838 HB1 ALA 104 1HB ALA 104 15.439 9.069 21.337 839 HB2 ALA 104 2HB ALA 104 14.967 10.752 21.679 840 HB3 ALA 104 3HB ALA 104 14.359 9.433 22.693 841 H ARG 105 H ARG 105 12.556 11.756 19.796 842 HA ARG 105 HA ARG 105 11.157 13.445 20.400 843 HB2 ARG 105 2HB ARG 105 9.745 11.605 19.307 844 HB3 ARG 105 3HB ARG 105 9.242 11.131 20.924 845 HG2 ARG 105 2HG ARG 105 7.488 12.480 20.054 846 HG3 ARG 105 3HG ARG 105 8.311 13.513 21.210 847 HD2 ARG 105 2HD ARG 105 9.656 14.419 19.233 848 HD3 ARG 105 3HD ARG 105 8.559 13.567 18.178 849 HE ARG 105 HE ARG 105 6.730 14.906 18.937 850 HH11 ARG 105 1HH1 ARG 105 9.936 16.136 19.900 851 HH12 ARG 105 2HH1 ARG 105 9.328 17.512 20.761 852 HH21 ARG 105 1HH2 ARG 105 6.008 17.072 19.510 853 HH22 ARG 105 2HH2 ARG 105 7.114 18.181 20.238 854 H ARG 106 H ARG 106 12.850 13.207 22.529 855 HA ARG 106 HA ARG 106 11.424 12.599 24.927 856 HB2 ARG 106 2HB ARG 106 13.285 13.094 26.114 857 HB3 ARG 106 3HB ARG 106 14.007 12.757 24.545 858 HG2 ARG 106 2HG ARG 106 14.093 15.261 24.136 859 HG3 ARG 106 3HG ARG 106 13.430 15.476 25.770 860 HD2 ARG 106 2HD ARG 106 15.424 14.152 26.646 861 HD3 ARG 106 3HD ARG 106 16.108 14.325 25.017 862 HE ARG 106 HE ARG 106 15.199 16.821 26.196 863 HH11 ARG 106 1HH1 ARG 106 18.008 14.650 25.867 864 HH12 ARG 106 2HH1 ARG 106 19.166 15.863 26.287 865 HH21 ARG 106 1HH2 ARG 106 16.704 18.382 26.940 866 HH22 ARG 106 2HH2 ARG 106 18.390 17.986 27.023 867 HA PRO 107 HA PRO 107 8.891 16.279 25.175 868 HB2 PRO 107 2HB PRO 107 8.232 16.279 27.848 869 HB3 PRO 107 3HB PRO 107 7.554 15.104 26.671 870 HG2 PRO 107 2HG PRO 107 9.914 14.742 28.529 871 HG3 PRO 107 3HG PRO 107 8.510 13.644 28.305 872 HD2 PRO 107 2HD PRO 107 10.843 13.196 26.998 873 HD3 PRO 107 3HD PRO 107 9.287 12.970 26.156 874 H THR 108 H THR 108 8.804 18.432 26.548 875 HA THR 108 HA THR 108 11.457 19.064 27.710 876 HB THR 108 HB THR 108 11.424 19.357 25.241 877 HG1 THR 108 1HG THR 108 12.681 20.964 25.316 878 HG21 THR 108 3HG2 THR 108 9.421 21.537 25.819 879 HG22 THR 108 1HG2 THR 108 9.243 20.146 24.726 880 HG23 THR 108 2HG2 THR 108 10.362 21.446 24.325 881 H ARG 109 H ARG 109 8.151 19.289 28.111 882 HA ARG 109 HA ARG 109 6.733 20.800 29.170 883 HB2 ARG 109 2HB ARG 109 8.731 19.693 31.106 884 HB3 ARG 109 3HB ARG 109 7.630 20.915 31.684 885 HG2 ARG 109 2HG ARG 109 6.714 18.866 32.236 886 HG3 ARG 109 3HG ARG 109 5.672 19.611 31.035 887 HD2 ARG 109 2HD ARG 109 7.720 17.499 30.265 888 HD3 ARG 109 3HD ARG 109 6.169 17.056 30.995 889 HE ARG 109 HE ARG 109 5.780 18.854 28.776 890 HH11 ARG 109 1HH1 ARG 109 5.898 15.418 29.697 891 HH12 ARG 109 2HH1 ARG 109 5.258 14.868 28.189 892 HH21 ARG 109 1HH2 ARG 109 5.285 18.151 26.758 893 HH22 ARG 109 2HH2 ARG 109 5.048 16.480 26.377 894 H SER 110 H SER 110 7.287 22.642 27.764 895 HA SER 110 HA SER 110 8.980 24.712 28.911 896 HB2 SER 110 2HB SER 110 7.076 25.002 26.585 897 HB3 SER 110 3HB SER 110 8.587 25.881 26.887 898 HG SER 110 HG SER 110 9.750 24.076 26.319 899 H GLY 111 H GLY 111 6.127 23.700 30.012 900 HA2 GLY 111 2HA GLY 111 4.268 24.509 31.007 901 HA3 GLY 111 3HA GLY 111 5.385 25.728 31.631 902 HA PRO 112 HA PRO 112 3.200 27.999 28.077 903 HB2 PRO 112 2HB PRO 112 1.483 26.776 26.360 904 HB3 PRO 112 3HB PRO 112 3.240 26.674 26.154 905 HG2 PRO 112 2HG PRO 112 1.385 24.635 27.423 906 HG3 PRO 112 3HG PRO 112 2.695 24.346 26.230 907 HD2 PRO 112 2HD PRO 112 2.978 24.037 28.973 908 HD3 PRO 112 3HD PRO 112 4.342 24.466 27.902 909 H SER 113 H SER 113 1.007 28.986 27.831 910 HA SER 113 HA SER 113 -0.519 29.054 30.118 911 HB2 SER 113 2HB SER 113 -0.547 30.740 28.283 912 HB3 SER 113 3HB SER 113 -1.484 29.608 27.278 913 HG SER 113 HG SER 113 -2.177 31.080 29.562 914 H SER 114 H SER 114 -1.750 27.555 31.044 915 HA SER 114 HA SER 114 -3.356 25.661 29.411 916 HB2 SER 114 2HB SER 114 -1.540 24.800 31.706 917 HB3 SER 114 3HB SER 114 -2.603 23.761 30.744 918 HG SER 114 HG SER 114 -0.346 25.219 29.794 919 H GLY 115 H GLY 115 -3.605 28.091 31.563 920 HA2 GLY 115 2HA GLY 115 -6.153 27.599 32.435 921 HA3 GLY 115 3HA GLY 115 -5.132 26.872 33.694 922 H GLU 116 H GLU 116 -6.224 29.871 32.229 923 HA GLU 116 HA GLU 116 -4.933 31.432 34.374 924 HB2 GLU 116 2HB GLU 116 -4.904 32.063 31.399 925 HB3 GLU 116 3HB GLU 116 -4.614 33.273 32.656 926 HG2 GLU 116 2HG GLU 116 -2.744 31.895 33.559 927 HG3 GLU 116 3HG GLU 116 -2.972 30.734 32.240 928 H ASN 117 H ASN 117 -6.152 33.883 33.950 929 HA ASN 117 HA ASN 117 -9.005 33.426 33.516 930 HB2 ASN 117 2HB ASN 117 -9.742 34.040 35.667 931 HB3 ASN 117 3HB ASN 117 -8.485 32.857 35.992 932 HD21 ASN 117 1HD2 ASN 117 -6.214 33.867 36.494 933 HD22 ASN 117 2HD2 ASN 117 -6.243 35.416 37.324 934 H LEU 118 H LEU 118 -10.207 35.603 33.896 935 HA LEU 118 HA LEU 118 -8.534 37.907 33.088 936 HB2 LEU 118 2HB LEU 118 -9.896 36.878 31.249 937 HB3 LEU 118 3HB LEU 118 -11.349 37.159 32.199 938 HG LEU 118 HG LEU 118 -11.076 38.756 30.419 939 HD11 LEU 118 1HD1 LEU 118 -10.658 40.326 32.979 940 HD12 LEU 118 2HD1 LEU 118 -12.181 39.515 32.550 941 HD13 LEU 118 3HD1 LEU 118 -11.535 40.809 31.527 942 HD21 LEU 118 3HD2 LEU 118 -8.541 39.766 31.766 943 HD22 LEU 118 1HD2 LEU 118 -9.303 40.406 30.300 944 HD23 LEU 118 2HD2 LEU 118 -8.602 38.777 30.290 945 H TYR 119 H TYR 119 -8.476 39.079 34.892 946 HA TYR 119 HA TYR 119 -10.452 38.872 36.987 947 HB2 TYR 119 2HB TYR 119 -7.931 39.400 37.142 948 HB3 TYR 119 3HB TYR 119 -8.387 41.072 36.851 949 HD1 TYR 119 2HD TYR 119 -10.374 41.974 38.442 950 HD2 TYR 119 1HD TYR 119 -7.958 38.501 39.284 951 HE1 TYR 119 2HE TYR 119 -11.009 42.128 40.803 952 HE2 TYR 119 1HE TYR 119 -8.568 38.653 41.671 953 HH TYR 119 HH TYR 119 -9.763 39.832 43.275 954 H PHE 120 H PHE 120 -12.402 39.719 36.770 955 HA PHE 120 HA PHE 120 -13.196 41.698 34.913 956 HB2 PHE 120 2HB PHE 120 -14.634 39.812 35.620 957 HB3 PHE 120 3HB PHE 120 -14.615 40.405 37.281 958 HD1 PHE 120 2HD PHE 120 -15.654 41.276 33.783 959 HD2 PHE 120 1HD PHE 120 -16.122 42.147 37.984 960 HE1 PHE 120 2HE PHE 120 -17.563 42.772 33.264 961 HE2 PHE 120 1HE PHE 120 -18.038 43.628 37.458 962 HZ PHE 120 HZ PHE 120 -18.755 43.952 35.100 963 H GLN 121 H GLN 121 -13.041 43.622 35.164 964 HA GLN 121 HA GLN 121 -12.973 45.220 37.659 965 HB2 GLN 121 2HB GLN 121 -11.085 45.424 35.259 966 HB3 GLN 121 3HB GLN 121 -11.214 46.651 36.507 967 HG2 GLN 121 2HG GLN 121 -10.123 45.355 38.126 968 HG3 GLN 121 3HG GLN 121 -10.522 43.831 37.327 969 HE21 GLN 121 1HE2 GLN 121 -9.421 43.245 35.326 970 HE22 GLN 121 2HE2 GLN 121 -7.813 43.922 35.011 Start of MODEL 9 1 H1 MET 1 H MET 1 -1.070 8.644 -4.041 2 HA MET 1 HA MET 1 0.707 9.063 -5.593 3 HB2 MET 1 2HB MET 1 0.776 11.871 -4.434 4 HB3 MET 1 3HB MET 1 1.942 11.206 -5.534 5 HG2 MET 1 2HG MET 1 -0.692 10.805 -6.676 6 HG3 MET 1 3HG MET 1 -0.496 12.488 -6.185 7 HE1 MET 1 3HE MET 1 2.404 10.331 -9.102 8 HE2 MET 1 1HE MET 1 2.370 9.976 -7.366 9 HE3 MET 1 2HE MET 1 0.982 9.540 -8.405 10 H ILE 2 H ILE 2 0.299 9.135 -2.138 11 HA ILE 2 HA ILE 2 1.761 8.899 -0.407 12 HB ILE 2 HB ILE 2 2.787 6.786 -2.318 13 HG12 ILE 2 2HG1 ILE 2 0.271 6.730 -0.597 14 HG13 ILE 2 3HG1 ILE 2 0.298 6.828 -2.343 15 HG21 ILE 2 1HG2 ILE 2 3.238 5.432 -0.371 16 HG22 ILE 2 2HG2 ILE 2 3.902 7.010 -0.011 17 HG23 ILE 2 3HG2 ILE 2 2.340 6.543 0.666 18 HD11 ILE 2 3HD1 ILE 2 -0.272 4.568 -1.358 19 HD12 ILE 2 1HD1 ILE 2 1.012 4.560 -2.582 20 HD13 ILE 2 2HD1 ILE 2 1.401 4.401 -0.863 21 H VAL 3 H VAL 3 2.678 11.092 -1.447 22 HA VAL 3 HA VAL 3 5.416 10.905 -2.434 23 HB VAL 3 HB VAL 3 3.910 13.313 -1.508 24 HG11 VAL 3 1HG1 VAL 3 5.459 14.696 -2.789 25 HG12 VAL 3 2HG1 VAL 3 6.322 13.752 -1.563 26 HG13 VAL 3 3HG1 VAL 3 6.368 13.242 -3.254 27 HG21 VAL 3 3HG2 VAL 3 4.194 12.832 -4.416 28 HG22 VAL 3 1HG2 VAL 3 2.855 12.132 -3.491 29 HG23 VAL 3 2HG2 VAL 3 3.100 13.882 -3.537 30 H ILE 4 H ILE 4 6.686 9.931 -1.143 31 HA ILE 4 HA ILE 4 6.795 10.428 1.725 32 HB ILE 4 HB ILE 4 8.726 8.915 -0.061 33 HG12 ILE 4 2HG1 ILE 4 6.605 7.837 -0.364 34 HG13 ILE 4 3HG1 ILE 4 7.591 6.850 0.667 35 HG21 ILE 4 1HG2 ILE 4 8.366 8.899 2.943 36 HG22 ILE 4 2HG2 ILE 4 9.274 7.669 2.050 37 HG23 ILE 4 3HG2 ILE 4 9.815 9.341 2.025 38 HD11 ILE 4 3HD1 ILE 4 6.368 7.808 2.682 39 HD12 ILE 4 1HD1 ILE 4 5.264 8.588 1.511 40 HD13 ILE 4 2HD1 ILE 4 5.405 6.817 1.589 41 H SER 5 H SER 5 8.702 11.375 -1.176 42 HA SER 5 HA SER 5 10.074 13.414 0.478 43 HB2 SER 5 2HB SER 5 11.351 11.223 0.542 44 HB3 SER 5 3HB SER 5 11.590 11.383 -1.205 45 HG SER 5 HG SER 5 12.489 13.064 0.900 46 H ARG 6 H ARG 6 12.011 13.991 -1.531 47 HA ARG 6 HA ARG 6 10.369 15.676 -3.287 48 HB2 ARG 6 2HB ARG 6 12.393 16.493 -2.059 49 HB3 ARG 6 3HB ARG 6 13.408 15.476 -3.085 50 HG2 ARG 6 2HG ARG 6 12.621 16.721 -5.085 51 HG3 ARG 6 3HG ARG 6 11.509 17.642 -4.062 52 HD2 ARG 6 2HD ARG 6 13.560 18.535 -2.841 53 HD3 ARG 6 3HD ARG 6 14.547 17.750 -4.071 54 HE ARG 6 HE ARG 6 13.953 19.304 -5.628 55 HH11 ARG 6 1HH1 ARG 6 12.065 19.987 -2.737 56 HH12 ARG 6 2HH1 ARG 6 11.048 21.183 -3.484 57 HH21 ARG 6 1HH2 ARG 6 12.706 21.025 -6.583 58 HH22 ARG 6 2HH2 ARG 6 11.276 21.606 -5.758 59 H HIS 7 H HIS 7 12.032 12.594 -3.617 60 HA HIS 7 HA HIS 7 11.336 12.498 -6.505 61 HB2 HIS 7 2HB HIS 7 13.944 11.443 -5.328 62 HB3 HIS 7 3HB HIS 7 13.459 11.440 -7.020 63 HD1 HIS 7 1HD HIS 7 14.266 13.529 -8.416 64 HD2 HIS 7 2HD HIS 7 14.521 13.892 -4.223 65 HE1 HIS 7 1HE HIS 7 15.463 15.732 -7.934 66 H VAL 8 H VAL 8 9.891 11.520 -4.174 67 HA VAL 8 HA VAL 8 9.842 8.652 -4.743 68 HB VAL 8 HB VAL 8 10.184 9.715 -1.900 69 HG11 VAL 8 1HG1 VAL 8 8.762 7.742 -2.017 70 HG12 VAL 8 2HG1 VAL 8 10.001 6.883 -2.966 71 HG13 VAL 8 3HG1 VAL 8 10.310 7.335 -1.270 72 HG21 VAL 8 3HG2 VAL 8 12.170 8.153 -3.567 73 HG22 VAL 8 1HG2 VAL 8 12.384 9.799 -2.924 74 HG23 VAL 8 2HG2 VAL 8 12.300 8.430 -1.818 75 H ALA 9 H ALA 9 7.738 8.567 -5.384 76 HA ALA 9 HA ALA 9 5.576 9.201 -3.598 77 HB1 ALA 9 1HB ALA 9 4.428 10.717 -5.205 78 HB2 ALA 9 2HB ALA 9 5.834 11.410 -4.413 79 HB3 ALA 9 3HB ALA 9 5.969 10.831 -6.098 80 H ILE 10 H ILE 10 4.662 7.286 -3.685 81 HA ILE 10 HA ILE 10 4.783 5.530 -5.966 82 HB ILE 10 HB ILE 10 2.940 5.069 -3.577 83 HG12 ILE 10 2HG1 ILE 10 5.893 4.401 -3.865 84 HG13 ILE 10 3HG1 ILE 10 5.189 5.525 -2.675 85 HG21 ILE 10 1HG2 ILE 10 3.148 2.763 -4.193 86 HG22 ILE 10 2HG2 ILE 10 2.703 3.650 -5.642 87 HG23 ILE 10 3HG2 ILE 10 4.390 3.138 -5.392 88 HD11 ILE 10 3HD1 ILE 10 4.015 3.600 -1.622 89 HD12 ILE 10 1HD1 ILE 10 4.848 2.530 -2.770 90 HD13 ILE 10 2HD1 ILE 10 5.797 3.457 -1.616 91 HA PRO 11 HA PRO 11 1.172 7.500 -7.797 92 HB2 PRO 11 2HB PRO 11 1.024 6.177 -10.154 93 HB3 PRO 11 3HB PRO 11 2.366 7.279 -9.755 94 HG2 PRO 11 2HG PRO 11 2.298 4.257 -9.430 95 HG3 PRO 11 3HG PRO 11 3.519 5.239 -10.308 96 HD2 PRO 11 2HD PRO 11 3.905 4.492 -7.727 97 HD3 PRO 11 3HD PRO 11 4.413 6.098 -8.299 98 H ASP 12 H ASP 12 0.808 5.237 -5.850 99 HA ASP 12 HA ASP 12 -0.807 3.936 -4.960 100 HB2 ASP 12 2HB ASP 12 -2.497 5.694 -6.762 101 HB3 ASP 12 3HB ASP 12 -3.213 4.423 -5.810 102 H GLY 13 H GLY 13 -0.052 3.401 -8.252 103 HA2 GLY 13 2HA GLY 13 -1.910 1.131 -8.589 104 HA3 GLY 13 3HA GLY 13 -0.846 1.845 -9.787 105 H GLU 14 H GLU 14 1.341 1.707 -7.541 106 HA GLU 14 HA GLU 14 2.606 -0.706 -8.453 107 HB2 GLU 14 2HB GLU 14 3.090 1.255 -6.204 108 HB3 GLU 14 3HB GLU 14 4.293 0.053 -6.688 109 HG2 GLU 14 2HG GLU 14 3.271 2.294 -8.492 110 HG3 GLU 14 3HG GLU 14 4.675 2.426 -7.440 111 H LEU 15 H LEU 15 0.319 -0.129 -5.953 112 HA LEU 15 HA LEU 15 1.292 -2.276 -4.173 113 HB2 LEU 15 2HB LEU 15 -1.134 -0.509 -3.715 114 HB3 LEU 15 3HB LEU 15 -0.214 -1.440 -2.555 115 HG LEU 15 HG LEU 15 1.752 0.235 -3.077 116 HD11 LEU 15 1HD1 LEU 15 -0.583 1.736 -4.228 117 HD12 LEU 15 2HD1 LEU 15 1.017 1.424 -4.964 118 HD13 LEU 15 3HD1 LEU 15 0.889 2.522 -3.612 119 HD21 LEU 15 3HD2 LEU 15 0.468 0.196 -0.934 120 HD22 LEU 15 1HD2 LEU 15 -0.732 1.279 -1.665 121 HD23 LEU 15 2HD2 LEU 15 0.945 1.830 -1.432 122 H GLU 16 H GLU 16 -0.145 -3.858 -3.342 123 HA GLU 16 HA GLU 16 -2.236 -4.878 -5.174 124 HB2 GLU 16 2HB GLU 16 -0.337 -6.427 -4.876 125 HB3 GLU 16 3HB GLU 16 -0.495 -6.291 -3.126 126 HG2 GLU 16 2HG GLU 16 -2.862 -7.186 -3.373 127 HG3 GLU 16 3HG GLU 16 -2.452 -7.554 -5.056 128 H ILE 17 H ILE 17 -4.121 -4.017 -4.384 129 HA ILE 17 HA ILE 17 -4.468 -3.807 -1.427 130 HB ILE 17 HB ILE 17 -5.798 -2.335 -3.716 131 HG12 ILE 17 2HG1 ILE 17 -4.185 -1.066 -1.467 132 HG13 ILE 17 3HG1 ILE 17 -3.317 -1.769 -2.815 133 HG21 ILE 17 1HG2 ILE 17 -7.450 -2.672 -1.960 134 HG22 ILE 17 2HG2 ILE 17 -6.296 -2.190 -0.704 135 HG23 ILE 17 3HG2 ILE 17 -6.911 -0.997 -1.885 136 HD11 ILE 17 3HD1 ILE 17 -5.418 0.409 -3.001 137 HD12 ILE 17 1HD1 ILE 17 -3.672 0.528 -3.345 138 HD13 ILE 17 2HD1 ILE 17 -4.714 -0.427 -4.410 139 H THR 18 H THR 18 -5.768 -5.225 -0.590 140 HA THR 18 HA THR 18 -7.797 -6.594 -2.290 141 HB THR 18 HB THR 18 -6.447 -8.258 -0.247 142 HG1 THR 18 1HG THR 18 -5.132 -7.605 -2.689 143 HG21 THR 18 3HG2 THR 18 -7.166 -8.723 -3.160 144 HG22 THR 18 1HG2 THR 18 -8.069 -9.290 -1.727 145 HG23 THR 18 2HG2 THR 18 -6.469 -9.944 -2.093 146 H ALA 19 H ALA 19 -9.620 -7.301 -1.126 147 HA ALA 19 HA ALA 19 -10.115 -5.731 1.342 148 HB1 ALA 19 1HB ALA 19 -11.777 -5.629 -0.487 149 HB2 ALA 19 2HB ALA 19 -11.942 -7.399 -0.444 150 HB3 ALA 19 3HB ALA 19 -12.471 -6.437 0.934 151 H ILE 20 H ILE 20 -10.911 -6.771 3.294 152 HA ILE 20 HA ILE 20 -10.383 -9.675 3.419 153 HB ILE 20 HB ILE 20 -10.090 -8.267 5.979 154 HG12 ILE 20 2HG1 ILE 20 -8.049 -7.666 3.826 155 HG13 ILE 20 3HG1 ILE 20 -9.016 -6.495 4.703 156 HG21 ILE 20 1HG2 ILE 20 -8.244 -10.102 4.421 157 HG22 ILE 20 2HG2 ILE 20 -8.258 -9.850 6.183 158 HG23 ILE 20 3HG2 ILE 20 -9.615 -10.664 5.412 159 HD11 ILE 20 3HD1 ILE 20 -6.788 -6.474 5.634 160 HD12 ILE 20 1HD1 ILE 20 -7.899 -7.158 6.836 161 HD13 ILE 20 2HD1 ILE 20 -6.804 -8.208 5.890 162 H ARG 21 H ARG 21 -11.848 -10.893 4.545 163 HA ARG 21 HA ARG 21 -14.279 -9.572 5.554 164 HB2 ARG 21 2HB ARG 21 -14.588 -10.518 3.274 165 HB3 ARG 21 3HB ARG 21 -14.004 -12.094 3.826 166 HG2 ARG 21 2HG ARG 21 -15.927 -12.394 5.271 167 HG3 ARG 21 3HG ARG 21 -16.391 -10.698 5.086 168 HD2 ARG 21 2HD ARG 21 -17.869 -11.802 3.681 169 HD3 ARG 21 3HD ARG 21 -16.633 -11.129 2.599 170 HE ARG 21 HE ARG 21 -15.808 -13.741 3.145 171 HH11 ARG 21 1HH1 ARG 21 -18.751 -12.276 1.789 172 HH12 ARG 21 2HH1 ARG 21 -18.919 -13.419 0.527 173 HH21 ARG 21 1HH2 ARG 21 -16.186 -15.445 1.632 174 HH22 ARG 21 2HH2 ARG 21 -17.534 -15.360 0.536 175 H ALA 22 H ALA 22 -15.040 -10.552 7.446 176 HA ALA 22 HA ALA 22 -13.622 -12.881 8.566 177 HB1 ALA 22 1HB ALA 22 -14.052 -10.196 9.969 178 HB2 ALA 22 2HB ALA 22 -13.493 -11.684 10.754 179 HB3 ALA 22 3HB ALA 22 -12.485 -10.914 9.519 180 H GLN 23 H GLN 23 -14.911 -13.690 10.436 181 HA GLN 23 HA GLN 23 -17.783 -12.993 10.306 182 HB2 GLN 23 2HB GLN 23 -18.457 -15.314 10.114 183 HB3 GLN 23 3HB GLN 23 -17.539 -14.714 8.741 184 HG2 GLN 23 2HG GLN 23 -15.534 -15.904 10.216 185 HG3 GLN 23 3HG GLN 23 -16.909 -16.942 10.580 186 HE21 GLN 23 1HE2 GLN 23 -18.250 -17.670 8.499 187 HE22 GLN 23 2HE2 GLN 23 -17.322 -17.912 7.048 188 H GLY 24 H GLY 24 -15.180 -14.669 12.092 189 HA2 GLY 24 2HA GLY 24 -14.835 -14.839 14.346 190 HA3 GLY 24 3HA GLY 24 -16.134 -13.658 14.613 191 H ALA 25 H ALA 25 -16.263 -15.415 16.495 192 HA ALA 25 HA ALA 25 -17.581 -17.922 15.873 193 HB1 ALA 25 1HB ALA 25 -17.912 -18.105 18.268 194 HB2 ALA 25 2HB ALA 25 -16.264 -17.512 17.980 195 HB3 ALA 25 3HB ALA 25 -17.553 -16.393 18.503 196 H GLY 26 H GLY 26 -19.783 -18.214 15.466 197 HA2 GLY 26 2HA GLY 26 -21.475 -15.848 15.284 198 HA3 GLY 26 3HA GLY 26 -21.912 -17.516 14.898 199 H GLY 27 H GLY 27 -21.728 -15.100 17.395 200 HA2 GLY 27 2HA GLY 27 -23.740 -16.485 19.018 201 HA3 GLY 27 3HA GLY 27 -22.154 -16.282 19.789 202 H GLN 28 H GLN 28 -21.383 -14.143 20.208 203 HA GLN 28 HA GLN 28 -23.315 -11.906 19.773 204 HB2 GLN 28 2HB GLN 28 -21.972 -12.580 22.421 205 HB3 GLN 28 3HB GLN 28 -22.932 -11.135 22.075 206 HG2 GLN 28 2HG GLN 28 -24.863 -12.688 21.467 207 HG3 GLN 28 3HG GLN 28 -23.916 -14.009 22.171 208 HE21 GLN 28 1HE2 GLN 28 -26.507 -13.165 23.131 209 HE22 GLN 28 2HE2 GLN 28 -26.248 -12.540 24.754 210 H HIS 29 H HIS 29 -20.269 -12.918 18.991 211 HA HIS 29 HA HIS 29 -19.384 -10.094 18.870 212 HB2 HIS 29 2HB HIS 29 -17.147 -10.680 19.547 213 HB3 HIS 29 3HB HIS 29 -18.337 -10.775 20.823 214 HD1 HIS 29 1HD HIS 29 -16.787 -13.441 18.413 215 HD2 HIS 29 2HD HIS 29 -17.804 -12.635 22.409 216 HE1 HIS 29 1HE HIS 29 -15.907 -15.426 19.793 217 H VAL 30 H VAL 30 -20.343 -10.516 16.776 218 HA VAL 30 HA VAL 30 -18.398 -11.663 14.834 219 HB VAL 30 HB VAL 30 -20.314 -11.682 13.281 220 HG11 VAL 30 1HG1 VAL 30 -19.785 -13.701 14.630 221 HG12 VAL 30 2HG1 VAL 30 -20.968 -13.190 15.847 222 HG13 VAL 30 3HG1 VAL 30 -21.496 -13.587 14.197 223 HG21 VAL 30 3HG2 VAL 30 -22.616 -11.391 14.035 224 HG22 VAL 30 1HG2 VAL 30 -22.082 -10.942 15.661 225 HG23 VAL 30 2HG2 VAL 30 -21.723 -9.886 14.273 226 H ASN 31 H ASN 31 -18.457 -10.268 12.697 227 HA ASN 31 HA ASN 31 -17.834 -8.403 11.685 228 HB2 ASN 31 2HB ASN 31 -20.127 -7.197 13.251 229 HB3 ASN 31 3HB ASN 31 -19.375 -6.494 11.825 230 HD21 ASN 31 1HD2 ASN 31 -22.030 -6.901 11.820 231 HD22 ASN 31 2HD2 ASN 31 -22.337 -8.013 10.501 232 H LYS 32 H LYS 32 -16.707 -8.725 14.600 233 HA LYS 32 HA LYS 32 -16.121 -6.012 15.347 234 HB2 LYS 32 2HB LYS 32 -16.267 -8.158 16.799 235 HB3 LYS 32 3HB LYS 32 -14.636 -8.498 16.241 236 HG2 LYS 32 2HG LYS 32 -14.529 -7.492 18.399 237 HG3 LYS 32 3HG LYS 32 -13.889 -6.309 17.252 238 HD2 LYS 32 2HD LYS 32 -16.081 -5.111 17.313 239 HD3 LYS 32 3HD LYS 32 -16.708 -6.339 18.434 240 HE2 LYS 32 2HE LYS 32 -14.947 -5.745 20.071 241 HE3 LYS 32 3HE LYS 32 -14.295 -4.543 18.941 242 HZ1 LYS 32 3HZ LYS 32 -16.373 -3.369 19.055 243 HZ2 LYS 32 1HZ LYS 32 -15.747 -3.508 20.556 244 HZ3 LYS 32 2HZ LYS 32 -17.015 -4.467 20.116 245 H THR 33 H THR 33 -14.640 -8.047 12.973 246 HA THR 33 HA THR 33 -12.453 -6.070 12.650 247 HB THR 33 HB THR 33 -11.815 -8.049 14.083 248 HG1 THR 33 1HG THR 33 -9.857 -8.154 13.297 249 HG21 THR 33 3HG2 THR 33 -11.340 -10.189 13.124 250 HG22 THR 33 1HG2 THR 33 -11.747 -9.631 11.494 251 HG23 THR 33 2HG2 THR 33 -13.026 -9.814 12.712 252 H SER 34 H SER 34 -15.127 -7.015 11.232 253 HA SER 34 HA SER 34 -14.305 -8.042 8.665 254 HB2 SER 34 2HB SER 34 -16.772 -7.660 8.245 255 HB3 SER 34 3HB SER 34 -16.425 -8.654 9.661 256 HG SER 34 HG SER 34 -17.971 -6.692 9.686 257 H THR 35 H THR 35 -15.388 -6.874 6.746 258 HA THR 35 HA THR 35 -15.110 -5.355 5.167 259 HB THR 35 HB THR 35 -16.103 -3.349 7.221 260 HG1 THR 35 1HG THR 35 -17.966 -4.412 7.251 261 HG21 THR 35 3HG2 THR 35 -15.845 -2.421 5.042 262 HG22 THR 35 1HG2 THR 35 -17.572 -2.731 5.248 263 HG23 THR 35 2HG2 THR 35 -16.577 -3.826 4.249 264 H ALA 36 H ALA 36 -12.734 -5.805 6.675 265 HA ALA 36 HA ALA 36 -11.257 -3.289 6.854 266 HB1 ALA 36 1HB ALA 36 -10.408 -6.217 7.067 267 HB2 ALA 36 2HB ALA 36 -9.449 -4.803 7.557 268 HB3 ALA 36 3HB ALA 36 -10.964 -5.205 8.414 269 H ILE 37 H ILE 37 -8.904 -3.428 5.958 270 HA ILE 37 HA ILE 37 -8.910 -4.390 3.122 271 HB ILE 37 HB ILE 37 -8.332 -1.587 4.132 272 HG12 ILE 37 2HG1 ILE 37 -10.651 -1.945 3.303 273 HG13 ILE 37 3HG1 ILE 37 -9.735 -0.830 2.320 274 HG21 ILE 37 1HG2 ILE 37 -6.375 -1.986 2.852 275 HG22 ILE 37 2HG2 ILE 37 -7.262 -2.861 1.585 276 HG23 ILE 37 3HG2 ILE 37 -7.455 -1.131 1.780 277 HD11 ILE 37 3HD1 ILE 37 -10.456 -3.677 1.619 278 HD12 ILE 37 1HD1 ILE 37 -10.983 -2.177 0.831 279 HD13 ILE 37 2HD1 ILE 37 -9.312 -2.714 0.660 280 H HIS 38 H HIS 38 -7.052 -5.063 2.344 281 HA HIS 38 HA HIS 38 -4.725 -5.354 4.141 282 HB2 HIS 38 2HB HIS 38 -6.061 -7.422 3.280 283 HB3 HIS 38 3HB HIS 38 -5.430 -7.047 1.693 284 HD1 HIS 38 1HD HIS 38 -2.810 -7.862 1.342 285 HD2 HIS 38 2HD HIS 38 -4.467 -8.196 5.205 286 HE1 HIS 38 1HE HIS 38 -1.185 -9.223 2.687 287 H LEU 39 H LEU 39 -2.965 -4.215 3.446 288 HA LEU 39 HA LEU 39 -2.862 -3.196 0.638 289 HB2 LEU 39 2HB LEU 39 -3.508 -1.453 2.187 290 HB3 LEU 39 3HB LEU 39 -2.175 -1.802 3.259 291 HG LEU 39 HG LEU 39 -1.684 -0.942 0.376 292 HD11 LEU 39 1HD1 LEU 39 -3.147 0.771 1.546 293 HD12 LEU 39 2HD1 LEU 39 -1.582 1.363 1.002 294 HD13 LEU 39 3HD1 LEU 39 -1.823 0.997 2.715 295 HD21 LEU 39 3HD2 LEU 39 -0.080 -0.932 2.968 296 HD22 LEU 39 1HD2 LEU 39 0.344 0.156 1.650 297 HD23 LEU 39 2HD2 LEU 39 0.363 -1.596 1.380 298 H ARG 40 H ARG 40 -1.307 -4.370 -0.352 299 HA ARG 40 HA ARG 40 1.129 -5.157 1.194 300 HB2 ARG 40 2HB ARG 40 -0.191 -7.128 0.612 301 HB3 ARG 40 3HB ARG 40 -0.346 -6.588 -1.047 302 HG2 ARG 40 2HG ARG 40 2.206 -6.769 -1.235 303 HG3 ARG 40 3HG ARG 40 2.156 -7.535 0.370 304 HD2 ARG 40 2HD ARG 40 0.725 -9.311 -0.508 305 HD3 ARG 40 3HD ARG 40 0.707 -8.531 -2.096 306 HE ARG 40 HE ARG 40 3.186 -9.654 -0.834 307 HH11 ARG 40 1HH1 ARG 40 1.133 -9.526 -3.820 308 HH12 ARG 40 2HH1 ARG 40 2.401 -10.230 -4.758 309 HH21 ARG 40 1HH2 ARG 40 4.828 -10.376 -2.276 310 HH22 ARG 40 2HH2 ARG 40 4.407 -10.672 -3.932 311 H PHE 41 H PHE 41 2.871 -3.989 0.482 312 HA PHE 41 HA PHE 41 2.765 -2.787 -2.272 313 HB2 PHE 41 2HB PHE 41 2.440 -0.986 -0.778 314 HB3 PHE 41 3HB PHE 41 3.663 -1.586 0.345 315 HD1 PHE 41 2HD PHE 41 3.625 -0.956 -3.422 316 HD2 PHE 41 1HD PHE 41 5.575 -0.333 0.368 317 HE1 PHE 41 2HE PHE 41 5.472 0.170 -4.560 318 HE2 PHE 41 1HE PHE 41 7.468 0.754 -0.778 319 HZ PHE 41 HZ PHE 41 7.431 1.001 -3.268 320 H ASP 42 H ASP 42 4.346 -3.723 -3.492 321 HA ASP 42 HA ASP 42 6.421 -5.387 -2.308 322 HB2 ASP 42 2HB ASP 42 5.000 -5.614 -4.605 323 HB3 ASP 42 3HB ASP 42 6.257 -4.584 -5.217 324 H ILE 43 H ILE 43 8.475 -4.684 -1.865 325 HA ILE 43 HA ILE 43 9.151 -1.923 -2.575 326 HB ILE 43 HB ILE 43 10.677 -4.137 -1.160 327 HG12 ILE 43 2HG1 ILE 43 9.958 -1.505 0.117 328 HG13 ILE 43 3HG1 ILE 43 8.627 -2.623 -0.143 329 HG21 ILE 43 1HG2 ILE 43 12.289 -2.791 -2.336 330 HG22 ILE 43 2HG2 ILE 43 11.546 -1.292 -1.750 331 HG23 ILE 43 3HG2 ILE 43 12.370 -2.409 -0.618 332 HD11 ILE 43 3HD1 ILE 43 11.172 -3.510 1.258 333 HD12 ILE 43 1HD1 ILE 43 9.766 -2.833 2.105 334 HD13 ILE 43 2HD1 ILE 43 9.582 -4.312 1.183 335 H ARG 44 H ARG 44 10.483 -5.202 -3.360 336 HA ARG 44 HA ARG 44 12.480 -4.464 -5.133 337 HB2 ARG 44 2HB ARG 44 10.634 -6.873 -5.199 338 HB3 ARG 44 3HB ARG 44 12.105 -6.750 -6.119 339 HG2 ARG 44 2HG ARG 44 12.316 -6.406 -3.127 340 HG3 ARG 44 3HG ARG 44 11.999 -8.015 -3.765 341 HD2 ARG 44 2HD ARG 44 14.227 -6.300 -4.836 342 HD3 ARG 44 3HD ARG 44 14.451 -7.365 -3.438 343 HE ARG 44 HE ARG 44 13.772 -9.250 -4.856 344 HH11 ARG 44 1HH1 ARG 44 15.210 -6.382 -6.502 345 HH12 ARG 44 2HH1 ARG 44 15.533 -7.286 -7.949 346 HH21 ARG 44 1HH2 ARG 44 14.462 -10.405 -6.740 347 HH22 ARG 44 2HH2 ARG 44 15.099 -9.509 -8.088 348 H ALA 45 H ALA 45 9.104 -5.065 -5.826 349 HA ALA 45 HA ALA 45 9.382 -4.701 -8.673 350 HB1 ALA 45 1HB ALA 45 7.769 -6.293 -7.239 351 HB2 ALA 45 2HB ALA 45 6.728 -4.866 -7.245 352 HB3 ALA 45 3HB ALA 45 7.225 -5.576 -8.775 353 H SER 46 H SER 46 9.460 -2.325 -6.389 354 HA SER 46 HA SER 46 7.393 -0.774 -7.767 355 HB2 SER 46 2HB SER 46 7.540 0.810 -5.945 356 HB3 SER 46 3HB SER 46 7.261 -0.833 -5.378 357 HG SER 46 HG SER 46 9.432 -0.982 -4.816 358 H SER 47 H SER 47 7.910 1.614 -8.134 359 HA SER 47 HA SER 47 10.384 1.918 -9.625 360 HB2 SER 47 2HB SER 47 8.233 3.962 -8.945 361 HB3 SER 47 3HB SER 47 9.476 4.096 -10.210 362 HG SER 47 HG SER 47 7.320 2.234 -10.018 363 H LEU 48 H LEU 48 10.041 1.914 -6.322 364 HA LEU 48 HA LEU 48 11.091 4.321 -5.389 365 HB2 LEU 48 2HB LEU 48 11.493 1.457 -4.437 366 HB3 LEU 48 3HB LEU 48 12.084 2.836 -3.533 367 HG LEU 48 HG LEU 48 9.159 2.266 -4.158 368 HD11 LEU 48 1HD1 LEU 48 10.105 0.785 -2.438 369 HD12 LEU 48 2HD1 LEU 48 9.072 1.990 -1.659 370 HD13 LEU 48 3HD1 LEU 48 10.834 2.172 -1.597 371 HD21 LEU 48 3HD2 LEU 48 10.395 4.533 -2.575 372 HD22 LEU 48 1HD2 LEU 48 8.650 4.117 -2.688 373 HD23 LEU 48 2HD2 LEU 48 9.501 4.670 -4.109 374 HA PRO 49 HA PRO 49 15.260 4.477 -6.717 375 HB2 PRO 49 2HB PRO 49 16.530 5.749 -4.603 376 HB3 PRO 49 3HB PRO 49 15.446 6.586 -5.750 377 HG2 PRO 49 2HG PRO 49 14.786 5.514 -3.027 378 HG3 PRO 49 3HG PRO 49 14.374 7.116 -3.714 379 HD2 PRO 49 2HD PRO 49 12.582 5.077 -3.690 380 HD3 PRO 49 3HD PRO 49 12.688 6.179 -5.087 381 H GLU 50 H GLU 50 17.116 3.237 -6.510 382 HA GLU 50 HA GLU 50 17.129 0.815 -5.262 383 HB2 GLU 50 2HB GLU 50 19.670 0.946 -5.534 384 HB3 GLU 50 3HB GLU 50 18.707 1.234 -6.986 385 HG2 GLU 50 2HG GLU 50 19.090 3.595 -6.903 386 HG3 GLU 50 3HG GLU 50 19.664 3.537 -5.241 387 H TYR 51 H TYR 51 18.271 3.858 -3.793 388 HA TYR 51 HA TYR 51 19.534 2.719 -1.513 389 HB2 TYR 51 2HB TYR 51 19.742 5.083 -2.266 390 HB3 TYR 51 3HB TYR 51 18.096 5.407 -1.732 391 HD1 TYR 51 1HD TYR 51 21.563 4.592 -0.699 392 HD2 TYR 51 2HD TYR 51 17.611 5.638 0.717 393 HE1 TYR 51 1HE TYR 51 22.501 5.127 1.502 394 HE2 TYR 51 2HE TYR 51 18.543 6.157 2.935 395 HH TYR 51 HH TYR 51 22.076 6.181 3.524 396 H TYR 52 H TYR 52 16.160 3.922 -1.995 397 HA TYR 52 HA TYR 52 15.281 3.152 0.630 398 HB2 TYR 52 2HB TYR 52 13.786 3.725 -1.955 399 HB3 TYR 52 3HB TYR 52 12.976 3.095 -0.549 400 HD1 TYR 52 2HD TYR 52 15.622 5.841 -0.801 401 HD2 TYR 52 1HD TYR 52 11.588 4.713 0.284 402 HE1 TYR 52 2HE TYR 52 15.224 8.102 0.070 403 HE2 TYR 52 1HE TYR 52 11.192 6.975 1.140 404 HH TYR 52 HH TYR 52 13.613 9.588 0.812 405 H LYS 53 H LYS 53 15.481 1.433 -2.511 406 HA LYS 53 HA LYS 53 13.909 -0.820 -1.810 407 HB2 LYS 53 2HB LYS 53 16.407 -0.694 -3.540 408 HB3 LYS 53 3HB LYS 53 15.358 -2.057 -3.466 409 HG2 LYS 53 2HG LYS 53 14.395 0.668 -4.406 410 HG3 LYS 53 3HG LYS 53 15.157 -0.533 -5.445 411 HD2 LYS 53 2HD LYS 53 13.351 -2.176 -4.738 412 HD3 LYS 53 3HD LYS 53 12.579 -0.814 -3.909 413 HE2 LYS 53 2HE LYS 53 11.470 -0.786 -5.937 414 HE3 LYS 53 3HE LYS 53 12.749 0.391 -6.208 415 HZ1 LYS 53 3HZ LYS 53 13.968 -1.327 -7.402 416 HZ2 LYS 53 1HZ LYS 53 12.495 -1.081 -8.047 417 HZ3 LYS 53 2HZ LYS 53 12.713 -2.424 -7.160 418 H GLU 54 H GLU 54 17.478 -0.377 -1.465 419 HA GLU 54 HA GLU 54 17.858 -2.826 -0.036 420 HB2 GLU 54 2HB GLU 54 19.468 -0.243 0.163 421 HB3 GLU 54 3HB GLU 54 19.968 -1.839 0.708 422 HG2 GLU 54 2HG GLU 54 19.580 -2.575 -1.748 423 HG3 GLU 54 3HG GLU 54 19.646 -0.861 -2.136 424 H ARG 55 H ARG 55 17.107 0.467 1.039 425 HA ARG 55 HA ARG 55 17.504 0.113 3.822 426 HB2 ARG 55 2HB ARG 55 16.329 2.122 2.064 427 HB3 ARG 55 3HB ARG 55 15.280 1.905 3.438 428 HG2 ARG 55 2HG ARG 55 16.855 3.703 3.828 429 HG3 ARG 55 3HG ARG 55 17.092 2.372 4.960 430 HD2 ARG 55 2HD ARG 55 18.934 1.590 3.293 431 HD3 ARG 55 3HD ARG 55 18.861 3.235 2.662 432 HE ARG 55 HE ARG 55 18.975 3.768 5.282 433 HH11 ARG 55 1HH1 ARG 55 21.166 1.571 3.445 434 HH12 ARG 55 2HH1 ARG 55 22.176 1.329 4.825 435 HH21 ARG 55 1HH2 ARG 55 20.400 3.476 7.006 436 HH22 ARG 55 2HH2 ARG 55 21.921 2.704 6.737 437 H LEU 56 H LEU 56 14.422 -0.026 2.074 438 HA LEU 56 HA LEU 56 12.953 -0.973 4.348 439 HB2 LEU 56 2HB LEU 56 12.263 -1.189 1.399 440 HB3 LEU 56 3HB LEU 56 11.139 -1.256 2.765 441 HG LEU 56 HG LEU 56 12.798 1.215 2.086 442 HD11 LEU 56 1HD1 LEU 56 10.806 2.153 1.105 443 HD12 LEU 56 2HD1 LEU 56 9.922 0.627 1.378 444 HD13 LEU 56 3HD1 LEU 56 11.313 0.681 0.261 445 HD21 LEU 56 3HD2 LEU 56 11.235 2.405 3.484 446 HD22 LEU 56 1HD2 LEU 56 12.185 1.217 4.382 447 HD23 LEU 56 2HD2 LEU 56 10.476 0.865 3.974 448 H LEU 57 H LEU 57 14.920 -2.739 1.884 449 HA LEU 57 HA LEU 57 13.723 -5.318 2.477 450 HB2 LEU 57 2HB LEU 57 16.236 -4.291 1.140 451 HB3 LEU 57 3HB LEU 57 16.228 -5.957 1.664 452 HG LEU 57 HG LEU 57 14.011 -4.905 -0.121 453 HD11 LEU 57 1HD1 LEU 57 16.128 -4.446 -1.241 454 HD12 LEU 57 2HD1 LEU 57 15.432 -5.921 -1.977 455 HD13 LEU 57 3HD1 LEU 57 16.760 -6.045 -0.824 456 HD21 LEU 57 3HD2 LEU 57 13.669 -7.110 1.036 457 HD22 LEU 57 1HD2 LEU 57 15.157 -7.706 0.278 458 HD23 LEU 57 2HD2 LEU 57 13.763 -7.241 -0.728 459 H ALA 58 H ALA 58 16.463 -3.373 3.725 460 HA ALA 58 HA ALA 58 17.379 -5.436 5.571 461 HB1 ALA 58 1HB ALA 58 19.183 -3.866 5.940 462 HB2 ALA 58 2HB ALA 58 18.847 -3.915 4.199 463 HB3 ALA 58 3HB ALA 58 18.267 -2.547 5.150 464 H ALA 59 H ALA 59 14.770 -3.527 5.731 465 HA ALA 59 HA ALA 59 15.036 -2.196 8.304 466 HB1 ALA 59 1HB ALA 59 12.502 -2.034 7.900 467 HB2 ALA 59 2HB ALA 59 13.532 -1.243 6.663 468 HB3 ALA 59 3HB ALA 59 12.773 -2.831 6.373 469 H SER 60 H SER 60 14.776 -3.225 10.263 470 HA SER 60 HA SER 60 13.764 -5.993 10.290 471 HB2 SER 60 2HB SER 60 15.897 -5.324 11.390 472 HB3 SER 60 3HB SER 60 14.990 -4.260 12.467 473 HG SER 60 HG SER 60 14.197 -5.938 13.516 474 H HIS 61 H HIS 61 11.594 -5.541 9.777 475 HA HIS 61 HA HIS 61 10.055 -4.196 11.940 476 HB2 HIS 61 2HB HIS 61 10.256 -3.053 9.479 477 HB3 HIS 61 3HB HIS 61 8.983 -4.175 9.144 478 HD1 HIS 61 1HD HIS 61 6.974 -4.043 11.420 479 HD2 HIS 61 2HD HIS 61 9.274 -0.715 10.201 480 HE1 HIS 61 1HE HIS 61 5.803 -2.022 12.279 481 H HIS 62 H HIS 62 8.732 -5.573 12.846 482 HA HIS 62 HA HIS 62 8.251 -8.227 12.157 483 HB2 HIS 62 2HB HIS 62 6.558 -8.065 13.971 484 HB3 HIS 62 3HB HIS 62 8.085 -7.314 14.405 485 HD1 HIS 62 1HD HIS 62 8.076 -4.528 14.534 486 HD2 HIS 62 2HD HIS 62 4.396 -6.499 13.848 487 HE1 HIS 62 1HE HIS 62 6.251 -2.739 14.633 488 H LEU 63 H LEU 63 7.157 -5.797 10.259 489 HA LEU 63 HA LEU 63 4.578 -7.114 9.538 490 HB2 LEU 63 2HB LEU 63 5.336 -4.222 9.096 491 HB3 LEU 63 3HB LEU 63 3.789 -5.005 8.753 492 HG LEU 63 HG LEU 63 4.885 -4.483 11.529 493 HD11 LEU 63 1HD1 LEU 63 3.151 -2.739 11.634 494 HD12 LEU 63 2HD1 LEU 63 2.685 -3.068 9.955 495 HD13 LEU 63 3HD1 LEU 63 4.286 -2.405 10.328 496 HD21 LEU 63 3HD2 LEU 63 2.161 -5.474 10.579 497 HD22 LEU 63 1HD2 LEU 63 2.592 -5.081 12.260 498 HD23 LEU 63 2HD2 LEU 63 3.378 -6.438 11.443 499 H ILE 64 H ILE 64 7.838 -6.359 8.435 500 HA ILE 64 HA ILE 64 6.989 -6.355 5.608 501 HB ILE 64 HB ILE 64 9.657 -5.862 6.975 502 HG12 ILE 64 2HG1 ILE 64 7.669 -4.025 5.554 503 HG13 ILE 64 3HG1 ILE 64 7.891 -4.093 7.281 504 HG21 ILE 64 1HG2 ILE 64 10.003 -6.822 4.691 505 HG22 ILE 64 2HG2 ILE 64 8.975 -5.541 4.005 506 HG23 ILE 64 3HG2 ILE 64 10.528 -5.165 4.786 507 HD11 ILE 64 3HD1 ILE 64 9.866 -3.048 5.242 508 HD12 ILE 64 1HD1 ILE 64 9.088 -2.209 6.593 509 HD13 ILE 64 2HD1 ILE 64 10.328 -3.433 6.918 510 H SER 65 H SER 65 7.455 -8.017 4.245 511 HA SER 65 HA SER 65 8.112 -10.632 5.435 512 HB2 SER 65 2HB SER 65 6.370 -9.879 3.407 513 HB3 SER 65 3HB SER 65 7.747 -10.450 2.480 514 HG SER 65 HG SER 65 5.906 -11.908 3.548 515 H SER 66 H SER 66 9.819 -11.977 4.627 516 HA SER 66 HA SER 66 12.325 -10.969 4.412 517 HB2 SER 66 2HB SER 66 12.759 -13.318 3.382 518 HB3 SER 66 3HB SER 66 12.014 -13.225 4.977 519 HG SER 66 HG SER 66 11.002 -14.255 2.658 520 H ASP 67 H ASP 67 10.059 -11.425 1.715 521 HA ASP 67 HA ASP 67 12.167 -11.235 -0.296 522 HB2 ASP 67 2HB ASP 67 9.138 -11.297 -0.451 523 HB3 ASP 67 3HB ASP 67 10.153 -11.061 -1.879 524 H GLY 68 H GLY 68 10.547 -8.908 1.554 525 HA2 GLY 68 2HA GLY 68 11.126 -6.647 1.566 526 HA3 GLY 68 3HA GLY 68 11.573 -6.712 -0.165 527 H VAL 69 H VAL 69 8.742 -7.424 1.948 528 HA VAL 69 HA VAL 69 6.980 -5.911 0.094 529 HB VAL 69 HB VAL 69 6.456 -8.679 1.264 530 HG11 VAL 69 1HG1 VAL 69 4.710 -6.839 -0.427 531 HG12 VAL 69 2HG1 VAL 69 4.344 -8.521 -0.001 532 HG13 VAL 69 3HG1 VAL 69 4.424 -7.310 1.264 533 HG21 VAL 69 3HG2 VAL 69 7.918 -8.863 -0.709 534 HG22 VAL 69 1HG2 VAL 69 6.293 -9.414 -1.098 535 HG23 VAL 69 2HG2 VAL 69 6.830 -7.811 -1.635 536 H ILE 70 H ILE 70 5.769 -4.504 1.248 537 HA ILE 70 HA ILE 70 5.825 -4.664 4.221 538 HB ILE 70 HB ILE 70 5.036 -2.337 2.402 539 HG12 ILE 70 2HG1 ILE 70 7.692 -2.681 3.862 540 HG13 ILE 70 3HG1 ILE 70 7.491 -3.049 2.159 541 HG21 ILE 70 1HG2 ILE 70 5.372 -1.008 4.525 542 HG22 ILE 70 2HG2 ILE 70 4.143 -2.232 4.708 543 HG23 ILE 70 3HG2 ILE 70 5.757 -2.510 5.374 544 HD11 ILE 70 3HD1 ILE 70 6.834 -0.282 3.178 545 HD12 ILE 70 1HD1 ILE 70 8.475 -0.800 2.758 546 HD13 ILE 70 2HD1 ILE 70 7.216 -0.851 1.536 547 H VAL 71 H VAL 71 3.964 -5.384 5.223 548 HA VAL 71 HA VAL 71 1.434 -5.488 3.618 549 HB VAL 71 HB VAL 71 2.328 -7.428 5.755 550 HG11 VAL 71 1HG1 VAL 71 0.026 -7.400 3.775 551 HG12 VAL 71 2HG1 VAL 71 0.456 -8.794 4.796 552 HG13 VAL 71 3HG1 VAL 71 -0.096 -7.293 5.544 553 HG21 VAL 71 3HG2 VAL 71 2.411 -7.708 2.715 554 HG22 VAL 71 1HG2 VAL 71 3.807 -7.750 3.816 555 HG23 VAL 71 2HG2 VAL 71 2.619 -9.051 3.854 556 H ILE 72 H ILE 72 -0.126 -4.191 4.443 557 HA ILE 72 HA ILE 72 -0.189 -3.586 7.366 558 HB ILE 72 HB ILE 72 -0.729 -1.762 5.025 559 HG12 ILE 72 2HG1 ILE 72 1.385 -1.670 7.242 560 HG13 ILE 72 3HG1 ILE 72 1.670 -2.182 5.578 561 HG21 ILE 72 1HG2 ILE 72 -1.225 0.039 6.565 562 HG22 ILE 72 2HG2 ILE 72 -2.326 -1.271 6.933 563 HG23 ILE 72 3HG2 ILE 72 -0.908 -0.983 7.969 564 HD11 ILE 72 3HD1 ILE 72 1.067 0.586 6.544 565 HD12 ILE 72 1HD1 ILE 72 2.422 -0.021 5.566 566 HD13 ILE 72 2HD1 ILE 72 0.803 0.096 4.854 567 H LYS 73 H LYS 73 -2.337 -3.538 8.298 568 HA LYS 73 HA LYS 73 -4.585 -4.407 6.563 569 HB2 LYS 73 2HB LYS 73 -3.972 -5.579 9.314 570 HB3 LYS 73 3HB LYS 73 -5.278 -6.024 8.197 571 HG2 LYS 73 2HG LYS 73 -3.503 -6.740 6.556 572 HG3 LYS 73 3HG LYS 73 -2.277 -6.368 7.751 573 HD2 LYS 73 2HD LYS 73 -3.212 -8.034 9.305 574 HD3 LYS 73 3HD LYS 73 -4.384 -8.543 8.053 575 HE2 LYS 73 2HE LYS 73 -2.728 -9.476 6.703 576 HE3 LYS 73 3HE LYS 73 -1.506 -8.313 7.208 577 HZ1 LYS 73 3HZ LYS 73 -1.092 -10.582 7.935 578 HZ2 LYS 73 1HZ LYS 73 -2.368 -10.534 8.948 579 HZ3 LYS 73 2HZ LYS 73 -1.059 -9.499 9.127 580 H ALA 74 H ALA 74 -5.487 -2.395 6.605 581 HA ALA 74 HA ALA 74 -5.773 -0.957 9.178 582 HB1 ALA 74 1HB ALA 74 -6.473 -0.183 6.340 583 HB2 ALA 74 2HB ALA 74 -6.665 0.853 7.770 584 HB3 ALA 74 3HB ALA 74 -5.048 0.339 7.280 585 H GLN 75 H GLN 75 -7.602 -0.912 10.321 586 HA GLN 75 HA GLN 75 -10.192 -1.503 9.150 587 HB2 GLN 75 2HB GLN 75 -9.876 -3.197 11.504 588 HB3 GLN 75 3HB GLN 75 -10.492 -3.593 9.925 589 HG2 GLN 75 2HG GLN 75 -8.133 -4.042 9.140 590 HG3 GLN 75 3HG GLN 75 -7.542 -3.623 10.730 591 HE21 GLN 75 1HE2 GLN 75 -8.873 -6.083 8.759 592 HE22 GLN 75 2HE2 GLN 75 -9.146 -7.276 9.981 593 H GLU 76 H GLU 76 -11.267 0.155 9.977 594 HA GLU 76 HA GLU 76 -11.319 0.770 12.844 595 HB2 GLU 76 2HB GLU 76 -10.425 2.845 10.776 596 HB3 GLU 76 3HB GLU 76 -10.964 3.205 12.412 597 HG2 GLU 76 2HG GLU 76 -9.046 1.721 13.240 598 HG3 GLU 76 3HG GLU 76 -8.439 1.761 11.569 599 H TYR 77 H TYR 77 -12.289 1.591 9.480 600 HA TYR 77 HA TYR 77 -14.821 2.801 10.355 601 HB2 TYR 77 2HB TYR 77 -13.614 2.285 7.603 602 HB3 TYR 77 3HB TYR 77 -15.063 3.216 7.915 603 HD1 TYR 77 1HD TYR 77 -11.348 3.169 8.460 604 HD2 TYR 77 2HD TYR 77 -14.970 5.549 8.438 605 HE1 TYR 77 1HE TYR 77 -10.009 5.231 8.529 606 HE2 TYR 77 2HE TYR 77 -13.612 7.598 8.383 607 HH TYR 77 HH TYR 77 -11.371 8.303 7.724 608 H ARG 78 H ARG 78 -16.785 2.210 9.236 609 HA ARG 78 HA ARG 78 -17.306 -0.693 9.172 610 HB2 ARG 78 2HB ARG 78 -19.062 1.769 8.954 611 HB3 ARG 78 3HB ARG 78 -19.656 0.101 8.901 612 HG2 ARG 78 2HG ARG 78 -18.754 -0.223 11.239 613 HG3 ARG 78 3HG ARG 78 -18.375 1.524 11.263 614 HD2 ARG 78 2HD ARG 78 -20.793 1.956 10.590 615 HD3 ARG 78 3HD ARG 78 -21.091 0.237 10.768 616 HE ARG 78 HE ARG 78 -20.954 0.371 13.081 617 HH11 ARG 78 1HH1 ARG 78 -20.363 3.619 11.635 618 HH12 ARG 78 2HH1 ARG 78 -20.839 4.441 13.080 619 HH21 ARG 78 1HH2 ARG 78 -21.801 1.597 14.878 620 HH22 ARG 78 2HH2 ARG 78 -21.549 3.322 14.913 621 H SER 79 H SER 79 -16.311 1.590 6.851 622 HA SER 79 HA SER 79 -17.611 0.117 4.625 623 HB2 SER 79 2HB SER 79 -16.786 3.044 4.739 624 HB3 SER 79 3HB SER 79 -17.504 2.205 3.350 625 HG SER 79 HG SER 79 -19.180 3.166 4.433 626 H GLN 80 H GLN 80 -16.280 -0.843 3.274 627 HA GLN 80 HA GLN 80 -13.581 -1.233 3.868 628 HB2 GLN 80 2HB GLN 80 -15.487 -2.482 2.430 629 HB3 GLN 80 3HB GLN 80 -14.632 -1.757 1.082 630 HG2 GLN 80 2HG GLN 80 -12.943 -3.271 1.264 631 HG3 GLN 80 3HG GLN 80 -12.832 -3.077 3.018 632 HE21 GLN 80 1HE2 GLN 80 -12.671 -5.199 3.578 633 HE22 GLN 80 2HE2 GLN 80 -13.876 -6.426 3.378 634 H GLU 81 H GLU 81 -15.069 0.929 1.529 635 HA GLU 81 HA GLU 81 -12.871 1.893 0.109 636 HB2 GLU 81 2HB GLU 81 -15.311 2.196 -0.370 637 HB3 GLU 81 3HB GLU 81 -15.395 3.369 0.943 638 HG2 GLU 81 2HG GLU 81 -13.797 4.841 -0.248 639 HG3 GLU 81 3HG GLU 81 -13.621 3.627 -1.531 640 H LEU 82 H LEU 82 -13.831 2.630 3.395 641 HA LEU 82 HA LEU 82 -12.097 5.053 3.504 642 HB2 LEU 82 2HB LEU 82 -13.849 3.792 5.635 643 HB3 LEU 82 3HB LEU 82 -13.032 5.358 5.725 644 HG LEU 82 HG LEU 82 -15.282 4.606 3.808 645 HD11 LEU 82 1HD1 LEU 82 -15.304 6.528 6.158 646 HD12 LEU 82 2HD1 LEU 82 -15.983 4.881 6.173 647 HD13 LEU 82 3HD1 LEU 82 -16.660 6.107 5.097 648 HD21 LEU 82 3HD2 LEU 82 -13.799 7.247 4.165 649 HD22 LEU 82 1HD2 LEU 82 -15.322 7.064 3.290 650 HD23 LEU 82 2HD2 LEU 82 -13.876 6.248 2.696 651 H ASN 83 H ASN 83 -12.150 1.655 4.493 652 HA ASN 83 HA ASN 83 -9.989 1.974 6.399 653 HB2 ASN 83 2HB ASN 83 -11.213 -0.450 5.039 654 HB3 ASN 83 3HB ASN 83 -9.786 -0.566 6.076 655 HD21 ASN 83 1HD2 ASN 83 -12.931 -1.330 6.413 656 HD22 ASN 83 2HD2 ASN 83 -13.249 -0.662 7.990 657 H ARG 84 H ARG 84 -10.084 1.640 2.897 658 HA ARG 84 HA ARG 84 -7.324 0.852 2.553 659 HB2 ARG 84 2HB ARG 84 -7.681 1.984 0.230 660 HB3 ARG 84 3HB ARG 84 -8.385 0.423 0.620 661 HG2 ARG 84 2HG ARG 84 -10.562 1.299 0.953 662 HG3 ARG 84 3HG ARG 84 -9.921 2.937 0.973 663 HD2 ARG 84 2HD ARG 84 -10.792 2.884 -1.140 664 HD3 ARG 84 3HD ARG 84 -9.132 2.368 -1.451 665 HE ARG 84 HE ARG 84 -11.369 0.407 -1.109 666 HH11 ARG 84 1HH1 ARG 84 -8.791 1.728 -3.265 667 HH12 ARG 84 2HH1 ARG 84 -9.009 0.482 -4.426 668 HH21 ARG 84 1HH2 ARG 84 -11.799 -0.971 -2.776 669 HH22 ARG 84 2HH2 ARG 84 -10.826 -1.051 -4.219 670 H GLU 85 H GLU 85 -8.793 4.135 2.783 671 HA GLU 85 HA GLU 85 -6.172 5.376 2.358 672 HB2 GLU 85 2HB GLU 85 -7.216 7.432 3.018 673 HB3 GLU 85 3HB GLU 85 -8.076 6.630 1.703 674 HG2 GLU 85 2HG GLU 85 -9.805 5.852 3.229 675 HG3 GLU 85 3HG GLU 85 -8.926 6.533 4.613 676 H ALA 86 H ALA 86 -7.805 4.058 5.193 677 HA ALA 86 HA ALA 86 -6.121 5.437 7.075 678 HB1 ALA 86 1HB ALA 86 -6.872 3.635 8.636 679 HB2 ALA 86 2HB ALA 86 -8.208 4.396 7.747 680 HB3 ALA 86 3HB ALA 86 -7.632 2.793 7.269 681 H ALA 87 H ALA 87 -5.588 2.743 4.940 682 HA ALA 87 HA ALA 87 -3.312 1.625 6.384 683 HB1 ALA 87 1HB ALA 87 -4.230 1.163 3.514 684 HB2 ALA 87 2HB ALA 87 -3.090 0.166 4.448 685 HB3 ALA 87 3HB ALA 87 -4.794 0.233 4.900 686 H LEU 88 H LEU 88 -3.810 3.841 3.572 687 HA LEU 88 HA LEU 88 -1.217 3.992 2.727 688 HB2 LEU 88 2HB LEU 88 -1.854 5.718 1.388 689 HB3 LEU 88 3HB LEU 88 -3.406 5.051 1.801 690 HG LEU 88 HG LEU 88 -3.397 6.970 3.659 691 HD11 LEU 88 1HD1 LEU 88 -2.333 8.997 2.863 692 HD12 LEU 88 2HD1 LEU 88 -1.549 8.096 1.546 693 HD13 LEU 88 3HD1 LEU 88 -1.101 7.797 3.241 694 HD21 LEU 88 3HD2 LEU 88 -3.775 7.657 0.712 695 HD22 LEU 88 1HD2 LEU 88 -4.478 8.513 2.106 696 HD23 LEU 88 2HD2 LEU 88 -4.979 6.879 1.741 697 H ALA 89 H ALA 89 -2.722 5.760 5.400 698 HA ALA 89 HA ALA 89 -0.663 7.580 5.930 699 HB1 ALA 89 1HB ALA 89 -1.650 7.722 8.198 700 HB2 ALA 89 2HB ALA 89 -2.901 7.720 6.945 701 HB3 ALA 89 3HB ALA 89 -2.598 6.247 7.886 702 H ARG 90 H ARG 90 -1.165 4.319 7.245 703 HA ARG 90 HA ARG 90 1.078 4.230 8.987 704 HB2 ARG 90 2HB ARG 90 -0.491 2.029 7.582 705 HB3 ARG 90 3HB ARG 90 0.672 1.749 8.883 706 HG2 ARG 90 2HG ARG 90 -0.677 2.946 10.470 707 HG3 ARG 90 3HG ARG 90 -1.771 3.551 9.208 708 HD2 ARG 90 2HD ARG 90 -2.467 1.232 8.709 709 HD3 ARG 90 3HD ARG 90 -1.419 0.648 10.022 710 HE ARG 90 HE ARG 90 -3.687 2.625 10.385 711 HH11 ARG 90 1HH1 ARG 90 -2.063 -0.214 11.704 712 HH12 ARG 90 2HH1 ARG 90 -3.470 -0.861 12.473 713 HH21 ARG 90 1HH2 ARG 90 -5.311 2.150 11.709 714 HH22 ARG 90 2HH2 ARG 90 -5.419 0.712 12.687 715 H LEU 91 H LEU 91 0.725 3.137 5.544 716 HA LEU 91 HA LEU 91 3.302 2.006 5.370 717 HB2 LEU 91 2HB LEU 91 1.547 1.683 3.625 718 HB3 LEU 91 3HB LEU 91 1.645 3.381 3.226 719 HG LEU 91 HG LEU 91 3.948 3.117 2.433 720 HD11 LEU 91 1HD1 LEU 91 4.836 1.370 3.847 721 HD12 LEU 91 2HD1 LEU 91 4.849 0.726 2.206 722 HD13 LEU 91 3HD1 LEU 91 3.577 0.230 3.338 723 HD21 LEU 91 3HD2 LEU 91 1.996 2.637 0.912 724 HD22 LEU 91 1HD2 LEU 91 2.294 0.911 1.196 725 HD23 LEU 91 2HD2 LEU 91 3.540 1.908 0.430 726 H VAL 92 H VAL 92 2.235 5.268 4.524 727 HA VAL 92 HA VAL 92 4.724 6.333 3.739 728 HB VAL 92 HB VAL 92 2.390 7.621 5.190 729 HG11 VAL 92 1HG1 VAL 92 3.139 9.836 4.286 730 HG12 VAL 92 2HG1 VAL 92 4.215 9.192 5.524 731 HG13 VAL 92 3HG1 VAL 92 4.682 9.085 3.820 732 HG21 VAL 92 3HG2 VAL 92 2.030 6.638 2.871 733 HG22 VAL 92 1HG2 VAL 92 1.533 8.303 3.129 734 HG23 VAL 92 2HG2 VAL 92 3.051 7.958 2.270 735 H ALA 93 H ALA 93 3.419 5.823 6.979 736 HA ALA 93 HA ALA 93 5.331 7.456 8.379 737 HB1 ALA 93 1HB ALA 93 3.519 5.252 9.430 738 HB2 ALA 93 2HB ALA 93 4.412 6.440 10.392 739 HB3 ALA 93 3HB ALA 93 3.108 6.978 9.306 740 H MET 94 H MET 94 4.951 3.874 8.189 741 HA MET 94 HA MET 94 7.391 3.330 9.585 742 HB2 MET 94 2HB MET 94 7.178 1.085 8.824 743 HB3 MET 94 3HB MET 94 5.623 1.704 9.392 744 HG2 MET 94 2HG MET 94 5.081 2.137 6.876 745 HG3 MET 94 3HG MET 94 6.484 1.200 6.543 746 HE1 MET 94 3HE MET 94 6.743 -1.370 7.469 747 HE2 MET 94 1HE MET 94 6.178 -0.947 9.106 748 HE3 MET 94 2HE MET 94 5.415 -2.267 8.229 749 H ILE 95 H ILE 95 6.774 3.731 6.020 750 HA ILE 95 HA ILE 95 9.404 3.099 5.216 751 HB ILE 95 HB ILE 95 7.304 5.015 4.140 752 HG12 ILE 95 2HG1 ILE 95 8.396 2.368 3.044 753 HG13 ILE 95 3HG1 ILE 95 6.940 2.512 4.018 754 HG21 ILE 95 1HG2 ILE 95 9.578 5.879 3.433 755 HG22 ILE 95 2HG2 ILE 95 9.913 4.296 2.707 756 HG23 ILE 95 3HG2 ILE 95 8.600 5.326 2.106 757 HD11 ILE 95 3HD1 ILE 95 5.980 4.069 2.282 758 HD12 ILE 95 1HD1 ILE 95 7.378 3.700 1.247 759 HD13 ILE 95 2HD1 ILE 95 6.281 2.411 1.700 760 H LYS 96 H LYS 96 8.029 6.270 6.319 761 HA LYS 96 HA LYS 96 10.515 7.671 6.013 762 HB2 LYS 96 2HB LYS 96 7.995 8.191 7.611 763 HB3 LYS 96 3HB LYS 96 9.380 9.284 7.651 764 HG2 LYS 96 2HG LYS 96 9.192 9.724 5.264 765 HG3 LYS 96 3HG LYS 96 7.842 8.583 5.124 766 HD2 LYS 96 2HD LYS 96 6.519 9.916 6.736 767 HD3 LYS 96 3HD LYS 96 7.906 10.981 6.990 768 HE2 LYS 96 2HE LYS 96 7.759 11.464 4.440 769 HE3 LYS 96 3HE LYS 96 6.134 10.753 4.551 770 HZ1 LYS 96 3HZ LYS 96 7.207 13.107 5.962 771 HZ2 LYS 96 1HZ LYS 96 5.771 12.419 6.402 772 HZ3 LYS 96 2HZ LYS 96 5.955 13.066 4.901 773 H GLU 97 H GLU 97 9.336 5.586 8.645 774 HA GLU 97 HA GLU 97 11.250 6.634 10.625 775 HB2 GLU 97 2HB GLU 97 9.363 4.244 10.530 776 HB3 GLU 97 3HB GLU 97 10.506 4.500 11.846 777 HG2 GLU 97 2HG GLU 97 9.465 6.696 12.338 778 HG3 GLU 97 3HG GLU 97 8.242 6.356 11.107 779 H LEU 98 H LEU 98 10.961 3.893 8.382 780 HA LEU 98 HA LEU 98 13.224 2.417 9.389 781 HB2 LEU 98 2HB LEU 98 11.656 2.300 6.787 782 HB3 LEU 98 3HB LEU 98 12.923 1.175 7.212 783 HG LEU 98 HG LEU 98 10.512 1.608 9.002 784 HD11 LEU 98 1HD1 LEU 98 10.938 -0.456 6.818 785 HD12 LEU 98 2HD1 LEU 98 9.816 0.931 6.811 786 HD13 LEU 98 3HD1 LEU 98 9.567 -0.390 7.970 787 HD21 LEU 98 3HD2 LEU 98 12.876 -0.218 9.004 788 HD22 LEU 98 1HD2 LEU 98 11.325 -0.860 9.581 789 HD23 LEU 98 2HD2 LEU 98 12.027 0.577 10.345 790 H THR 99 H THR 99 12.711 4.386 6.449 791 HA THR 99 HA THR 99 15.372 4.124 5.523 792 HB THR 99 HB THR 99 14.891 6.178 4.157 793 HG1 THR 99 1HG THR 99 12.285 5.990 5.254 794 HG21 THR 99 3HG2 THR 99 14.363 4.048 3.223 795 HG22 THR 99 1HG2 THR 99 13.045 5.160 2.853 796 HG23 THR 99 2HG2 THR 99 12.835 3.946 4.129 797 H THR 100 H THR 100 14.018 6.651 7.680 798 HA THR 100 HA THR 100 16.496 8.122 7.775 799 HB THR 100 HB THR 100 14.152 9.034 8.142 800 HG1 THR 100 1HG THR 100 15.869 10.318 8.627 801 HG21 THR 100 3HG2 THR 100 13.136 8.976 10.296 802 HG22 THR 100 1HG2 THR 100 14.526 8.164 11.032 803 HG23 THR 100 2HG2 THR 100 13.494 7.285 9.896 804 H GLU 101 H GLU 101 17.212 8.570 10.264 805 HA GLU 101 HA GLU 101 18.714 6.273 11.007 806 HB2 GLU 101 2HB GLU 101 18.880 8.942 11.385 807 HB3 GLU 101 3HB GLU 101 18.239 8.505 12.966 808 HG2 GLU 101 2HG GLU 101 20.700 7.320 11.608 809 HG3 GLU 101 3HG GLU 101 20.750 8.661 12.740 810 H LYS 102 H LYS 102 18.534 4.918 12.896 811 HA LYS 102 HA LYS 102 15.717 4.426 13.652 812 HB2 LYS 102 2HB LYS 102 16.465 2.302 14.487 813 HB3 LYS 102 3HB LYS 102 17.039 2.576 12.865 814 HG2 LYS 102 2HG LYS 102 19.281 3.362 14.071 815 HG3 LYS 102 3HG LYS 102 18.605 2.500 15.451 816 HD2 LYS 102 2HD LYS 102 20.025 0.962 14.266 817 HD3 LYS 102 3HD LYS 102 18.357 0.468 13.904 818 HE2 LYS 102 2HE LYS 102 18.454 1.670 11.748 819 HE3 LYS 102 3HE LYS 102 20.064 2.281 12.128 820 HZ1 LYS 102 3HZ LYS 102 20.055 0.357 10.659 821 HZ2 LYS 102 1HZ LYS 102 19.369 -0.578 11.808 822 HZ3 LYS 102 2HZ LYS 102 20.885 0.020 12.039 823 H LYS 103 H LYS 103 14.958 4.553 15.760 824 HA LYS 103 HA LYS 103 16.286 6.515 17.416 825 HB2 LYS 103 2HB LYS 103 13.970 4.600 18.010 826 HB3 LYS 103 3HB LYS 103 14.669 5.659 19.232 827 HG2 LYS 103 2HG LYS 103 12.844 6.857 18.428 828 HG3 LYS 103 3HG LYS 103 14.252 7.634 17.699 829 HD2 LYS 103 2HD LYS 103 13.771 6.350 15.585 830 HD3 LYS 103 3HD LYS 103 12.318 5.679 16.378 831 HE2 LYS 103 2HE LYS 103 11.516 8.038 16.700 832 HE3 LYS 103 3HE LYS 103 12.957 8.601 15.844 833 HZ1 LYS 103 3HZ LYS 103 10.751 6.987 14.786 834 HZ2 LYS 103 1HZ LYS 103 12.187 7.178 13.959 835 HZ3 LYS 103 2HZ LYS 103 11.239 8.494 14.292 836 H ALA 104 H ALA 104 17.885 6.285 18.870 837 HA ALA 104 HA ALA 104 19.300 3.833 19.103 838 HB1 ALA 104 1HB ALA 104 20.361 6.008 19.532 839 HB2 ALA 104 2HB ALA 104 19.278 6.283 20.922 840 HB3 ALA 104 3HB ALA 104 20.466 4.968 20.973 841 H ARG 105 H ARG 105 19.347 2.306 20.749 842 HA ARG 105 HA ARG 105 17.082 2.310 22.716 843 HB2 ARG 105 2HB ARG 105 18.130 0.140 20.860 844 HB3 ARG 105 3HB ARG 105 17.258 -0.283 22.324 845 HG2 ARG 105 2HG ARG 105 15.315 0.986 21.635 846 HG3 ARG 105 3HG ARG 105 16.118 1.550 20.175 847 HD2 ARG 105 2HD ARG 105 15.971 -1.440 20.639 848 HD3 ARG 105 3HD ARG 105 14.491 -0.563 20.208 849 HE ARG 105 HE ARG 105 16.004 0.408 18.335 850 HH11 ARG 105 1HH1 ARG 105 15.927 -3.096 19.179 851 HH12 ARG 105 2HH1 ARG 105 15.753 -3.550 17.525 852 HH21 ARG 105 1HH2 ARG 105 15.724 -0.215 16.302 853 HH22 ARG 105 2HH2 ARG 105 15.672 -1.877 15.800 854 H ARG 106 H ARG 106 17.643 0.283 24.314 855 HA ARG 106 HA ARG 106 19.782 1.276 25.914 856 HB2 ARG 106 2HB ARG 106 18.201 -1.332 25.915 857 HB3 ARG 106 3HB ARG 106 19.522 -1.055 27.048 858 HG2 ARG 106 2HG ARG 106 18.430 0.955 27.926 859 HG3 ARG 106 3HG ARG 106 17.055 0.717 26.825 860 HD2 ARG 106 2HD ARG 106 16.472 -1.382 27.906 861 HD3 ARG 106 3HD ARG 106 17.992 -1.409 28.794 862 HE ARG 106 HE ARG 106 17.192 -0.019 30.378 863 HH11 ARG 106 1HH1 ARG 106 14.893 0.162 27.645 864 HH12 ARG 106 2HH1 ARG 106 13.682 0.974 28.578 865 HH21 ARG 106 1HH2 ARG 106 15.377 0.728 31.641 866 HH22 ARG 106 2HH2 ARG 106 13.914 1.203 30.822 867 HA PRO 107 HA PRO 107 23.255 -0.551 23.938 868 HB2 PRO 107 2HB PRO 107 25.060 -0.852 25.926 869 HB3 PRO 107 3HB PRO 107 24.457 0.752 25.441 870 HG2 PRO 107 2HG PRO 107 23.423 -0.926 27.747 871 HG3 PRO 107 3HG PRO 107 24.008 0.759 27.775 872 HD2 PRO 107 2HD PRO 107 21.369 0.211 27.487 873 HD3 PRO 107 3HD PRO 107 22.117 1.532 26.539 874 H THR 108 H THR 108 22.945 -2.620 23.051 875 HA THR 108 HA THR 108 23.518 -4.899 24.785 876 HB THR 108 HB THR 108 21.103 -4.552 25.011 877 HG1 THR 108 1HG THR 108 20.548 -6.566 24.709 878 HG21 THR 108 3HG2 THR 108 20.523 -3.515 22.855 879 HG22 THR 108 1HG2 THR 108 19.532 -4.938 23.184 880 HG23 THR 108 2HG2 THR 108 20.878 -5.049 22.035 881 H ARG 109 H ARG 109 24.112 -6.776 23.500 882 HA ARG 109 HA ARG 109 25.634 -6.054 21.164 883 HB2 ARG 109 2HB ARG 109 26.210 -7.708 23.058 884 HB3 ARG 109 3HB ARG 109 25.151 -8.861 22.271 885 HG2 ARG 109 2HG ARG 109 27.648 -7.561 21.083 886 HG3 ARG 109 3HG ARG 109 27.549 -9.184 21.750 887 HD2 ARG 109 2HD ARG 109 26.017 -9.897 19.999 888 HD3 ARG 109 3HD ARG 109 25.955 -8.267 19.324 889 HE ARG 109 HE ARG 109 28.160 -10.193 19.133 890 HH11 ARG 109 1HH1 ARG 109 27.416 -6.743 18.672 891 HH12 ARG 109 2HH1 ARG 109 28.217 -6.655 17.146 892 HH21 ARG 109 1HH2 ARG 109 29.439 -9.958 17.270 893 HH22 ARG 109 2HH2 ARG 109 29.577 -8.453 16.447 894 H SER 110 H SER 110 23.796 -5.247 19.938 895 HA SER 110 HA SER 110 22.104 -7.339 18.634 896 HB2 SER 110 2HB SER 110 21.139 -5.404 20.008 897 HB3 SER 110 3HB SER 110 21.703 -4.329 18.740 898 HG SER 110 HG SER 110 19.763 -4.713 18.147 899 H GLY 111 H GLY 111 24.229 -7.841 17.535 900 HA2 GLY 111 2HA GLY 111 25.349 -5.895 15.682 901 HA3 GLY 111 3HA GLY 111 25.795 -7.596 15.849 902 HA PRO 112 HA PRO 112 23.455 -8.272 12.131 903 HB2 PRO 112 2HB PRO 112 22.665 -10.900 12.323 904 HB3 PRO 112 3HB PRO 112 24.359 -10.410 12.044 905 HG2 PRO 112 2HG PRO 112 23.041 -11.137 14.676 906 HG3 PRO 112 3HG PRO 112 24.600 -11.733 14.020 907 HD2 PRO 112 2HD PRO 112 24.491 -9.692 15.819 908 HD3 PRO 112 3HD PRO 112 25.682 -9.679 14.486 909 H SER 113 H SER 113 21.234 -8.721 11.341 910 HA SER 113 HA SER 113 19.094 -8.963 13.317 911 HB2 SER 113 2HB SER 113 19.336 -6.468 11.612 912 HB3 SER 113 3HB SER 113 17.942 -6.906 12.619 913 HG SER 113 HG SER 113 20.286 -7.083 13.988 914 H SER 114 H SER 114 20.398 -9.756 10.317 915 HA SER 114 HA SER 114 17.989 -11.069 9.473 916 HB2 SER 114 2HB SER 114 17.895 -8.783 8.379 917 HB3 SER 114 3HB SER 114 19.448 -9.140 7.596 918 HG SER 114 HG SER 114 17.217 -9.667 6.566 919 H GLY 115 H GLY 115 18.665 -12.873 8.197 920 HA2 GLY 115 2HA GLY 115 21.477 -13.662 8.658 921 HA3 GLY 115 3HA GLY 115 20.171 -14.692 8.058 922 H GLU 116 H GLU 116 22.541 -14.946 6.839 923 HA GLU 116 HA GLU 116 22.598 -13.270 4.406 924 HB2 GLU 116 2HB GLU 116 24.718 -14.163 3.984 925 HB3 GLU 116 3HB GLU 116 24.673 -13.842 5.715 926 HG2 GLU 116 2HG GLU 116 24.173 -16.279 6.113 927 HG3 GLU 116 3HG GLU 116 24.346 -16.577 4.386 928 H ASN 117 H ASN 117 22.598 -14.198 2.277 929 HA ASN 117 HA ASN 117 22.018 -16.843 1.599 930 HB2 ASN 117 2HB ASN 117 19.656 -16.400 0.675 931 HB3 ASN 117 3HB ASN 117 19.803 -16.745 2.377 932 HD21 ASN 117 1HD2 ASN 117 19.953 -13.712 0.325 933 HD22 ASN 117 2HD2 ASN 117 18.830 -12.851 1.355 934 H LEU 118 H LEU 118 21.955 -17.035 -0.712 935 HA LEU 118 HA LEU 118 22.299 -14.544 -2.292 936 HB2 LEU 118 2HB LEU 118 24.083 -15.704 -3.576 937 HB3 LEU 118 3HB LEU 118 24.497 -15.163 -1.961 938 HG LEU 118 HG LEU 118 24.526 -17.383 -1.082 939 HD11 LEU 118 1HD1 LEU 118 23.417 -18.255 -3.777 940 HD12 LEU 118 2HD1 LEU 118 22.734 -18.526 -2.156 941 HD13 LEU 118 3HD1 LEU 118 24.200 -19.374 -2.632 942 HD21 LEU 118 3HD2 LEU 118 26.498 -16.552 -2.311 943 HD22 LEU 118 1HD2 LEU 118 25.914 -17.327 -3.792 944 HD23 LEU 118 2HD2 LEU 118 26.369 -18.314 -2.378 945 H TYR 119 H TYR 119 22.142 -15.015 -4.691 946 HA TYR 119 HA TYR 119 20.151 -17.166 -5.270 947 HB2 TYR 119 2HB TYR 119 20.054 -14.228 -6.035 948 HB3 TYR 119 3HB TYR 119 19.217 -15.456 -6.956 949 HD1 TYR 119 2HD TYR 119 17.756 -17.189 -5.396 950 HD2 TYR 119 1HD TYR 119 18.647 -13.056 -4.549 951 HE1 TYR 119 2HE TYR 119 15.689 -17.021 -4.062 952 HE2 TYR 119 1HE TYR 119 16.600 -12.883 -3.187 953 HH TYR 119 HH TYR 119 14.589 -13.947 -2.624 954 H PHE 120 H PHE 120 20.152 -17.809 -7.512 955 HA PHE 120 HA PHE 120 22.839 -17.983 -8.614 956 HB2 PHE 120 2HB PHE 120 20.910 -19.793 -8.317 957 HB3 PHE 120 3HB PHE 120 20.394 -19.224 -9.883 958 HD1 PHE 120 2HD PHE 120 22.976 -20.939 -7.933 959 HD2 PHE 120 1HD PHE 120 21.914 -19.586 -11.882 960 HE1 PHE 120 2HE PHE 120 24.680 -22.446 -8.894 961 HE2 PHE 120 1HE PHE 120 23.627 -21.090 -12.852 962 HZ PHE 120 HZ PHE 120 25.004 -22.547 -11.366 963 H GLN 121 H GLN 121 22.751 -15.612 -8.880 964 HA GLN 121 HA GLN 121 22.718 -13.706 -10.093 965 HB2 GLN 121 2HB GLN 121 22.819 -15.671 -12.422 966 HB3 GLN 121 3HB GLN 121 23.042 -13.931 -12.565 967 HG2 GLN 121 2HG GLN 121 25.208 -14.812 -12.523 968 HG3 GLN 121 3HG GLN 121 24.950 -14.059 -10.954 969 HE21 GLN 121 1HE2 GLN 121 25.278 -15.341 -9.090 970 HE22 GLN 121 2HE2 GLN 121 25.600 -17.085 -9.206 Start of MODEL 10 1 H1 MET 1 H MET 1 -1.179 8.901 -3.571 2 HA MET 1 HA MET 1 0.476 9.023 -5.407 3 HB2 MET 1 2HB MET 1 0.581 11.874 -4.370 4 HB3 MET 1 3HB MET 1 1.912 11.196 -5.278 5 HG2 MET 1 2HG MET 1 -0.923 11.528 -6.251 6 HG3 MET 1 3HG MET 1 0.506 12.401 -6.791 7 HE1 MET 1 3HE MET 1 2.324 9.183 -6.726 8 HE2 MET 1 1HE MET 1 2.468 9.240 -8.490 9 HE3 MET 1 2HE MET 1 2.745 10.705 -7.529 10 H ILE 2 H ILE 2 0.200 8.957 -2.032 11 HA ILE 2 HA ILE 2 1.658 8.739 -0.329 12 HB ILE 2 HB ILE 2 2.783 6.618 -2.159 13 HG12 ILE 2 2HG1 ILE 2 0.082 6.642 -0.752 14 HG13 ILE 2 3HG1 ILE 2 0.396 6.533 -2.485 15 HG21 ILE 2 1HG2 ILE 2 2.094 6.354 0.778 16 HG22 ILE 2 2HG2 ILE 2 3.171 5.332 -0.196 17 HG23 ILE 2 3HG2 ILE 2 3.670 6.965 0.236 18 HD11 ILE 2 3HD1 ILE 2 1.523 4.278 -2.034 19 HD12 ILE 2 1HD1 ILE 2 0.910 4.410 -0.373 20 HD13 ILE 2 2HD1 ILE 2 -0.225 4.339 -1.728 21 H VAL 3 H VAL 3 2.504 10.873 -1.320 22 HA VAL 3 HA VAL 3 5.203 10.872 -2.378 23 HB VAL 3 HB VAL 3 3.806 12.594 -3.091 24 HG11 VAL 3 1HG1 VAL 3 2.941 14.398 -1.704 25 HG12 VAL 3 2HG1 VAL 3 2.260 12.840 -1.221 26 HG13 VAL 3 3HG1 VAL 3 3.543 13.585 -0.240 27 HG21 VAL 3 3HG2 VAL 3 6.227 13.055 -2.828 28 HG22 VAL 3 1HG2 VAL 3 5.218 14.516 -2.765 29 HG23 VAL 3 2HG2 VAL 3 5.896 13.836 -1.265 30 H ILE 4 H ILE 4 6.726 10.074 -1.286 31 HA ILE 4 HA ILE 4 6.861 10.247 1.650 32 HB ILE 4 HB ILE 4 8.799 8.922 -0.264 33 HG12 ILE 4 2HG1 ILE 4 6.709 7.793 -0.603 34 HG13 ILE 4 3HG1 ILE 4 7.783 6.768 0.299 35 HG21 ILE 4 1HG2 ILE 4 9.512 7.642 1.726 36 HG22 ILE 4 2HG2 ILE 4 9.822 9.362 1.901 37 HG23 ILE 4 3HG2 ILE 4 8.445 8.646 2.743 38 HD11 ILE 4 3HD1 ILE 4 6.569 7.422 2.427 39 HD12 ILE 4 1HD1 ILE 4 5.431 8.347 1.419 40 HD13 ILE 4 2HD1 ILE 4 5.572 6.591 1.237 41 H SER 5 H SER 5 8.694 11.297 -1.299 42 HA SER 5 HA SER 5 9.978 13.466 0.204 43 HB2 SER 5 2HB SER 5 11.387 11.409 0.549 44 HB3 SER 5 3HB SER 5 11.543 11.242 -1.197 45 HG SER 5 HG SER 5 13.343 12.220 -0.270 46 H ARG 6 H ARG 6 11.571 14.523 -1.580 47 HA ARG 6 HA ARG 6 10.000 15.674 -3.565 48 HB2 ARG 6 2HB ARG 6 12.285 16.390 -2.629 49 HB3 ARG 6 3HB ARG 6 13.015 15.326 -3.809 50 HG2 ARG 6 2HG ARG 6 11.344 17.799 -4.276 51 HG3 ARG 6 3HG ARG 6 13.061 17.581 -4.604 52 HD2 ARG 6 2HD ARG 6 12.405 15.884 -6.391 53 HD3 ARG 6 3HD ARG 6 10.728 16.410 -6.184 54 HE ARG 6 HE ARG 6 12.774 17.676 -7.679 55 HH11 ARG 6 1HH1 ARG 6 9.844 18.476 -5.819 56 HH12 ARG 6 2HH1 ARG 6 9.920 20.175 -6.197 57 HH21 ARG 6 1HH2 ARG 6 12.670 19.914 -8.392 58 HH22 ARG 6 2HH2 ARG 6 11.684 21.009 -7.507 59 H HIS 7 H HIS 7 12.535 13.192 -4.178 60 HA HIS 7 HA HIS 7 11.359 12.572 -6.795 61 HB2 HIS 7 2HB HIS 7 13.789 11.253 -5.573 62 HB3 HIS 7 3HB HIS 7 13.415 11.554 -7.268 63 HD1 HIS 7 1HD HIS 7 14.179 14.035 -8.194 64 HD2 HIS 7 2HD HIS 7 14.771 13.258 -4.095 65 HE1 HIS 7 1HE HIS 7 15.533 15.977 -7.262 66 H VAL 8 H VAL 8 9.885 11.719 -4.188 67 HA VAL 8 HA VAL 8 9.687 8.871 -4.935 68 HB VAL 8 HB VAL 8 10.027 9.763 -2.043 69 HG11 VAL 8 1HG1 VAL 8 9.892 7.052 -3.388 70 HG12 VAL 8 2HG1 VAL 8 10.160 7.317 -1.642 71 HG13 VAL 8 3HG1 VAL 8 8.615 7.765 -2.381 72 HG21 VAL 8 3HG2 VAL 8 12.053 8.453 -3.870 73 HG22 VAL 8 1HG2 VAL 8 12.227 10.003 -3.031 74 HG23 VAL 8 2HG2 VAL 8 12.196 8.501 -2.104 75 H ALA 9 H ALA 9 7.589 8.769 -5.572 76 HA ALA 9 HA ALA 9 5.462 9.338 -3.677 77 HB1 ALA 9 1HB ALA 9 4.225 10.764 -5.293 78 HB2 ALA 9 2HB ALA 9 5.723 11.538 -4.771 79 HB3 ALA 9 3HB ALA 9 5.631 10.774 -6.373 80 H ILE 10 H ILE 10 4.529 7.411 -3.679 81 HA ILE 10 HA ILE 10 4.804 5.628 -5.952 82 HB ILE 10 HB ILE 10 3.120 5.022 -3.510 83 HG12 ILE 10 2HG1 ILE 10 6.159 4.835 -3.728 84 HG13 ILE 10 3HG1 ILE 10 5.242 5.824 -2.587 85 HG21 ILE 10 1HG2 ILE 10 4.802 3.294 -5.349 86 HG22 ILE 10 2HG2 ILE 10 3.706 2.720 -4.077 87 HG23 ILE 10 3HG2 ILE 10 3.044 3.524 -5.498 88 HD11 ILE 10 3HD1 ILE 10 4.287 3.688 -1.610 89 HD12 ILE 10 1HD1 ILE 10 5.490 2.822 -2.595 90 HD13 ILE 10 2HD1 ILE 10 6.030 3.963 -1.367 91 HA PRO 11 HA PRO 11 0.927 7.358 -7.592 92 HB2 PRO 11 2HB PRO 11 0.820 6.055 -9.985 93 HB3 PRO 11 3HB PRO 11 2.087 7.251 -9.611 94 HG2 PRO 11 2HG PRO 11 2.287 4.236 -9.306 95 HG3 PRO 11 3HG PRO 11 3.385 5.332 -10.216 96 HD2 PRO 11 2HD PRO 11 3.933 4.612 -7.667 97 HD3 PRO 11 3HD PRO 11 4.234 6.285 -8.243 98 H ASP 12 H ASP 12 0.873 5.042 -5.680 99 HA ASP 12 HA ASP 12 -0.572 3.623 -4.764 100 HB2 ASP 12 2HB ASP 12 -2.000 5.603 -5.235 101 HB3 ASP 12 3HB ASP 12 -2.688 4.729 -6.607 102 H GLY 13 H GLY 13 0.415 3.005 -7.904 103 HA2 GLY 13 2HA GLY 13 -1.272 0.614 -8.321 104 HA3 GLY 13 3HA GLY 13 -0.196 1.379 -9.483 105 H GLU 14 H GLU 14 1.953 1.482 -7.285 106 HA GLU 14 HA GLU 14 3.159 -1.058 -7.935 107 HB2 GLU 14 2HB GLU 14 3.967 1.292 -6.215 108 HB3 GLU 14 3HB GLU 14 5.041 -0.091 -6.490 109 HG2 GLU 14 2HG GLU 14 5.195 0.363 -8.839 110 HG3 GLU 14 3HG GLU 14 3.856 1.496 -8.801 111 H LEU 15 H LEU 15 0.751 -0.563 -5.892 112 HA LEU 15 HA LEU 15 1.634 -2.375 -3.724 113 HB2 LEU 15 2HB LEU 15 -0.771 -0.495 -3.681 114 HB3 LEU 15 3HB LEU 15 -0.077 -1.396 -2.351 115 HG LEU 15 HG LEU 15 2.063 0.096 -2.871 116 HD11 LEU 15 1HD1 LEU 15 -0.195 1.758 -3.928 117 HD12 LEU 15 2HD1 LEU 15 1.288 1.282 -4.798 118 HD13 LEU 15 3HD1 LEU 15 1.399 2.410 -3.462 119 HD21 LEU 15 3HD2 LEU 15 -0.367 1.234 -1.465 120 HD22 LEU 15 1HD2 LEU 15 1.322 1.752 -1.239 121 HD23 LEU 15 2HD2 LEU 15 0.826 0.125 -0.737 122 H GLU 16 H GLU 16 0.001 -3.811 -3.001 123 HA GLU 16 HA GLU 16 -2.046 -4.754 -4.949 124 HB2 GLU 16 2HB GLU 16 -0.274 -6.385 -4.860 125 HB3 GLU 16 3HB GLU 16 -0.115 -6.245 -3.110 126 HG2 GLU 16 2HG GLU 16 -2.380 -7.243 -2.806 127 HG3 GLU 16 3HG GLU 16 -2.563 -7.349 -4.559 128 H ILE 17 H ILE 17 -3.882 -3.829 -4.094 129 HA ILE 17 HA ILE 17 -4.198 -3.751 -1.136 130 HB ILE 17 HB ILE 17 -5.316 -2.041 -3.359 131 HG12 ILE 17 2HG1 ILE 17 -3.943 -1.022 -0.854 132 HG13 ILE 17 3HG1 ILE 17 -2.924 -1.752 -2.081 133 HG21 ILE 17 1HG2 ILE 17 -6.544 -0.777 -1.601 134 HG22 ILE 17 2HG2 ILE 17 -7.154 -2.417 -1.795 135 HG23 ILE 17 3HG2 ILE 17 -6.099 -2.029 -0.417 136 HD11 ILE 17 3HD1 ILE 17 -4.856 0.492 -2.706 137 HD12 ILE 17 1HD1 ILE 17 -3.122 0.702 -2.338 138 HD13 ILE 17 2HD1 ILE 17 -3.622 -0.218 -3.766 139 H THR 18 H THR 18 -5.522 -5.127 -0.332 140 HA THR 18 HA THR 18 -7.583 -6.431 -2.044 141 HB THR 18 HB THR 18 -6.970 -8.315 -0.113 142 HG1 THR 18 1HG THR 18 -4.466 -8.196 -1.010 143 HG21 THR 18 3HG2 THR 18 -5.933 -8.135 -2.952 144 HG22 THR 18 1HG2 THR 18 -7.504 -8.763 -2.400 145 HG23 THR 18 2HG2 THR 18 -6.017 -9.622 -1.958 146 H ALA 19 H ALA 19 -9.442 -7.189 -1.097 147 HA ALA 19 HA ALA 19 -10.181 -5.753 1.359 148 HB1 ALA 19 1HB ALA 19 -12.470 -6.629 0.828 149 HB2 ALA 19 2HB ALA 19 -11.772 -5.786 -0.574 150 HB3 ALA 19 3HB ALA 19 -11.788 -7.562 -0.515 151 H ILE 20 H ILE 20 -10.649 -6.699 3.320 152 HA ILE 20 HA ILE 20 -10.295 -9.627 3.549 153 HB ILE 20 HB ILE 20 -9.090 -9.013 5.736 154 HG12 ILE 20 2HG1 ILE 20 -8.157 -6.590 4.163 155 HG13 ILE 20 3HG1 ILE 20 -9.351 -6.537 5.441 156 HG21 ILE 20 1HG2 ILE 20 -8.208 -10.243 3.824 157 HG22 ILE 20 2HG2 ILE 20 -7.698 -8.694 3.091 158 HG23 ILE 20 3HG2 ILE 20 -6.961 -9.275 4.618 159 HD11 ILE 20 3HD1 ILE 20 -7.708 -7.486 7.053 160 HD12 ILE 20 1HD1 ILE 20 -6.469 -7.424 5.777 161 HD13 ILE 20 2HD1 ILE 20 -7.203 -5.929 6.373 162 H ARG 21 H ARG 21 -11.699 -10.560 4.857 163 HA ARG 21 HA ARG 21 -13.235 -8.928 6.699 164 HB2 ARG 21 2HB ARG 21 -14.456 -8.758 4.531 165 HB3 ARG 21 3HB ARG 21 -14.689 -10.503 4.553 166 HG2 ARG 21 2HG ARG 21 -15.585 -8.950 6.965 167 HG3 ARG 21 3HG ARG 21 -16.487 -8.718 5.478 168 HD2 ARG 21 2HD ARG 21 -17.064 -11.061 5.337 169 HD3 ARG 21 3HD ARG 21 -15.949 -11.460 6.645 170 HE ARG 21 HE ARG 21 -17.599 -11.094 8.119 171 HH11 ARG 21 1HH1 ARG 21 -18.570 -9.346 5.168 172 HH12 ARG 21 2HH1 ARG 21 -19.822 -8.455 5.926 173 HH21 ARG 21 1HH2 ARG 21 -19.318 -9.897 9.155 174 HH22 ARG 21 2HH2 ARG 21 -20.353 -8.918 8.161 175 H ALA 22 H ALA 22 -12.652 -9.946 8.443 176 HA ALA 22 HA ALA 22 -12.257 -12.820 8.537 177 HB1 ALA 22 1HB ALA 22 -10.921 -11.171 9.873 178 HB2 ALA 22 2HB ALA 22 -12.402 -10.745 10.769 179 HB3 ALA 22 3HB ALA 22 -11.710 -12.381 10.883 180 H GLN 23 H GLN 23 -13.424 -14.075 10.345 181 HA GLN 23 HA GLN 23 -16.311 -13.941 9.867 182 HB2 GLN 23 2HB GLN 23 -14.478 -15.761 11.468 183 HB3 GLN 23 3HB GLN 23 -16.232 -15.977 11.460 184 HG2 GLN 23 2HG GLN 23 -16.331 -16.470 9.158 185 HG3 GLN 23 3HG GLN 23 -14.729 -15.828 8.839 186 HE21 GLN 23 1HE2 GLN 23 -15.940 -18.584 8.345 187 HE22 GLN 23 2HE2 GLN 23 -14.749 -19.677 9.032 188 H GLY 24 H GLY 24 -17.813 -14.189 11.829 189 HA2 GLY 24 2HA GLY 24 -16.964 -12.709 14.224 190 HA3 GLY 24 3HA GLY 24 -18.290 -12.044 13.239 191 H ALA 25 H ALA 25 -17.307 -14.427 15.554 192 HA ALA 25 HA ALA 25 -19.405 -16.305 15.370 193 HB1 ALA 25 1HB ALA 25 -17.382 -16.694 16.732 194 HB2 ALA 25 2HB ALA 25 -17.875 -15.413 17.862 195 HB3 ALA 25 3HB ALA 25 -18.850 -16.880 17.703 196 H GLY 26 H GLY 26 -21.288 -16.512 16.847 197 HA2 GLY 26 2HA GLY 26 -22.853 -14.137 16.710 198 HA3 GLY 26 3HA GLY 26 -23.329 -15.663 17.449 199 H GLY 27 H GLY 27 -24.046 -13.113 18.367 200 HA2 GLY 27 2HA GLY 27 -24.440 -12.430 20.573 201 HA3 GLY 27 3HA GLY 27 -22.912 -13.141 21.095 202 H GLN 28 H GLN 28 -20.891 -12.077 20.293 203 HA GLN 28 HA GLN 28 -21.167 -9.175 20.473 204 HB2 GLN 28 2HB GLN 28 -19.680 -10.483 21.892 205 HB3 GLN 28 3HB GLN 28 -18.672 -10.919 20.525 206 HG2 GLN 28 2HG GLN 28 -19.226 -8.020 21.288 207 HG3 GLN 28 3HG GLN 28 -17.973 -8.958 22.080 208 HE21 GLN 28 1HE2 GLN 28 -16.206 -9.867 20.676 209 HE22 GLN 28 2HE2 GLN 28 -15.719 -8.891 19.293 210 H HIS 29 H HIS 29 -18.837 -11.014 18.412 211 HA HIS 29 HA HIS 29 -18.526 -8.802 16.690 212 HB2 HIS 29 2HB HIS 29 -16.904 -10.725 17.313 213 HB3 HIS 29 3HB HIS 29 -17.633 -11.567 15.947 214 HD1 HIS 29 1HD HIS 29 -16.135 -11.059 13.720 215 HD2 HIS 29 2HD HIS 29 -16.159 -7.998 16.645 216 HE1 HIS 29 1HE HIS 29 -14.665 -9.241 12.850 217 H VAL 30 H VAL 30 -21.203 -10.608 16.724 218 HA VAL 30 HA VAL 30 -21.723 -11.283 14.026 219 HB VAL 30 HB VAL 30 -22.919 -12.180 15.895 220 HG11 VAL 30 1HG1 VAL 30 -24.391 -9.599 16.473 221 HG12 VAL 30 2HG1 VAL 30 -24.322 -11.090 17.403 222 HG13 VAL 30 3HG1 VAL 30 -22.917 -10.046 17.363 223 HG21 VAL 30 3HG2 VAL 30 -25.186 -12.036 15.140 224 HG22 VAL 30 1HG2 VAL 30 -24.895 -10.507 14.290 225 HG23 VAL 30 2HG2 VAL 30 -24.130 -12.004 13.718 226 H ASN 31 H ASN 31 -22.758 -8.390 15.902 227 HA ASN 31 HA ASN 31 -23.737 -7.033 13.532 228 HB2 ASN 31 2HB ASN 31 -23.279 -6.118 16.405 229 HB3 ASN 31 3HB ASN 31 -23.944 -5.083 15.145 230 HD21 ASN 31 1HD2 ASN 31 -24.952 -7.148 17.671 231 HD22 ASN 31 2HD2 ASN 31 -26.577 -7.273 17.058 232 H LYS 32 H LYS 32 -20.607 -7.277 15.014 233 HA LYS 32 HA LYS 32 -19.554 -4.758 13.929 234 HB2 LYS 32 2HB LYS 32 -18.400 -7.088 15.452 235 HB3 LYS 32 3HB LYS 32 -17.330 -5.968 14.644 236 HG2 LYS 32 2HG LYS 32 -19.448 -5.026 16.604 237 HG3 LYS 32 3HG LYS 32 -17.850 -5.557 17.129 238 HD2 LYS 32 2HD LYS 32 -18.404 -3.200 15.271 239 HD3 LYS 32 3HD LYS 32 -17.976 -3.140 16.982 240 HE2 LYS 32 2HE LYS 32 -15.881 -4.597 16.163 241 HE3 LYS 32 3HE LYS 32 -16.239 -3.810 14.613 242 HZ1 LYS 32 3HZ LYS 32 -14.685 -2.479 15.854 243 HZ2 LYS 32 1HZ LYS 32 -15.630 -2.530 17.195 244 HZ3 LYS 32 2HZ LYS 32 -16.111 -1.665 15.865 245 H THR 33 H THR 33 -19.650 -4.790 11.661 246 HA THR 33 HA THR 33 -18.951 -7.222 10.227 247 HB THR 33 HB THR 33 -20.502 -5.564 9.287 248 HG1 THR 33 1HG THR 33 -19.445 -5.438 7.225 249 HG21 THR 33 3HG2 THR 33 -19.471 -3.475 10.108 250 HG22 THR 33 1HG2 THR 33 -19.700 -3.446 8.357 251 HG23 THR 33 2HG2 THR 33 -18.083 -3.730 9.024 252 H SER 34 H SER 34 -16.986 -7.284 8.791 253 HA SER 34 HA SER 34 -14.647 -5.942 10.065 254 HB2 SER 34 2HB SER 34 -14.987 -8.350 10.656 255 HB3 SER 34 3HB SER 34 -14.738 -8.781 8.971 256 HG SER 34 HG SER 34 -12.818 -7.225 10.353 257 H THR 35 H THR 35 -15.559 -4.383 8.272 258 HA THR 35 HA THR 35 -14.817 -5.063 5.539 259 HB THR 35 HB THR 35 -15.295 -2.352 5.559 260 HG1 THR 35 1HG THR 35 -15.595 -2.506 7.922 261 HG21 THR 35 3HG2 THR 35 -16.390 -3.905 4.207 262 HG22 THR 35 1HG2 THR 35 -17.639 -2.981 5.083 263 HG23 THR 35 2HG2 THR 35 -17.239 -4.646 5.587 264 H ALA 36 H ALA 36 -12.467 -5.682 6.481 265 HA ALA 36 HA ALA 36 -10.888 -3.205 6.953 266 HB1 ALA 36 1HB ALA 36 -10.329 -6.189 7.256 267 HB2 ALA 36 2HB ALA 36 -9.171 -4.880 7.629 268 HB3 ALA 36 3HB ALA 36 -10.708 -5.060 8.523 269 H ILE 37 H ILE 37 -8.722 -3.096 5.945 270 HA ILE 37 HA ILE 37 -8.698 -4.129 3.153 271 HB ILE 37 HB ILE 37 -8.165 -1.285 4.080 272 HG12 ILE 37 2HG1 ILE 37 -10.452 -1.743 3.313 273 HG13 ILE 37 3HG1 ILE 37 -9.592 -0.677 2.211 274 HG21 ILE 37 1HG2 ILE 37 -7.340 -0.931 1.656 275 HG22 ILE 37 2HG2 ILE 37 -6.217 -1.702 2.779 276 HG23 ILE 37 3HG2 ILE 37 -7.112 -2.672 1.587 277 HD11 ILE 37 3HD1 ILE 37 -10.872 -2.181 0.880 278 HD12 ILE 37 1HD1 ILE 37 -9.190 -2.663 0.677 279 HD13 ILE 37 2HD1 ILE 37 -10.257 -3.600 1.742 280 H HIS 38 H HIS 38 -6.868 -4.824 2.452 281 HA HIS 38 HA HIS 38 -4.589 -5.127 4.322 282 HB2 HIS 38 2HB HIS 38 -5.895 -7.182 3.629 283 HB3 HIS 38 3HB HIS 38 -5.563 -6.786 1.954 284 HD1 HIS 38 1HD HIS 38 -3.030 -7.317 1.097 285 HD2 HIS 38 2HD HIS 38 -4.019 -8.272 5.086 286 HE1 HIS 38 1HE HIS 38 -1.179 -8.869 1.985 287 H LEU 39 H LEU 39 -2.781 -4.097 3.571 288 HA LEU 39 HA LEU 39 -2.691 -3.179 0.726 289 HB2 LEU 39 2HB LEU 39 -3.191 -1.276 2.121 290 HB3 LEU 39 3HB LEU 39 -1.920 -1.690 3.272 291 HG LEU 39 HG LEU 39 -1.134 -1.299 0.374 292 HD11 LEU 39 1HD1 LEU 39 -0.912 1.205 0.816 293 HD12 LEU 39 2HD1 LEU 39 -2.056 0.976 2.154 294 HD13 LEU 39 3HD1 LEU 39 -2.526 0.567 0.518 295 HD21 LEU 39 3HD2 LEU 39 0.264 -1.456 2.934 296 HD22 LEU 39 1HD2 LEU 39 0.635 0.079 2.151 297 HD23 LEU 39 2HD2 LEU 39 0.919 -1.458 1.300 298 H ARG 40 H ARG 40 -0.998 -4.086 -0.268 299 HA ARG 40 HA ARG 40 1.319 -4.884 1.386 300 HB2 ARG 40 2HB ARG 40 0.099 -6.887 0.822 301 HB3 ARG 40 3HB ARG 40 -0.080 -6.373 -0.864 302 HG2 ARG 40 2HG ARG 40 2.351 -6.496 -1.199 303 HG3 ARG 40 3HG ARG 40 2.572 -6.927 0.509 304 HD2 ARG 40 2HD ARG 40 0.785 -8.543 -1.296 305 HD3 ARG 40 3HD ARG 40 2.541 -8.739 -1.388 306 HE ARG 40 HE ARG 40 2.540 -9.320 1.004 307 HH11 ARG 40 1HH1 ARG 40 -0.253 -10.150 -1.083 308 HH12 ARG 40 2HH1 ARG 40 -0.633 -11.568 -0.148 309 HH21 ARG 40 1HH2 ARG 40 1.998 -11.036 2.175 310 HH22 ARG 40 2HH2 ARG 40 0.588 -12.018 1.896 311 H PHE 41 H PHE 41 3.260 -4.199 0.500 312 HA PHE 41 HA PHE 41 3.241 -2.885 -2.203 313 HB2 PHE 41 2HB PHE 41 3.040 -1.086 -0.664 314 HB3 PHE 41 3HB PHE 41 4.219 -1.781 0.443 315 HD1 PHE 41 2HD PHE 41 3.946 -0.636 -3.147 316 HD2 PHE 41 1HD PHE 41 6.518 -1.246 0.253 317 HE1 PHE 41 2HE PHE 41 5.707 0.661 -4.267 318 HE2 PHE 41 1HE PHE 41 8.341 -0.079 -0.946 319 HZ PHE 41 HZ PHE 41 7.894 0.982 -3.139 320 H ASP 42 H ASP 42 4.660 -4.215 -3.348 321 HA ASP 42 HA ASP 42 6.839 -5.640 -1.930 322 HB2 ASP 42 2HB ASP 42 5.494 -6.962 -3.458 323 HB3 ASP 42 3HB ASP 42 5.814 -5.853 -4.778 324 H ILE 43 H ILE 43 8.640 -4.538 -1.669 325 HA ILE 43 HA ILE 43 9.187 -1.992 -2.807 326 HB ILE 43 HB ILE 43 10.862 -4.092 -1.395 327 HG12 ILE 43 2HG1 ILE 43 10.456 -1.368 -0.216 328 HG13 ILE 43 3HG1 ILE 43 8.958 -2.283 -0.439 329 HG21 ILE 43 1HG2 ILE 43 12.616 -2.368 -1.045 330 HG22 ILE 43 2HG2 ILE 43 12.480 -2.925 -2.715 331 HG23 ILE 43 3HG2 ILE 43 11.791 -1.347 -2.259 332 HD11 ILE 43 3HD1 ILE 43 11.370 -3.373 1.038 333 HD12 ILE 43 1HD1 ILE 43 9.848 -2.768 1.767 334 HD13 ILE 43 2HD1 ILE 43 9.820 -4.190 0.755 335 H ARG 44 H ARG 44 10.162 -5.278 -3.836 336 HA ARG 44 HA ARG 44 11.972 -4.247 -5.913 337 HB2 ARG 44 2HB ARG 44 10.608 -6.955 -5.669 338 HB3 ARG 44 3HB ARG 44 11.708 -6.497 -6.954 339 HG2 ARG 44 2HG ARG 44 13.197 -7.507 -5.685 340 HG3 ARG 44 3HG ARG 44 13.367 -5.910 -4.967 341 HD2 ARG 44 2HD ARG 44 12.191 -6.582 -3.001 342 HD3 ARG 44 3HD ARG 44 11.443 -7.966 -3.820 343 HE ARG 44 HE ARG 44 14.403 -7.782 -3.454 344 HH11 ARG 44 1HH1 ARG 44 11.525 -9.707 -2.903 345 HH12 ARG 44 2HH1 ARG 44 12.282 -11.241 -3.093 346 HH21 ARG 44 1HH2 ARG 44 15.524 -9.676 -3.406 347 HH22 ARG 44 2HH2 ARG 44 14.685 -11.210 -3.425 348 H ALA 45 H ALA 45 8.518 -4.707 -5.774 349 HA ALA 45 HA ALA 45 8.152 -4.530 -8.676 350 HB1 ALA 45 1HB ALA 45 6.637 -5.860 -7.209 351 HB2 ALA 45 2HB ALA 45 6.184 -4.354 -6.359 352 HB3 ALA 45 3HB ALA 45 5.765 -4.550 -8.051 353 H SER 46 H SER 46 9.086 -2.265 -6.420 354 HA SER 46 HA SER 46 7.290 -0.173 -7.427 355 HB2 SER 46 2HB SER 46 7.912 1.056 -5.525 356 HB3 SER 46 3HB SER 46 7.719 -0.623 -5.003 357 HG SER 46 HG SER 46 9.950 -0.847 -4.991 358 H SER 47 H SER 47 8.209 1.972 -7.622 359 HA SER 47 HA SER 47 10.557 2.091 -9.441 360 HB2 SER 47 2HB SER 47 8.225 2.596 -10.211 361 HB3 SER 47 3HB SER 47 8.155 3.882 -9.015 362 HG SER 47 HG SER 47 8.649 4.374 -11.270 363 H LEU 48 H LEU 48 10.310 2.144 -6.308 364 HA LEU 48 HA LEU 48 10.980 4.763 -5.380 365 HB2 LEU 48 2HB LEU 48 11.576 1.943 -4.343 366 HB3 LEU 48 3HB LEU 48 12.026 3.374 -3.449 367 HG LEU 48 HG LEU 48 9.182 2.524 -4.102 368 HD11 LEU 48 1HD1 LEU 48 10.854 2.620 -1.530 369 HD12 LEU 48 2HD1 LEU 48 10.280 1.169 -2.373 370 HD13 LEU 48 3HD1 LEU 48 9.113 2.250 -1.605 371 HD21 LEU 48 3HD2 LEU 48 8.506 4.357 -2.567 372 HD22 LEU 48 1HD2 LEU 48 9.228 4.937 -4.054 373 HD23 LEU 48 2HD2 LEU 48 10.198 4.932 -2.550 374 HA PRO 49 HA PRO 49 15.253 5.044 -6.501 375 HB2 PRO 49 2HB PRO 49 16.387 6.253 -4.289 376 HB3 PRO 49 3HB PRO 49 15.356 7.115 -5.449 377 HG2 PRO 49 2HG PRO 49 14.607 5.912 -2.825 378 HG3 PRO 49 3HG PRO 49 14.214 7.551 -3.429 379 HD2 PRO 49 2HD PRO 49 12.408 5.545 -3.602 380 HD3 PRO 49 3HD PRO 49 12.615 6.657 -4.985 381 H GLU 50 H GLU 50 17.233 3.887 -6.156 382 HA GLU 50 HA GLU 50 17.044 1.412 -4.933 383 HB2 GLU 50 2HB GLU 50 19.486 1.250 -5.098 384 HB3 GLU 50 3HB GLU 50 18.725 1.768 -6.589 385 HG2 GLU 50 2HG GLU 50 19.632 3.945 -6.455 386 HG3 GLU 50 3HG GLU 50 19.884 3.857 -4.710 387 H TYR 51 H TYR 51 18.365 4.421 -3.395 388 HA TYR 51 HA TYR 51 19.420 3.072 -1.129 389 HB2 TYR 51 2HB TYR 51 19.888 5.423 -1.712 390 HB3 TYR 51 3HB TYR 51 18.222 5.861 -1.319 391 HD1 TYR 51 1HD TYR 51 21.365 4.399 0.108 392 HD2 TYR 51 2HD TYR 51 17.647 6.438 0.962 393 HE1 TYR 51 1HE TYR 51 22.095 4.761 2.448 394 HE2 TYR 51 2HE TYR 51 18.377 6.801 3.286 395 HH TYR 51 HH TYR 51 20.442 6.916 4.598 396 H TYR 52 H TYR 52 16.109 4.227 -1.875 397 HA TYR 52 HA TYR 52 15.122 3.586 0.781 398 HB2 TYR 52 2HB TYR 52 13.628 4.108 -1.803 399 HB3 TYR 52 3HB TYR 52 12.857 3.655 -0.339 400 HD1 TYR 52 2HD TYR 52 15.856 6.044 -0.491 401 HD2 TYR 52 1HD TYR 52 11.558 5.754 -0.107 402 HE1 TYR 52 2HE TYR 52 15.793 8.316 0.229 403 HE2 TYR 52 1HE TYR 52 11.509 8.085 0.681 404 HH TYR 52 HH TYR 52 14.485 10.120 0.654 405 H LYS 53 H LYS 53 15.302 1.916 -2.400 406 HA LYS 53 HA LYS 53 13.776 -0.354 -1.720 407 HB2 LYS 53 2HB LYS 53 16.341 -0.300 -3.389 408 HB3 LYS 53 3HB LYS 53 15.236 -1.632 -3.322 409 HG2 LYS 53 2HG LYS 53 14.332 1.100 -4.326 410 HG3 LYS 53 3HG LYS 53 15.214 -0.039 -5.329 411 HD2 LYS 53 2HD LYS 53 13.332 -1.748 -4.528 412 HD3 LYS 53 3HD LYS 53 12.442 -0.255 -4.185 413 HE2 LYS 53 2HE LYS 53 11.858 -0.947 -6.404 414 HE3 LYS 53 3HE LYS 53 12.935 0.463 -6.565 415 HZ1 LYS 53 3HZ LYS 53 13.916 -2.330 -6.755 416 HZ2 LYS 53 1HZ LYS 53 14.711 -0.962 -7.130 417 HZ3 LYS 53 2HZ LYS 53 13.441 -1.428 -8.058 418 H GLU 54 H GLU 54 17.338 0.067 -1.386 419 HA GLU 54 HA GLU 54 17.673 -2.372 0.028 420 HB2 GLU 54 2HB GLU 54 19.458 0.092 0.163 421 HB3 GLU 54 3HB GLU 54 19.859 -1.579 0.617 422 HG2 GLU 54 2HG GLU 54 19.067 -2.126 -1.840 423 HG3 GLU 54 3HG GLU 54 19.427 -0.431 -2.152 424 H ARG 55 H ARG 55 16.918 0.895 1.226 425 HA ARG 55 HA ARG 55 17.389 0.216 4.015 426 HB2 ARG 55 2HB ARG 55 16.115 2.524 2.595 427 HB3 ARG 55 3HB ARG 55 15.410 2.141 4.151 428 HG2 ARG 55 2HG ARG 55 17.215 3.756 4.509 429 HG3 ARG 55 3HG ARG 55 17.664 2.201 5.213 430 HD2 ARG 55 2HD ARG 55 18.760 1.825 2.836 431 HD3 ARG 55 3HD ARG 55 18.690 3.567 2.715 432 HE ARG 55 HE ARG 55 20.142 3.759 4.642 433 HH11 ARG 55 1HH1 ARG 55 20.031 0.498 3.173 434 HH12 ARG 55 2HH1 ARG 55 21.572 0.043 3.805 435 HH21 ARG 55 1HH2 ARG 55 22.183 3.071 5.520 436 HH22 ARG 55 2HH2 ARG 55 22.884 1.633 4.871 437 H LEU 56 H LEU 56 14.440 0.171 2.040 438 HA LEU 56 HA LEU 56 12.826 -0.861 4.206 439 HB2 LEU 56 2HB LEU 56 12.407 -0.947 1.208 440 HB3 LEU 56 3HB LEU 56 11.190 -1.269 2.469 441 HG LEU 56 HG LEU 56 12.487 1.417 1.917 442 HD11 LEU 56 1HD1 LEU 56 10.949 0.806 0.199 443 HD12 LEU 56 2HD1 LEU 56 10.156 1.992 1.235 444 HD13 LEU 56 3HD1 LEU 56 9.727 0.294 1.384 445 HD21 LEU 56 3HD2 LEU 56 10.848 2.322 3.496 446 HD22 LEU 56 1HD2 LEU 56 12.135 1.352 4.224 447 HD23 LEU 56 2HD2 LEU 56 10.494 0.663 4.027 448 H LEU 57 H LEU 57 14.801 -2.425 1.628 449 HA LEU 57 HA LEU 57 13.770 -5.083 2.108 450 HB2 LEU 57 2HB LEU 57 16.212 -3.899 0.768 451 HB3 LEU 57 3HB LEU 57 16.236 -5.605 1.139 452 HG LEU 57 HG LEU 57 13.864 -4.447 -0.345 453 HD11 LEU 57 1HD1 LEU 57 15.854 -3.747 -1.612 454 HD12 LEU 57 2HD1 LEU 57 14.996 -5.041 -2.478 455 HD13 LEU 57 3HD1 LEU 57 16.491 -5.397 -1.575 456 HD21 LEU 57 3HD2 LEU 57 13.848 -6.808 0.615 457 HD22 LEU 57 1HD2 LEU 57 15.187 -7.201 -0.467 458 HD23 LEU 57 2HD2 LEU 57 13.618 -6.712 -1.137 459 H ALA 58 H ALA 58 16.280 -3.083 3.557 460 HA ALA 58 HA ALA 58 17.318 -5.233 5.268 461 HB1 ALA 58 1HB ALA 58 18.040 -2.276 5.039 462 HB2 ALA 58 2HB ALA 58 18.937 -3.502 5.946 463 HB3 ALA 58 3HB ALA 58 18.855 -3.605 4.178 464 H ALA 59 H ALA 59 14.584 -3.382 5.396 465 HA ALA 59 HA ALA 59 14.646 -2.246 8.006 466 HB1 ALA 59 1HB ALA 59 12.153 -2.226 7.688 467 HB2 ALA 59 2HB ALA 59 13.038 -1.585 6.274 468 HB3 ALA 59 3HB ALA 59 12.350 -3.234 6.270 469 H SER 60 H SER 60 13.632 -2.986 9.927 470 HA SER 60 HA SER 60 13.058 -5.895 10.122 471 HB2 SER 60 2HB SER 60 15.340 -5.160 10.952 472 HB3 SER 60 3HB SER 60 14.501 -4.212 12.194 473 HG SER 60 HG SER 60 14.775 -6.994 11.882 474 H HIS 61 H HIS 61 10.861 -5.504 9.929 475 HA HIS 61 HA HIS 61 9.561 -4.176 12.214 476 HB2 HIS 61 2HB HIS 61 9.577 -2.849 9.817 477 HB3 HIS 61 3HB HIS 61 8.291 -3.950 9.489 478 HD1 HIS 61 1HD HIS 61 6.460 -3.936 12.031 479 HD2 HIS 61 2HD HIS 61 8.517 -0.582 10.467 480 HE1 HIS 61 1HE HIS 61 5.133 -1.923 12.678 481 H HIS 62 H HIS 62 7.826 -5.470 12.927 482 HA HIS 62 HA HIS 62 7.515 -8.104 12.021 483 HB2 HIS 62 2HB HIS 62 5.493 -8.122 13.401 484 HB3 HIS 62 3HB HIS 62 6.821 -7.323 14.234 485 HD1 HIS 62 1HD HIS 62 6.513 -4.622 14.669 486 HD2 HIS 62 2HD HIS 62 3.283 -6.719 12.932 487 HE1 HIS 62 1HE HIS 62 4.502 -3.080 14.801 488 H LEU 63 H LEU 63 6.254 -5.214 10.647 489 HA LEU 63 HA LEU 63 3.989 -6.388 9.219 490 HB2 LEU 63 2HB LEU 63 5.352 -3.672 9.207 491 HB3 LEU 63 3HB LEU 63 3.908 -4.030 8.263 492 HG LEU 63 HG LEU 63 4.122 -4.000 11.292 493 HD11 LEU 63 1HD1 LEU 63 4.214 -1.756 10.220 494 HD12 LEU 63 2HD1 LEU 63 2.735 -1.987 11.169 495 HD13 LEU 63 3HD1 LEU 63 2.700 -2.100 9.383 496 HD21 LEU 63 3HD2 LEU 63 1.629 -4.246 9.582 497 HD22 LEU 63 1HD2 LEU 63 1.698 -4.228 11.364 498 HD23 LEU 63 2HD2 LEU 63 2.364 -5.610 10.487 499 H ILE 64 H ILE 64 7.452 -6.297 8.614 500 HA ILE 64 HA ILE 64 6.926 -6.354 5.690 501 HB ILE 64 HB ILE 64 9.421 -5.685 7.295 502 HG12 ILE 64 2HG1 ILE 64 7.510 -3.990 5.629 503 HG13 ILE 64 3HG1 ILE 64 7.610 -3.955 7.365 504 HG21 ILE 64 1HG2 ILE 64 10.463 -5.088 5.126 505 HG22 ILE 64 2HG2 ILE 64 10.028 -6.774 5.151 506 HG23 ILE 64 3HG2 ILE 64 9.001 -5.627 4.262 507 HD11 ILE 64 3HD1 ILE 64 8.713 -2.069 6.490 508 HD12 ILE 64 1HD1 ILE 64 9.895 -3.143 7.289 509 HD13 ILE 64 2HD1 ILE 64 9.807 -3.038 5.502 510 H SER 65 H SER 65 7.543 -8.034 4.512 511 HA SER 65 HA SER 65 8.254 -10.587 5.845 512 HB2 SER 65 2HB SER 65 7.429 -9.853 2.990 513 HB3 SER 65 3HB SER 65 7.690 -11.501 3.581 514 HG SER 65 HG SER 65 6.031 -11.250 5.019 515 H SER 66 H SER 66 10.199 -11.700 5.208 516 HA SER 66 HA SER 66 12.450 -10.140 4.671 517 HB2 SER 66 2HB SER 66 12.190 -13.120 4.157 518 HB3 SER 66 3HB SER 66 13.654 -12.209 4.582 519 HG SER 66 HG SER 66 11.415 -12.910 6.142 520 H ASP 67 H ASP 67 10.152 -11.182 2.323 521 HA ASP 67 HA ASP 67 12.021 -11.225 0.080 522 HB2 ASP 67 2HB ASP 67 9.892 -12.633 0.351 523 HB3 ASP 67 3HB ASP 67 8.984 -11.166 -0.013 524 H GLY 68 H GLY 68 11.177 -8.739 1.917 525 HA2 GLY 68 2HA GLY 68 11.271 -6.477 1.579 526 HA3 GLY 68 3HA GLY 68 11.639 -6.763 -0.145 527 H VAL 69 H VAL 69 8.865 -7.579 2.000 528 HA VAL 69 HA VAL 69 7.091 -6.075 0.156 529 HB VAL 69 HB VAL 69 6.634 -8.891 1.240 530 HG11 VAL 69 1HG1 VAL 69 4.892 -7.138 -0.529 531 HG12 VAL 69 2HG1 VAL 69 4.599 -8.852 -0.150 532 HG13 VAL 69 3HG1 VAL 69 4.553 -7.653 1.148 533 HG21 VAL 69 3HG2 VAL 69 6.597 -9.561 -1.139 534 HG22 VAL 69 1HG2 VAL 69 7.141 -7.939 -1.604 535 HG23 VAL 69 2HG2 VAL 69 8.187 -8.995 -0.645 536 H ILE 70 H ILE 70 6.006 -4.604 1.339 537 HA ILE 70 HA ILE 70 5.932 -4.818 4.302 538 HB ILE 70 HB ILE 70 5.014 -2.535 2.485 539 HG12 ILE 70 2HG1 ILE 70 7.755 -3.036 3.703 540 HG13 ILE 70 3HG1 ILE 70 7.338 -2.753 2.026 541 HG21 ILE 70 1HG2 ILE 70 4.015 -2.557 4.753 542 HG22 ILE 70 2HG2 ILE 70 5.641 -2.608 5.459 543 HG23 ILE 70 3HG2 ILE 70 5.083 -1.188 4.549 544 HD11 ILE 70 3HD1 ILE 70 8.427 -0.803 2.930 545 HD12 ILE 70 1HD1 ILE 70 6.738 -0.396 2.579 546 HD13 ILE 70 2HD1 ILE 70 7.271 -0.675 4.256 547 H VAL 71 H VAL 71 3.931 -5.255 5.360 548 HA VAL 71 HA VAL 71 1.486 -5.440 3.666 549 HB VAL 71 HB VAL 71 2.441 -7.395 5.782 550 HG11 VAL 71 1HG1 VAL 71 -0.100 -7.286 4.121 551 HG12 VAL 71 2HG1 VAL 71 0.417 -8.707 5.057 552 HG13 VAL 71 3HG1 VAL 71 0.019 -7.204 5.890 553 HG21 VAL 71 3HG2 VAL 71 2.115 -7.689 2.760 554 HG22 VAL 71 1HG2 VAL 71 3.646 -7.754 3.661 555 HG23 VAL 71 2HG2 VAL 71 2.443 -9.023 3.889 556 H ILE 72 H ILE 72 -0.162 -4.226 4.610 557 HA ILE 72 HA ILE 72 -0.126 -3.638 7.532 558 HB ILE 72 HB ILE 72 -0.611 -1.751 5.265 559 HG12 ILE 72 2HG1 ILE 72 1.320 -1.392 7.579 560 HG13 ILE 72 3HG1 ILE 72 1.816 -2.252 6.127 561 HG21 ILE 72 1HG2 ILE 72 -1.055 -1.269 8.273 562 HG22 ILE 72 2HG2 ILE 72 -1.071 0.007 7.062 563 HG23 ILE 72 3HG2 ILE 72 -2.294 -1.230 6.996 564 HD11 ILE 72 3HD1 ILE 72 1.373 -0.329 4.736 565 HD12 ILE 72 1HD1 ILE 72 0.870 0.630 6.173 566 HD13 ILE 72 2HD1 ILE 72 2.527 0.042 5.979 567 H LYS 73 H LYS 73 -2.224 -3.649 8.446 568 HA LYS 73 HA LYS 73 -4.487 -4.366 6.661 569 HB2 LYS 73 2HB LYS 73 -3.969 -5.573 9.407 570 HB3 LYS 73 3HB LYS 73 -5.337 -5.889 8.327 571 HG2 LYS 73 2HG LYS 73 -3.642 -6.663 6.577 572 HG3 LYS 73 3HG LYS 73 -2.411 -6.574 7.840 573 HD2 LYS 73 2HD LYS 73 -3.861 -8.116 9.235 574 HD3 LYS 73 3HD LYS 73 -4.854 -8.391 7.799 575 HE2 LYS 73 2HE LYS 73 -3.157 -9.595 6.690 576 HE3 LYS 73 3HE LYS 73 -1.880 -8.666 7.472 577 HZ1 LYS 73 3HZ LYS 73 -2.300 -9.805 9.520 578 HZ2 LYS 73 1HZ LYS 73 -1.895 -10.864 8.339 579 HZ3 LYS 73 2HZ LYS 73 -3.469 -10.754 8.833 580 H ALA 74 H ALA 74 -5.486 -2.467 6.631 581 HA ALA 74 HA ALA 74 -5.621 -0.779 9.054 582 HB1 ALA 74 1HB ALA 74 -5.064 0.335 6.981 583 HB2 ALA 74 2HB ALA 74 -6.514 -0.328 6.184 584 HB3 ALA 74 3HB ALA 74 -6.670 0.865 7.484 585 H GLN 75 H GLN 75 -7.414 -0.647 10.277 586 HA GLN 75 HA GLN 75 -10.046 -1.349 9.281 587 HB2 GLN 75 2HB GLN 75 -10.248 -3.087 11.289 588 HB3 GLN 75 3HB GLN 75 -9.772 -3.521 9.665 589 HG2 GLN 75 2HG GLN 75 -7.330 -3.475 10.415 590 HG3 GLN 75 3HG GLN 75 -7.920 -3.287 12.059 591 HE21 GLN 75 1HE2 GLN 75 -7.847 -5.380 9.173 592 HE22 GLN 75 2HE2 GLN 75 -8.323 -6.857 9.989 593 H GLU 76 H GLU 76 -10.988 0.378 9.971 594 HA GLU 76 HA GLU 76 -11.166 1.073 12.832 595 HB2 GLU 76 2HB GLU 76 -10.511 3.197 10.733 596 HB3 GLU 76 3HB GLU 76 -10.548 3.356 12.493 597 HG2 GLU 76 2HG GLU 76 -8.574 1.803 12.606 598 HG3 GLU 76 3HG GLU 76 -8.555 1.787 10.823 599 H TYR 77 H TYR 77 -11.985 2.060 9.477 600 HA TYR 77 HA TYR 77 -14.599 3.074 10.121 601 HB2 TYR 77 2HB TYR 77 -13.174 2.416 7.500 602 HB3 TYR 77 3HB TYR 77 -14.721 3.219 7.594 603 HD1 TYR 77 1HD TYR 77 -11.078 3.628 8.417 604 HD2 TYR 77 2HD TYR 77 -14.936 5.517 7.997 605 HE1 TYR 77 1HE TYR 77 -9.993 5.828 8.489 606 HE2 TYR 77 2HE TYR 77 -13.802 7.756 7.920 607 HH TYR 77 HH TYR 77 -11.560 8.653 7.377 608 H ARG 78 H ARG 78 -16.512 2.360 8.776 609 HA ARG 78 HA ARG 78 -16.847 -0.566 8.940 610 HB2 ARG 78 2HB ARG 78 -18.368 1.216 10.124 611 HB3 ARG 78 3HB ARG 78 -19.108 1.397 8.518 612 HG2 ARG 78 2HG ARG 78 -19.511 -1.113 8.500 613 HG3 ARG 78 3HG ARG 78 -18.724 -1.203 10.066 614 HD2 ARG 78 2HD ARG 78 -20.954 -1.268 10.583 615 HD3 ARG 78 3HD ARG 78 -20.552 0.424 10.882 616 HE ARG 78 HE ARG 78 -22.157 -0.765 8.682 617 HH11 ARG 78 1HH1 ARG 78 -20.819 2.280 9.967 618 HH12 ARG 78 2HH1 ARG 78 -22.115 3.252 9.406 619 HH21 ARG 78 1HH2 ARG 78 -23.776 0.494 7.826 620 HH22 ARG 78 2HH2 ARG 78 -23.842 2.215 8.089 621 H SER 79 H SER 79 -15.610 1.199 6.561 622 HA SER 79 HA SER 79 -16.959 -0.380 4.523 623 HB2 SER 79 2HB SER 79 -16.837 2.653 4.492 624 HB3 SER 79 3HB SER 79 -16.967 1.694 3.007 625 HG SER 79 HG SER 79 -19.020 2.312 3.939 626 H GLN 80 H GLN 80 -15.662 -1.129 3.104 627 HA GLN 80 HA GLN 80 -12.913 -1.369 3.597 628 HB2 GLN 80 2HB GLN 80 -14.940 -2.350 1.740 629 HB3 GLN 80 3HB GLN 80 -13.613 -1.778 0.790 630 HG2 GLN 80 2HG GLN 80 -12.630 -3.745 1.085 631 HG3 GLN 80 3HG GLN 80 -12.308 -3.250 2.748 632 HE21 GLN 80 1HE2 GLN 80 -12.433 -5.228 3.748 633 HE22 GLN 80 2HE2 GLN 80 -13.883 -6.184 3.808 634 H GLU 81 H GLU 81 -14.742 0.683 1.351 635 HA GLU 81 HA GLU 81 -12.766 1.986 -0.045 636 HB2 GLU 81 2HB GLU 81 -15.572 2.030 0.230 637 HB3 GLU 81 3HB GLU 81 -15.111 3.632 0.751 638 HG2 GLU 81 2HG GLU 81 -15.278 4.005 -1.425 639 HG3 GLU 81 3HG GLU 81 -13.577 3.550 -1.453 640 H LEU 82 H LEU 82 -13.453 2.417 3.205 641 HA LEU 82 HA LEU 82 -12.024 5.056 3.397 642 HB2 LEU 82 2HB LEU 82 -13.823 3.719 5.429 643 HB3 LEU 82 3HB LEU 82 -13.100 5.337 5.505 644 HG LEU 82 HG LEU 82 -15.148 4.437 3.421 645 HD11 LEU 82 1HD1 LEU 82 -16.080 4.462 5.711 646 HD12 LEU 82 2HD1 LEU 82 -16.802 5.670 4.622 647 HD13 LEU 82 3HD1 LEU 82 -15.601 6.175 5.833 648 HD21 LEU 82 3HD2 LEU 82 -15.385 6.837 2.938 649 HD22 LEU 82 1HD2 LEU 82 -13.731 6.307 2.637 650 HD23 LEU 82 2HD2 LEU 82 -14.102 7.214 4.115 651 H ASN 83 H ASN 83 -11.881 1.620 4.379 652 HA ASN 83 HA ASN 83 -9.749 2.260 6.284 653 HB2 ASN 83 2HB ASN 83 -10.860 -0.358 5.265 654 HB3 ASN 83 3HB ASN 83 -9.376 -0.263 6.233 655 HD21 ASN 83 1HD2 ASN 83 -12.543 -0.956 6.731 656 HD22 ASN 83 2HD2 ASN 83 -12.819 -0.166 8.257 657 H ARG 84 H ARG 84 -9.939 1.927 2.858 658 HA ARG 84 HA ARG 84 -7.235 1.072 2.334 659 HB2 ARG 84 2HB ARG 84 -7.601 2.507 0.169 660 HB3 ARG 84 3HB ARG 84 -8.364 0.937 0.384 661 HG2 ARG 84 2HG ARG 84 -10.467 1.806 0.774 662 HG3 ARG 84 3HG ARG 84 -9.905 3.423 1.181 663 HD2 ARG 84 2HD ARG 84 -9.581 2.122 -1.525 664 HD3 ARG 84 3HD ARG 84 -11.007 3.101 -1.102 665 HE ARG 84 HE ARG 84 -9.068 4.858 -0.545 666 HH11 ARG 84 1HH1 ARG 84 -10.062 3.039 -3.380 667 HH12 ARG 84 2HH1 ARG 84 -9.162 3.951 -4.538 668 HH21 ARG 84 1HH2 ARG 84 -7.705 6.129 -2.074 669 HH22 ARG 84 2HH2 ARG 84 -7.749 5.676 -3.747 670 H GLU 85 H GLU 85 -8.617 4.396 2.749 671 HA GLU 85 HA GLU 85 -6.026 5.570 2.389 672 HB2 GLU 85 2HB GLU 85 -7.035 7.653 3.265 673 HB3 GLU 85 3HB GLU 85 -7.942 6.927 1.936 674 HG2 GLU 85 2HG GLU 85 -9.463 5.870 3.578 675 HG3 GLU 85 3HG GLU 85 -8.571 6.669 4.886 676 H ALA 86 H ALA 86 -7.757 4.295 5.259 677 HA ALA 86 HA ALA 86 -5.956 5.381 7.134 678 HB1 ALA 86 1HB ALA 86 -7.643 2.847 7.239 679 HB2 ALA 86 2HB ALA 86 -6.874 3.630 8.638 680 HB3 ALA 86 3HB ALA 86 -8.158 4.468 7.728 681 H ALA 87 H ALA 87 -5.611 2.850 4.791 682 HA ALA 87 HA ALA 87 -3.405 1.508 6.116 683 HB1 ALA 87 1HB ALA 87 -4.176 1.209 3.187 684 HB2 ALA 87 2HB ALA 87 -3.468 0.016 4.284 685 HB3 ALA 87 3HB ALA 87 -5.157 0.478 4.456 686 H LEU 88 H LEU 88 -3.820 3.639 3.201 687 HA LEU 88 HA LEU 88 -1.113 3.835 2.561 688 HB2 LEU 88 2HB LEU 88 -1.611 5.471 1.070 689 HB3 LEU 88 3HB LEU 88 -3.163 4.704 1.305 690 HG LEU 88 HG LEU 88 -3.416 6.696 3.128 691 HD11 LEU 88 1HD1 LEU 88 -2.447 8.785 2.313 692 HD12 LEU 88 2HD1 LEU 88 -1.588 7.916 1.024 693 HD13 LEU 88 3HD1 LEU 88 -1.153 7.655 2.724 694 HD21 LEU 88 3HD2 LEU 88 -4.904 7.706 1.765 695 HD22 LEU 88 1HD2 LEU 88 -4.747 6.177 0.901 696 HD23 LEU 88 2HD2 LEU 88 -3.858 7.578 0.316 697 H ALA 89 H ALA 89 -2.872 5.823 4.968 698 HA ALA 89 HA ALA 89 -0.776 7.586 5.605 699 HB1 ALA 89 1HB ALA 89 -2.042 7.931 7.681 700 HB2 ALA 89 2HB ALA 89 -3.143 7.830 6.296 701 HB3 ALA 89 3HB ALA 89 -2.969 6.442 7.390 702 H ARG 90 H ARG 90 -1.387 4.268 6.814 703 HA ARG 90 HA ARG 90 0.610 4.359 8.899 704 HB2 ARG 90 2HB ARG 90 -0.965 2.154 7.495 705 HB3 ARG 90 3HB ARG 90 0.217 1.802 8.762 706 HG2 ARG 90 2HG ARG 90 -0.956 3.273 10.307 707 HG3 ARG 90 3HG ARG 90 -2.139 3.700 9.059 708 HD2 ARG 90 2HD ARG 90 -3.136 1.580 9.058 709 HD3 ARG 90 3HD ARG 90 -1.775 0.845 9.914 710 HE ARG 90 HE ARG 90 -3.946 2.539 11.018 711 HH11 ARG 90 1HH1 ARG 90 -0.851 0.918 11.729 712 HH12 ARG 90 2HH1 ARG 90 -0.849 1.375 13.397 713 HH21 ARG 90 1HH2 ARG 90 -3.767 3.337 13.163 714 HH22 ARG 90 2HH2 ARG 90 -2.568 2.676 14.248 715 H LEU 91 H LEU 91 0.540 3.359 5.526 716 HA LEU 91 HA LEU 91 3.090 2.075 5.461 717 HB2 LEU 91 2HB LEU 91 1.429 1.752 3.671 718 HB3 LEU 91 3HB LEU 91 1.498 3.465 3.264 719 HG LEU 91 HG LEU 91 3.849 3.247 2.628 720 HD11 LEU 91 1HD1 LEU 91 4.608 1.333 3.955 721 HD12 LEU 91 2HD1 LEU 91 4.818 0.961 2.244 722 HD13 LEU 91 3HD1 LEU 91 3.448 0.258 3.130 723 HD21 LEU 91 3HD2 LEU 91 2.162 1.239 1.128 724 HD22 LEU 91 1HD2 LEU 91 3.525 2.184 0.517 725 HD23 LEU 91 2HD2 LEU 91 2.024 3.004 0.976 726 H VAL 92 H VAL 92 2.166 5.389 4.486 727 HA VAL 92 HA VAL 92 4.705 6.366 3.900 728 HB VAL 92 HB VAL 92 2.434 7.870 5.264 729 HG11 VAL 92 1HG1 VAL 92 4.833 8.958 3.727 730 HG12 VAL 92 2HG1 VAL 92 3.397 9.907 4.168 731 HG13 VAL 92 3HG1 VAL 92 4.429 9.244 5.436 732 HG21 VAL 92 3HG2 VAL 92 1.876 6.785 3.020 733 HG22 VAL 92 1HG2 VAL 92 1.712 8.538 3.068 734 HG23 VAL 92 2HG2 VAL 92 3.135 7.813 2.312 735 H ALA 93 H ALA 93 3.201 6.102 7.138 736 HA ALA 93 HA ALA 93 5.183 7.544 8.578 737 HB1 ALA 93 1HB ALA 93 4.236 6.418 10.537 738 HB2 ALA 93 2HB ALA 93 2.970 7.077 9.479 739 HB3 ALA 93 3HB ALA 93 3.314 5.325 9.486 740 H MET 94 H MET 94 4.765 3.958 8.229 741 HA MET 94 HA MET 94 7.212 3.423 9.652 742 HB2 MET 94 2HB MET 94 7.025 1.153 8.875 743 HB3 MET 94 3HB MET 94 5.505 1.762 9.535 744 HG2 MET 94 2HG MET 94 4.728 2.205 7.192 745 HG3 MET 94 3HG MET 94 6.170 1.430 6.594 746 HE1 MET 94 3HE MET 94 5.575 -2.265 7.654 747 HE2 MET 94 1HE MET 94 6.793 -1.006 7.320 748 HE3 MET 94 2HE MET 94 6.150 -1.226 8.981 749 H ILE 95 H ILE 95 6.524 4.017 6.174 750 HA ILE 95 HA ILE 95 9.072 3.296 5.193 751 HB ILE 95 HB ILE 95 6.998 5.356 4.363 752 HG12 ILE 95 2HG1 ILE 95 8.063 2.884 2.934 753 HG13 ILE 95 3HG1 ILE 95 6.645 2.879 3.976 754 HG21 ILE 95 1HG2 ILE 95 9.708 4.909 3.098 755 HG22 ILE 95 2HG2 ILE 95 8.374 5.707 2.263 756 HG23 ILE 95 3HG2 ILE 95 9.045 6.437 3.706 757 HD11 ILE 95 3HD1 ILE 95 5.851 3.091 1.717 758 HD12 ILE 95 1HD1 ILE 95 5.613 4.666 2.496 759 HD13 ILE 95 2HD1 ILE 95 6.948 4.395 1.345 760 H LYS 96 H LYS 96 7.921 6.474 6.518 761 HA LYS 96 HA LYS 96 10.559 7.669 6.317 762 HB2 LYS 96 2HB LYS 96 8.041 8.360 7.917 763 HB3 LYS 96 3HB LYS 96 9.468 9.400 7.863 764 HG2 LYS 96 2HG LYS 96 9.218 9.818 5.511 765 HG3 LYS 96 3HG LYS 96 7.932 8.606 5.339 766 HD2 LYS 96 2HD LYS 96 6.383 9.838 6.589 767 HD3 LYS 96 3HD LYS 96 7.612 10.891 7.294 768 HE2 LYS 96 2HE LYS 96 7.571 11.059 4.362 769 HE3 LYS 96 3HE LYS 96 6.006 11.470 5.079 770 HZ1 LYS 96 3HZ LYS 96 7.134 13.123 6.464 771 HZ2 LYS 96 1HZ LYS 96 7.560 13.383 4.888 772 HZ3 LYS 96 2HZ LYS 96 8.590 12.646 5.904 773 H GLU 97 H GLU 97 9.422 5.363 8.573 774 HA GLU 97 HA GLU 97 11.360 6.291 10.628 775 HB2 GLU 97 2HB GLU 97 9.113 4.286 10.458 776 HB3 GLU 97 3HB GLU 97 10.406 3.969 11.591 777 HG2 GLU 97 2HG GLU 97 9.303 6.752 11.651 778 HG3 GLU 97 3HG GLU 97 8.202 5.482 12.145 779 H LEU 98 H LEU 98 10.961 3.813 8.086 780 HA LEU 98 HA LEU 98 13.253 2.255 9.033 781 HB2 LEU 98 2HB LEU 98 11.660 2.137 6.451 782 HB3 LEU 98 3HB LEU 98 12.877 0.956 6.942 783 HG LEU 98 HG LEU 98 10.455 1.630 8.633 784 HD11 LEU 98 1HD1 LEU 98 10.704 -0.587 6.593 785 HD12 LEU 98 2HD1 LEU 98 9.653 0.843 6.491 786 HD13 LEU 98 3HD1 LEU 98 9.364 -0.357 7.756 787 HD21 LEU 98 3HD2 LEU 98 12.588 -0.453 8.849 788 HD22 LEU 98 1HD2 LEU 98 10.959 -0.801 9.477 789 HD23 LEU 98 2HD2 LEU 98 11.872 0.591 10.082 790 H THR 99 H THR 99 12.723 4.782 6.612 791 HA THR 99 HA THR 99 15.323 4.324 5.342 792 HB THR 99 HB THR 99 15.055 6.629 4.400 793 HG1 THR 99 1HG THR 99 13.229 7.736 4.710 794 HG21 THR 99 3HG2 THR 99 13.190 6.080 2.924 795 HG22 THR 99 1HG2 THR 99 12.633 4.819 4.063 796 HG23 THR 99 2HG2 THR 99 14.186 4.637 3.216 797 H THR 100 H THR 100 14.361 5.893 8.278 798 HA THR 100 HA THR 100 17.169 6.780 8.734 799 HB THR 100 HB THR 100 15.563 8.611 8.144 800 HG1 THR 100 1HG THR 100 17.409 9.013 9.578 801 HG21 THR 100 3HG2 THR 100 13.642 7.475 9.468 802 HG22 THR 100 1HG2 THR 100 13.762 9.243 9.539 803 HG23 THR 100 2HG2 THR 100 14.314 8.238 10.884 804 H GLU 101 H GLU 101 16.745 7.649 11.287 805 HA GLU 101 HA GLU 101 16.998 5.228 12.914 806 HB2 GLU 101 2HB GLU 101 18.629 7.060 12.823 807 HB3 GLU 101 3HB GLU 101 17.382 8.213 13.276 808 HG2 GLU 101 2HG GLU 101 17.304 7.433 15.523 809 HG3 GLU 101 3HG GLU 101 18.201 5.952 15.110 810 H LYS 102 H LYS 102 15.713 4.980 14.880 811 HA LYS 102 HA LYS 102 12.927 5.816 14.691 812 HB2 LYS 102 2HB LYS 102 14.407 4.564 17.029 813 HB3 LYS 102 3HB LYS 102 12.684 4.492 16.744 814 HG2 LYS 102 2HG LYS 102 14.799 3.063 15.033 815 HG3 LYS 102 3HG LYS 102 13.975 2.375 16.420 816 HD2 LYS 102 2HD LYS 102 12.748 1.535 14.636 817 HD3 LYS 102 3HD LYS 102 11.773 2.854 15.273 818 HE2 LYS 102 2HE LYS 102 11.674 3.045 12.918 819 HE3 LYS 102 3HE LYS 102 12.744 4.340 13.443 820 HZ1 LYS 102 3HZ LYS 102 13.575 1.742 12.282 821 HZ2 LYS 102 1HZ LYS 102 14.635 2.880 12.804 822 HZ3 LYS 102 2HZ LYS 102 13.650 3.233 11.562 823 H LYS 103 H LYS 103 11.889 7.465 15.813 824 HA LYS 103 HA LYS 103 13.380 8.791 18.018 825 HB2 LYS 103 2HB LYS 103 12.199 10.246 15.636 826 HB3 LYS 103 3HB LYS 103 12.268 10.978 17.212 827 HG2 LYS 103 2HG LYS 103 14.200 11.753 16.255 828 HG3 LYS 103 3HG LYS 103 14.755 10.446 17.292 829 HD2 LYS 103 2HD LYS 103 16.000 10.393 15.280 830 HD3 LYS 103 3HD LYS 103 14.965 8.980 15.258 831 HE2 LYS 103 2HE LYS 103 13.385 10.105 13.744 832 HE3 LYS 103 3HE LYS 103 14.329 11.599 13.876 833 HZ1 LYS 103 3HZ LYS 103 15.153 9.076 12.637 834 HZ2 LYS 103 1HZ LYS 103 16.216 10.321 12.943 835 HZ3 LYS 103 2HZ LYS 103 14.979 10.554 11.894 836 H ALA 104 H ALA 104 12.038 9.979 19.483 837 HA ALA 104 HA ALA 104 9.762 8.409 20.283 838 HB1 ALA 104 1HB ALA 104 11.466 9.242 21.847 839 HB2 ALA 104 2HB ALA 104 10.976 10.911 21.506 840 HB3 ALA 104 3HB ALA 104 9.838 9.794 22.288 841 H ARG 105 H ARG 105 8.237 8.787 18.588 842 HA ARG 105 HA ARG 105 7.061 11.379 18.052 843 HB2 ARG 105 2HB ARG 105 5.439 10.152 16.773 844 HB3 ARG 105 3HB ARG 105 7.004 9.379 16.511 845 HG2 ARG 105 2HG ARG 105 6.343 7.691 18.340 846 HG3 ARG 105 3HG ARG 105 4.744 8.445 18.324 847 HD2 ARG 105 2HD ARG 105 4.353 6.731 16.900 848 HD3 ARG 105 3HD ARG 105 4.841 7.989 15.745 849 HE ARG 105 HE ARG 105 7.147 6.502 16.585 850 HH11 ARG 105 1HH1 ARG 105 4.181 6.001 14.747 851 HH12 ARG 105 2HH1 ARG 105 4.810 4.706 13.764 852 HH21 ARG 105 1HH2 ARG 105 8.106 4.982 15.123 853 HH22 ARG 105 2HH2 ARG 105 7.112 4.090 14.038 854 H ARG 106 H ARG 106 4.504 11.675 18.502 855 HA ARG 106 HA ARG 106 3.920 10.779 21.301 856 HB2 ARG 106 2HB ARG 106 3.451 13.449 19.929 857 HB3 ARG 106 3HB ARG 106 2.556 12.986 21.365 858 HG2 ARG 106 2HG ARG 106 4.713 12.701 22.612 859 HG3 ARG 106 3HG ARG 106 5.579 13.225 21.162 860 HD2 ARG 106 2HD ARG 106 5.456 15.171 22.442 861 HD3 ARG 106 3HD ARG 106 4.147 15.370 21.268 862 HE ARG 106 HE ARG 106 3.329 14.161 23.809 863 HH11 ARG 106 1HH1 ARG 106 3.859 17.292 22.141 864 HH12 ARG 106 2HH1 ARG 106 2.991 18.178 23.353 865 HH21 ARG 106 1HH2 ARG 106 2.247 15.498 25.466 866 HH22 ARG 106 2HH2 ARG 106 2.215 17.203 25.209 867 HA PRO 107 HA PRO 107 0.269 8.960 19.711 868 HB2 PRO 107 2HB PRO 107 -1.660 9.456 21.637 869 HB3 PRO 107 3HB PRO 107 -0.330 8.279 21.827 870 HG2 PRO 107 2HG PRO 107 -0.468 11.142 22.813 871 HG3 PRO 107 3HG PRO 107 0.051 9.686 23.720 872 HD2 PRO 107 2HD PRO 107 1.853 11.365 22.610 873 HD3 PRO 107 3HD PRO 107 2.122 9.603 22.566 874 H THR 108 H THR 108 0.001 12.350 20.671 875 HA THR 108 HA THR 108 -1.424 14.038 20.131 876 HB THR 108 HB THR 108 -1.273 14.567 17.704 877 HG1 THR 108 1HG THR 108 -0.732 13.123 16.353 878 HG21 THR 108 3HG2 THR 108 0.515 15.162 19.319 879 HG22 THR 108 1HG2 THR 108 1.155 14.841 17.698 880 HG23 THR 108 2HG2 THR 108 1.335 13.623 18.964 881 H ARG 109 H ARG 109 -3.074 12.230 21.036 882 HA ARG 109 HA ARG 109 -5.412 12.437 19.204 883 HB2 ARG 109 2HB ARG 109 -4.255 10.157 19.094 884 HB3 ARG 109 3HB ARG 109 -4.801 9.867 20.741 885 HG2 ARG 109 2HG ARG 109 -6.759 10.695 18.573 886 HG3 ARG 109 3HG ARG 109 -6.155 9.046 18.615 887 HD2 ARG 109 2HD ARG 109 -7.112 8.573 20.731 888 HD3 ARG 109 3HD ARG 109 -7.449 10.265 21.070 889 HE ARG 109 HE ARG 109 -9.023 8.425 19.478 890 HH11 ARG 109 1HH1 ARG 109 -8.466 11.851 20.284 891 HH12 ARG 109 2HH1 ARG 109 -9.826 12.456 19.445 892 HH21 ARG 109 1HH2 ARG 109 -10.943 9.155 18.513 893 HH22 ARG 109 2HH2 ARG 109 -11.364 10.831 18.426 894 H SER 110 H SER 110 -4.162 12.218 22.555 895 HA SER 110 HA SER 110 -6.665 12.209 23.843 896 HB2 SER 110 2HB SER 110 -4.135 13.463 24.949 897 HB3 SER 110 3HB SER 110 -5.411 12.568 25.795 898 HG SER 110 HG SER 110 -3.613 11.246 25.552 899 H GLY 111 H GLY 111 -4.408 14.935 23.108 900 HA2 GLY 111 2HA GLY 111 -4.833 17.192 22.785 901 HA3 GLY 111 3HA GLY 111 -6.524 16.764 22.451 902 HA PRO 112 HA PRO 112 -6.238 18.924 26.630 903 HB2 PRO 112 2HB PRO 112 -7.665 21.188 26.122 904 HB3 PRO 112 3HB PRO 112 -5.956 21.035 25.615 905 HG2 PRO 112 2HG PRO 112 -8.437 20.565 23.930 906 HG3 PRO 112 3HG PRO 112 -7.004 21.567 23.534 907 HD2 PRO 112 2HD PRO 112 -7.288 18.972 22.676 908 HD3 PRO 112 3HD PRO 112 -5.689 19.669 23.071 909 H SER 113 H SER 113 -8.268 19.567 28.044 910 HA SER 113 HA SER 113 -10.836 18.607 27.099 911 HB2 SER 113 2HB SER 113 -9.509 16.558 27.911 912 HB3 SER 113 3HB SER 113 -9.599 17.283 29.532 913 HG SER 113 HG SER 113 -11.339 15.925 29.290 914 H SER 114 H SER 114 -12.513 19.136 28.757 915 HA SER 114 HA SER 114 -12.050 20.531 31.122 916 HB2 SER 114 2HB SER 114 -12.801 22.829 30.400 917 HB3 SER 114 3HB SER 114 -11.172 22.408 29.875 918 HG SER 114 HG SER 114 -11.918 22.020 27.830 919 H GLY 115 H GLY 115 -14.065 21.325 32.010 920 HA2 GLY 115 2HA GLY 115 -16.385 21.588 32.147 921 HA3 GLY 115 3HA GLY 115 -16.597 20.762 30.586 922 H GLU 116 H GLU 116 -17.791 20.198 33.308 923 HA GLU 116 HA GLU 116 -17.165 17.286 33.404 924 HB2 GLU 116 2HB GLU 116 -16.042 18.958 35.238 925 HB3 GLU 116 3HB GLU 116 -17.604 18.737 35.998 926 HG2 GLU 116 2HG GLU 116 -16.190 17.069 36.929 927 HG3 GLU 116 3HG GLU 116 -17.216 16.199 35.788 928 H ASN 117 H ASN 117 -19.363 19.325 32.535 929 HA ASN 117 HA ASN 117 -21.558 19.678 32.542 930 HB2 ASN 117 2HB ASN 117 -21.101 17.379 31.444 931 HB3 ASN 117 3HB ASN 117 -22.025 16.735 32.804 932 HD21 ASN 117 1HD2 ASN 117 -24.287 17.713 33.075 933 HD22 ASN 117 2HD2 ASN 117 -25.120 18.203 31.596 934 H LEU 118 H LEU 118 -20.466 19.707 35.285 935 HA LEU 118 HA LEU 118 -22.449 18.774 37.126 936 HB2 LEU 118 2HB LEU 118 -21.175 20.125 38.754 937 HB3 LEU 118 3HB LEU 118 -20.280 18.903 37.869 938 HG LEU 118 HG LEU 118 -19.189 20.571 36.478 939 HD11 LEU 118 1HD1 LEU 118 -20.823 22.636 37.988 940 HD12 LEU 118 2HD1 LEU 118 -20.886 22.278 36.253 941 HD13 LEU 118 3HD1 LEU 118 -19.428 23.005 36.944 942 HD21 LEU 118 3HD2 LEU 118 -17.832 21.643 38.218 943 HD22 LEU 118 1HD2 LEU 118 -18.216 19.969 38.653 944 HD23 LEU 118 2HD2 LEU 118 -19.094 21.305 39.427 945 H TYR 119 H TYR 119 -23.323 20.603 34.981 946 HA TYR 119 HA TYR 119 -24.278 23.061 36.245 947 HB2 TYR 119 2HB TYR 119 -25.081 21.905 33.548 948 HB3 TYR 119 3HB TYR 119 -25.167 23.590 34.064 949 HD1 TYR 119 2HD TYR 119 -22.682 24.403 35.076 950 HD2 TYR 119 1HD TYR 119 -23.381 21.474 31.979 951 HE1 TYR 119 2HE TYR 119 -20.362 24.644 34.347 952 HE2 TYR 119 1HE TYR 119 -21.044 21.738 31.208 953 HH TYR 119 HH TYR 119 -18.800 24.103 32.579 954 H PHE 120 H PHE 120 -26.825 23.576 35.923 955 HA PHE 120 HA PHE 120 -28.547 21.291 36.240 956 HB2 PHE 120 2HB PHE 120 -27.602 22.034 38.521 957 HB3 PHE 120 3HB PHE 120 -28.364 23.593 38.240 958 HD1 PHE 120 1HD PHE 120 -30.870 23.739 38.100 959 HD2 PHE 120 2HD PHE 120 -28.848 20.083 39.123 960 HE1 PHE 120 1HE PHE 120 -33.016 22.785 38.891 961 HE2 PHE 120 2HE PHE 120 -30.991 19.134 39.984 962 HZ PHE 120 HZ PHE 120 -33.083 20.490 39.859 963 H GLN 121 H GLN 121 -30.819 22.150 35.879 964 HA GLN 121 HA GLN 121 -31.155 24.835 34.792 965 HB2 GLN 121 2HB GLN 121 -31.868 22.240 33.328 966 HB3 GLN 121 3HB GLN 121 -32.407 23.846 32.860 967 HG2 GLN 121 2HG GLN 121 -29.479 22.982 32.856 968 HG3 GLN 121 3HG GLN 121 -30.552 22.866 31.475 969 HE21 GLN 121 1HE2 GLN 121 -29.225 25.275 33.789 970 HE22 GLN 121 2HE2 GLN 121 -29.288 26.615 32.627 Start of MODEL 11 1 H1 MET 1 H MET 1 -0.650 9.310 -4.241 2 HA MET 1 HA MET 1 1.179 9.491 -5.814 3 HB2 MET 1 2HB MET 1 1.444 12.321 -4.733 4 HB3 MET 1 3HB MET 1 2.661 11.527 -5.693 5 HG2 MET 1 2HG MET 1 -0.113 12.296 -6.574 6 HG3 MET 1 3HG MET 1 1.426 12.891 -7.169 7 HE1 MET 1 3HE MET 1 2.816 9.784 -9.183 8 HE2 MET 1 1HE MET 1 3.149 11.435 -8.629 9 HE3 MET 1 2HE MET 1 3.136 10.084 -7.468 10 H ILE 2 H ILE 2 0.693 9.504 -2.417 11 HA ILE 2 HA ILE 2 2.058 9.173 -0.636 12 HB ILE 2 HB ILE 2 3.136 7.057 -2.516 13 HG12 ILE 2 2HG1 ILE 2 0.532 7.122 -0.943 14 HG13 ILE 2 3HG1 ILE 2 0.677 7.123 -2.700 15 HG21 ILE 2 1HG2 ILE 2 2.481 6.538 0.389 16 HG22 ILE 2 2HG2 ILE 2 3.636 5.727 -0.659 17 HG23 ILE 2 3HG2 ILE 2 4.020 7.325 -0.017 18 HD11 ILE 2 3HD1 ILE 2 -0.051 4.952 -1.742 19 HD12 ILE 2 1HD1 ILE 2 1.438 4.819 -2.706 20 HD13 ILE 2 2HD1 ILE 2 1.491 4.790 -0.926 21 H VAL 3 H VAL 3 3.032 11.378 -1.746 22 HA VAL 3 HA VAL 3 5.796 11.200 -2.532 23 HB VAL 3 HB VAL 3 4.597 12.991 -3.408 24 HG11 VAL 3 1HG1 VAL 3 3.978 13.968 -0.599 25 HG12 VAL 3 2HG1 VAL 3 3.645 14.841 -2.114 26 HG13 VAL 3 3HG1 VAL 3 2.819 13.315 -1.791 27 HG21 VAL 3 3HG2 VAL 3 6.966 13.414 -2.888 28 HG22 VAL 3 1HG2 VAL 3 6.019 14.900 -2.815 29 HG23 VAL 3 2HG2 VAL 3 6.519 14.111 -1.312 30 H ILE 4 H ILE 4 7.222 10.426 -1.285 31 HA ILE 4 HA ILE 4 7.027 10.660 1.630 32 HB ILE 4 HB ILE 4 9.085 9.229 -0.066 33 HG12 ILE 4 2HG1 ILE 4 7.004 8.162 -0.455 34 HG13 ILE 4 3HG1 ILE 4 7.884 7.197 0.694 35 HG21 ILE 4 1HG2 ILE 4 9.619 8.033 2.049 36 HG22 ILE 4 2HG2 ILE 4 10.042 9.738 2.103 37 HG23 ILE 4 3HG2 ILE 4 8.583 9.162 2.932 38 HD11 ILE 4 3HD1 ILE 4 5.628 7.229 1.476 39 HD12 ILE 4 1HD1 ILE 4 6.473 8.351 2.550 40 HD13 ILE 4 2HD1 ILE 4 5.465 8.977 1.226 41 H SER 5 H SER 5 9.334 11.429 -0.995 42 HA SER 5 HA SER 5 10.318 13.749 0.506 43 HB2 SER 5 2HB SER 5 11.699 11.714 1.159 44 HB3 SER 5 3HB SER 5 12.291 11.670 -0.514 45 HG SER 5 HG SER 5 13.528 12.888 1.175 46 H ARG 6 H ARG 6 12.554 14.080 -1.387 47 HA ARG 6 HA ARG 6 11.119 15.574 -3.328 48 HB2 ARG 6 2HB ARG 6 13.599 15.797 -2.425 49 HB3 ARG 6 3HB ARG 6 14.003 14.815 -3.824 50 HG2 ARG 6 2HG ARG 6 12.734 17.570 -3.703 51 HG3 ARG 6 3HG ARG 6 14.256 17.084 -4.449 52 HD2 ARG 6 2HD ARG 6 12.926 15.798 -6.164 53 HD3 ARG 6 3HD ARG 6 11.454 16.462 -5.452 54 HE ARG 6 HE ARG 6 13.376 18.500 -6.139 55 HH11 ARG 6 1HH1 ARG 6 10.932 16.340 -7.730 56 HH12 ARG 6 2HH1 ARG 6 10.714 17.465 -9.014 57 HH21 ARG 6 1HH2 ARG 6 12.575 20.095 -7.618 58 HH22 ARG 6 2HH2 ARG 6 11.566 19.576 -8.931 59 H HIS 7 H HIS 7 13.253 12.715 -4.074 60 HA HIS 7 HA HIS 7 11.676 12.346 -6.555 61 HB2 HIS 7 2HB HIS 7 14.453 11.410 -5.761 62 HB3 HIS 7 3HB HIS 7 13.664 11.075 -7.303 63 HD1 HIS 7 1HD HIS 7 12.886 13.393 -8.689 64 HD2 HIS 7 2HD HIS 7 15.766 13.651 -5.631 65 HE1 HIS 7 1HE HIS 7 13.996 15.719 -8.924 66 H VAL 8 H VAL 8 10.569 11.510 -3.993 67 HA VAL 8 HA VAL 8 10.284 8.626 -4.626 68 HB VAL 8 HB VAL 8 10.631 9.741 -1.815 69 HG11 VAL 8 1HG1 VAL 8 10.235 6.941 -2.931 70 HG12 VAL 8 2HG1 VAL 8 10.574 7.304 -1.221 71 HG13 VAL 8 3HG1 VAL 8 9.064 7.850 -1.958 72 HG21 VAL 8 3HG2 VAL 8 12.828 9.711 -2.896 73 HG22 VAL 8 1HG2 VAL 8 12.721 8.363 -1.759 74 HG23 VAL 8 2HG2 VAL 8 12.543 8.072 -3.507 75 H ALA 9 H ALA 9 8.281 8.639 -5.402 76 HA ALA 9 HA ALA 9 6.057 9.418 -3.715 77 HB1 ALA 9 1HB ALA 9 5.061 10.955 -5.399 78 HB2 ALA 9 2HB ALA 9 6.598 11.584 -4.794 79 HB3 ALA 9 3HB ALA 9 6.519 10.816 -6.400 80 H ILE 10 H ILE 10 4.930 7.533 -3.877 81 HA ILE 10 HA ILE 10 5.179 5.834 -6.250 82 HB ILE 10 HB ILE 10 3.301 5.356 -3.918 83 HG12 ILE 10 2HG1 ILE 10 6.266 4.676 -4.010 84 HG13 ILE 10 3HG1 ILE 10 5.409 5.696 -2.843 85 HG21 ILE 10 1HG2 ILE 10 3.512 2.995 -4.609 86 HG22 ILE 10 2HG2 ILE 10 3.047 3.947 -5.991 87 HG23 ILE 10 3HG2 ILE 10 4.735 3.428 -5.811 88 HD11 ILE 10 3HD1 ILE 10 5.204 2.683 -3.129 89 HD12 ILE 10 1HD1 ILE 10 5.828 3.595 -1.763 90 HD13 ILE 10 2HD1 ILE 10 4.086 3.644 -2.124 91 HA PRO 11 HA PRO 11 1.512 7.806 -7.966 92 HB2 PRO 11 2HB PRO 11 1.009 6.212 -10.145 93 HB3 PRO 11 3HB PRO 11 2.404 7.324 -10.045 94 HG2 PRO 11 2HG PRO 11 2.353 4.352 -9.383 95 HG3 PRO 11 3HG PRO 11 3.478 5.218 -10.478 96 HD2 PRO 11 2HD PRO 11 4.184 4.720 -7.931 97 HD3 PRO 11 3HD PRO 11 4.555 6.304 -8.674 98 H ASP 12 H ASP 12 1.438 5.147 -6.082 99 HA ASP 12 HA ASP 12 -0.137 4.079 -4.898 100 HB2 ASP 12 2HB ASP 12 -1.294 6.296 -5.108 101 HB3 ASP 12 3HB ASP 12 -2.294 5.595 -6.384 102 H GLY 13 H GLY 13 0.261 3.616 -8.183 103 HA2 GLY 13 2HA GLY 13 -1.685 1.402 -8.444 104 HA3 GLY 13 3HA GLY 13 -0.711 2.137 -9.716 105 H GLU 14 H GLU 14 1.660 1.910 -7.659 106 HA GLU 14 HA GLU 14 2.668 -0.632 -8.656 107 HB2 GLU 14 2HB GLU 14 3.738 1.541 -6.811 108 HB3 GLU 14 3HB GLU 14 4.655 0.059 -7.108 109 HG2 GLU 14 2HG GLU 14 4.753 0.488 -9.484 110 HG3 GLU 14 3HG GLU 14 3.742 1.936 -9.298 111 H LEU 15 H LEU 15 0.466 -0.125 -6.272 112 HA LEU 15 HA LEU 15 1.678 -1.998 -4.293 113 HB2 LEU 15 2HB LEU 15 -0.889 -0.499 -3.861 114 HB3 LEU 15 3HB LEU 15 0.256 -1.213 -2.722 115 HG LEU 15 HG LEU 15 0.578 1.378 -4.341 116 HD11 LEU 15 1HD1 LEU 15 0.548 0.919 -1.345 117 HD12 LEU 15 2HD1 LEU 15 -0.855 1.485 -2.291 118 HD13 LEU 15 3HD1 LEU 15 0.623 2.473 -2.187 119 HD21 LEU 15 3HD2 LEU 15 2.519 0.145 -2.361 120 HD22 LEU 15 1HD2 LEU 15 2.659 1.763 -3.027 121 HD23 LEU 15 2HD2 LEU 15 2.823 0.376 -4.110 122 H GLU 16 H GLU 16 0.078 -3.531 -3.236 123 HA GLU 16 HA GLU 16 -1.948 -4.522 -5.146 124 HB2 GLU 16 2HB GLU 16 0.028 -6.049 -5.114 125 HB3 GLU 16 3HB GLU 16 -0.226 -6.278 -3.386 126 HG2 GLU 16 2HG GLU 16 -1.282 -8.115 -4.439 127 HG3 GLU 16 3HG GLU 16 -2.585 -7.064 -3.917 128 H ILE 17 H ILE 17 -3.702 -3.573 -4.165 129 HA ILE 17 HA ILE 17 -3.947 -3.771 -1.191 130 HB ILE 17 HB ILE 17 -5.363 -2.072 -3.270 131 HG12 ILE 17 2HG1 ILE 17 -3.713 -1.110 -0.886 132 HG13 ILE 17 3HG1 ILE 17 -2.910 -1.550 -2.381 133 HG21 ILE 17 1HG2 ILE 17 -5.826 -2.265 -0.254 134 HG22 ILE 17 2HG2 ILE 17 -6.488 -0.982 -1.295 135 HG23 ILE 17 3HG2 ILE 17 -6.994 -2.644 -1.537 136 HD11 ILE 17 3HD1 ILE 17 -4.226 0.027 -3.663 137 HD12 ILE 17 1HD1 ILE 17 -5.075 0.561 -2.192 138 HD13 ILE 17 2HD1 ILE 17 -3.326 0.834 -2.360 139 H THR 18 H THR 18 -5.795 -4.875 -0.307 140 HA THR 18 HA THR 18 -7.554 -6.250 -2.206 141 HB THR 18 HB THR 18 -6.354 -8.079 -0.185 142 HG1 THR 18 1HG THR 18 -4.840 -7.163 -2.396 143 HG21 THR 18 3HG2 THR 18 -6.794 -8.326 -3.197 144 HG22 THR 18 1HG2 THR 18 -7.899 -8.896 -1.918 145 HG23 THR 18 2HG2 THR 18 -6.298 -9.635 -2.121 146 H ALA 19 H ALA 19 -9.457 -7.057 -1.203 147 HA ALA 19 HA ALA 19 -10.058 -5.774 1.396 148 HB1 ALA 19 1HB ALA 19 -12.355 -6.592 0.932 149 HB2 ALA 19 2HB ALA 19 -11.731 -5.678 -0.450 150 HB3 ALA 19 3HB ALA 19 -11.770 -7.454 -0.502 151 H ILE 20 H ILE 20 -10.718 -6.868 3.234 152 HA ILE 20 HA ILE 20 -10.261 -9.773 3.374 153 HB ILE 20 HB ILE 20 -9.231 -9.211 5.692 154 HG12 ILE 20 2HG1 ILE 20 -8.381 -6.686 4.242 155 HG13 ILE 20 3HG1 ILE 20 -9.544 -6.795 5.567 156 HG21 ILE 20 1HG2 ILE 20 -6.976 -9.421 4.742 157 HG22 ILE 20 2HG2 ILE 20 -8.118 -10.417 3.846 158 HG23 ILE 20 3HG2 ILE 20 -7.584 -8.874 3.156 159 HD11 ILE 20 3HD1 ILE 20 -7.696 -7.806 6.990 160 HD12 ILE 20 1HD1 ILE 20 -6.572 -7.375 5.672 161 HD13 ILE 20 2HD1 ILE 20 -7.467 -6.110 6.523 162 H ARG 21 H ARG 21 -11.611 -10.775 4.836 163 HA ARG 21 HA ARG 21 -13.603 -9.127 6.275 164 HB2 ARG 21 2HB ARG 21 -15.419 -10.502 5.309 165 HB3 ARG 21 3HB ARG 21 -14.565 -9.556 4.095 166 HG2 ARG 21 2HG ARG 21 -14.753 -11.512 2.969 167 HG3 ARG 21 3HG ARG 21 -13.204 -11.822 3.716 168 HD2 ARG 21 2HD ARG 21 -14.511 -13.084 5.568 169 HD3 ARG 21 3HD ARG 21 -15.941 -12.859 4.573 170 HE ARG 21 HE ARG 21 -15.195 -14.411 3.071 171 HH11 ARG 21 1HH1 ARG 21 -12.490 -13.681 5.286 172 HH12 ARG 21 2HH1 ARG 21 -11.460 -14.923 4.651 173 HH21 ARG 21 1HH2 ARG 21 -13.907 -16.051 2.293 174 HH22 ARG 21 2HH2 ARG 21 -12.262 -16.281 2.838 175 H ALA 22 H ALA 22 -14.542 -10.196 8.024 176 HA ALA 22 HA ALA 22 -12.930 -12.399 9.131 177 HB1 ALA 22 1HB ALA 22 -15.294 -10.835 10.245 178 HB2 ALA 22 2HB ALA 22 -14.350 -12.047 11.136 179 HB3 ALA 22 3HB ALA 22 -13.573 -10.551 10.593 180 H GLN 23 H GLN 23 -13.914 -14.418 9.848 181 HA GLN 23 HA GLN 23 -16.283 -15.277 8.238 182 HB2 GLN 23 2HB GLN 23 -13.758 -16.721 9.143 183 HB3 GLN 23 3HB GLN 23 -15.104 -17.498 8.323 184 HG2 GLN 23 2HG GLN 23 -14.805 -16.012 6.362 185 HG3 GLN 23 3HG GLN 23 -13.454 -15.208 7.168 186 HE21 GLN 23 1HE2 GLN 23 -14.273 -17.811 5.108 187 HE22 GLN 23 2HE2 GLN 23 -12.654 -18.537 5.121 188 H GLY 24 H GLY 24 -14.895 -15.107 11.436 189 HA2 GLY 24 2HA GLY 24 -16.553 -15.178 13.287 190 HA3 GLY 24 3HA GLY 24 -17.119 -16.726 12.618 191 H ALA 25 H ALA 25 -15.258 -18.325 12.127 192 HA ALA 25 HA ALA 25 -14.025 -19.145 14.475 193 HB1 ALA 25 1HB ALA 25 -14.379 -20.574 12.445 194 HB2 ALA 25 2HB ALA 25 -13.088 -19.680 11.615 195 HB3 ALA 25 3HB ALA 25 -12.725 -20.660 13.056 196 H GLY 26 H GLY 26 -12.155 -18.570 15.556 197 HA2 GLY 26 2HA GLY 26 -10.100 -16.994 14.114 198 HA3 GLY 26 3HA GLY 26 -10.836 -16.357 15.598 199 H GLY 27 H GLY 27 -8.083 -17.029 15.139 200 HA2 GLY 27 2HA GLY 27 -7.554 -19.523 16.651 201 HA3 GLY 27 3HA GLY 27 -6.375 -18.425 15.913 202 H GLN 28 H GLN 28 -5.230 -18.535 17.962 203 HA GLN 28 HA GLN 28 -6.406 -17.509 20.400 204 HB2 GLN 28 2HB GLN 28 -4.215 -17.718 21.308 205 HB3 GLN 28 3HB GLN 28 -4.604 -19.141 20.352 206 HG2 GLN 28 2HG GLN 28 -2.605 -18.929 19.382 207 HG3 GLN 28 3HG GLN 28 -3.248 -17.558 18.489 208 HE21 GLN 28 1HE2 GLN 28 -1.834 -18.322 21.716 209 HE22 GLN 28 2HE2 GLN 28 -0.797 -16.891 21.768 210 H HIS 29 H HIS 29 -5.399 -15.970 17.565 211 HA HIS 29 HA HIS 29 -5.342 -13.341 18.905 212 HB2 HIS 29 2HB HIS 29 -3.026 -13.907 18.631 213 HB3 HIS 29 3HB HIS 29 -3.284 -14.457 16.974 214 HD1 HIS 29 1HD HIS 29 -1.526 -12.703 16.004 215 HD2 HIS 29 2HD HIS 29 -4.825 -11.077 18.097 216 HE1 HIS 29 1HE HIS 29 -1.571 -10.232 15.475 217 H VAL 30 H VAL 30 -7.250 -12.636 18.149 218 HA VAL 30 HA VAL 30 -7.577 -12.303 15.253 219 HB VAL 30 HB VAL 30 -8.614 -14.433 15.769 220 HG11 VAL 30 1HG1 VAL 30 -10.288 -12.980 17.845 221 HG12 VAL 30 2HG1 VAL 30 -10.624 -14.611 17.224 222 HG13 VAL 30 3HG1 VAL 30 -9.130 -14.303 18.106 223 HG21 VAL 30 3HG2 VAL 30 -10.758 -14.117 14.825 224 HG22 VAL 30 1HG2 VAL 30 -10.822 -12.417 15.319 225 HG23 VAL 30 2HG2 VAL 30 -9.648 -12.952 14.075 226 H ASN 31 H ASN 31 -9.222 -10.652 14.794 227 HA ASN 31 HA ASN 31 -9.266 -8.496 16.844 228 HB2 ASN 31 2HB ASN 31 -9.496 -6.968 14.985 229 HB3 ASN 31 3HB ASN 31 -8.131 -8.019 14.647 230 HD21 ASN 31 1HD2 ASN 31 -8.264 -9.402 12.770 231 HD22 ASN 31 2HD2 ASN 31 -9.675 -9.353 11.713 232 H LYS 32 H LYS 32 -11.368 -7.107 16.697 233 HA LYS 32 HA LYS 32 -13.678 -8.984 16.629 234 HB2 LYS 32 2HB LYS 32 -13.222 -6.266 17.895 235 HB3 LYS 32 3HB LYS 32 -14.838 -6.908 17.641 236 HG2 LYS 32 2HG LYS 32 -14.405 -7.566 19.780 237 HG3 LYS 32 3HG LYS 32 -14.117 -9.025 18.856 238 HD2 LYS 32 2HD LYS 32 -11.637 -8.559 18.999 239 HD3 LYS 32 3HD LYS 32 -12.004 -7.096 19.918 240 HE2 LYS 32 2HE LYS 32 -11.294 -8.908 21.386 241 HE3 LYS 32 3HE LYS 32 -12.960 -8.428 21.742 242 HZ1 LYS 32 3HZ LYS 32 -12.456 -10.653 19.894 243 HZ2 LYS 32 1HZ LYS 32 -13.762 -10.378 20.849 244 HZ3 LYS 32 2HZ LYS 32 -12.348 -10.915 21.508 245 H THR 33 H THR 33 -12.439 -6.358 14.634 246 HA THR 33 HA THR 33 -15.051 -5.756 13.566 247 HB THR 33 HB THR 33 -13.242 -4.114 13.830 248 HG1 THR 33 1HG THR 33 -14.712 -3.445 12.520 249 HG21 THR 33 3HG2 THR 33 -11.494 -3.889 12.202 250 HG22 THR 33 1HG2 THR 33 -11.899 -5.449 11.454 251 HG23 THR 33 2HG2 THR 33 -11.264 -5.380 13.119 252 H SER 34 H SER 34 -14.862 -5.674 10.900 253 HA SER 34 HA SER 34 -14.210 -8.421 9.976 254 HB2 SER 34 2HB SER 34 -16.930 -7.182 9.447 255 HB3 SER 34 3HB SER 34 -16.365 -8.813 9.040 256 HG SER 34 HG SER 34 -16.953 -9.438 10.932 257 H THR 35 H THR 35 -15.930 -5.632 8.456 258 HA THR 35 HA THR 35 -14.739 -5.729 5.960 259 HB THR 35 HB THR 35 -16.018 -3.352 7.369 260 HG1 THR 35 1HG THR 35 -17.984 -4.334 7.003 261 HG21 THR 35 3HG2 THR 35 -16.286 -4.364 4.498 262 HG22 THR 35 1HG2 THR 35 -15.275 -3.004 5.025 263 HG23 THR 35 2HG2 THR 35 -17.033 -2.906 5.190 264 H ALA 36 H ALA 36 -12.433 -5.901 6.478 265 HA ALA 36 HA ALA 36 -11.135 -3.253 7.014 266 HB1 ALA 36 1HB ALA 36 -10.758 -4.937 8.729 267 HB2 ALA 36 2HB ALA 36 -10.174 -6.092 7.524 268 HB3 ALA 36 3HB ALA 36 -9.253 -4.596 7.847 269 H ILE 37 H ILE 37 -8.715 -3.386 6.112 270 HA ILE 37 HA ILE 37 -8.766 -4.389 3.308 271 HB ILE 37 HB ILE 37 -8.178 -1.575 4.283 272 HG12 ILE 37 2HG1 ILE 37 -10.519 -1.987 3.550 273 HG13 ILE 37 3HG1 ILE 37 -9.671 -0.844 2.537 274 HG21 ILE 37 1HG2 ILE 37 -6.270 -1.961 2.929 275 HG22 ILE 37 2HG2 ILE 37 -7.201 -2.852 1.707 276 HG23 ILE 37 3HG2 ILE 37 -7.406 -1.117 1.892 277 HD11 ILE 37 3HD1 ILE 37 -10.954 -2.243 1.104 278 HD12 ILE 37 1HD1 ILE 37 -9.271 -2.695 0.846 279 HD13 ILE 37 2HD1 ILE 37 -10.314 -3.721 1.853 280 H HIS 38 H HIS 38 -6.883 -5.017 2.492 281 HA HIS 38 HA HIS 38 -4.560 -5.280 4.294 282 HB2 HIS 38 2HB HIS 38 -5.729 -7.432 3.547 283 HB3 HIS 38 3HB HIS 38 -5.316 -7.012 1.893 284 HD1 HIS 38 1HD HIS 38 -2.656 -7.485 1.196 285 HD2 HIS 38 2HD HIS 38 -3.809 -8.273 5.169 286 HE1 HIS 38 1HE HIS 38 -0.778 -8.773 2.273 287 H LEU 39 H LEU 39 -2.662 -4.391 3.440 288 HA LEU 39 HA LEU 39 -2.694 -3.356 0.636 289 HB2 LEU 39 2HB LEU 39 -3.283 -1.520 2.036 290 HB3 LEU 39 3HB LEU 39 -2.050 -1.899 3.239 291 HG LEU 39 HG LEU 39 -1.210 -1.313 0.408 292 HD11 LEU 39 1HD1 LEU 39 -1.697 0.938 2.372 293 HD12 LEU 39 2HD1 LEU 39 -2.821 0.495 1.063 294 HD13 LEU 39 3HD1 LEU 39 -1.199 1.024 0.676 295 HD21 LEU 39 3HD2 LEU 39 0.721 -0.158 1.652 296 HD22 LEU 39 1HD2 LEU 39 0.650 -1.865 1.972 297 HD23 LEU 39 2HD2 LEU 39 0.012 -0.721 3.171 298 H ARG 40 H ARG 40 -0.964 -4.337 -0.425 299 HA ARG 40 HA ARG 40 1.368 -5.107 1.192 300 HB2 ARG 40 2HB ARG 40 -0.008 -6.987 0.433 301 HB3 ARG 40 3HB ARG 40 0.090 -6.416 -1.233 302 HG2 ARG 40 2HG ARG 40 2.480 -6.827 -1.348 303 HG3 ARG 40 3HG ARG 40 2.523 -7.130 0.406 304 HD2 ARG 40 2HD ARG 40 2.508 -9.293 -0.616 305 HD3 ARG 40 3HD ARG 40 0.890 -8.992 0.065 306 HE ARG 40 HE ARG 40 -0.046 -9.040 -1.999 307 HH11 ARG 40 1HH1 ARG 40 3.527 -8.779 -2.723 308 HH12 ARG 40 2HH1 ARG 40 3.305 -9.607 -4.179 309 HH21 ARG 40 1HH2 ARG 40 -0.196 -9.804 -4.051 310 HH22 ARG 40 2HH2 ARG 40 1.189 -9.911 -5.090 311 H PHE 41 H PHE 41 3.166 -4.099 0.569 312 HA PHE 41 HA PHE 41 3.375 -2.803 -2.094 313 HB2 PHE 41 2HB PHE 41 3.357 -1.135 -0.224 314 HB3 PHE 41 3HB PHE 41 4.619 -2.035 0.579 315 HD1 PHE 41 2HD PHE 41 4.162 -1.031 -2.993 316 HD2 PHE 41 1HD PHE 41 6.448 -0.617 0.606 317 HE1 PHE 41 2HE PHE 41 5.885 0.209 -4.270 318 HE2 PHE 41 1HE PHE 41 8.215 0.621 -0.647 319 HZ PHE 41 HZ PHE 41 7.929 1.006 -3.116 320 H ASP 42 H ASP 42 4.647 -3.955 -3.381 321 HA ASP 42 HA ASP 42 6.709 -5.799 -2.413 322 HB2 ASP 42 2HB ASP 42 5.531 -5.121 -5.131 323 HB3 ASP 42 3HB ASP 42 6.883 -6.231 -4.918 324 H ILE 43 H ILE 43 8.557 -4.548 -1.761 325 HA ILE 43 HA ILE 43 9.405 -2.184 -3.076 326 HB ILE 43 HB ILE 43 10.881 -4.235 -1.375 327 HG12 ILE 43 2HG1 ILE 43 11.041 -1.907 -0.042 328 HG13 ILE 43 3HG1 ILE 43 9.628 -1.495 -0.980 329 HG21 ILE 43 1HG2 ILE 43 12.785 -2.621 -1.224 330 HG22 ILE 43 2HG2 ILE 43 12.643 -3.427 -2.767 331 HG23 ILE 43 3HG2 ILE 43 12.092 -1.741 -2.620 332 HD11 ILE 43 3HD1 ILE 43 8.391 -3.328 0.042 333 HD12 ILE 43 1HD1 ILE 43 9.871 -4.003 0.766 334 HD13 ILE 43 2HD1 ILE 43 9.291 -2.456 1.325 335 H ARG 44 H ARG 44 10.340 -5.604 -3.720 336 HA ARG 44 HA ARG 44 12.260 -4.896 -5.753 337 HB2 ARG 44 2HB ARG 44 10.731 -7.473 -5.211 338 HB3 ARG 44 3HB ARG 44 11.994 -7.349 -6.414 339 HG2 ARG 44 2HG ARG 44 12.414 -6.736 -3.437 340 HG3 ARG 44 3HG ARG 44 12.783 -8.281 -4.190 341 HD2 ARG 44 2HD ARG 44 14.029 -5.627 -4.961 342 HD3 ARG 44 3HD ARG 44 14.797 -6.882 -3.967 343 HE ARG 44 HE ARG 44 14.009 -8.151 -6.318 344 HH11 ARG 44 1HH1 ARG 44 16.364 -5.575 -5.524 345 HH12 ARG 44 2HH1 ARG 44 17.185 -5.721 -7.026 346 HH21 ARG 44 1HH2 ARG 44 15.100 -8.355 -8.219 347 HH22 ARG 44 2HH2 ARG 44 16.593 -7.544 -8.513 348 H ALA 45 H ALA 45 8.935 -4.574 -5.919 349 HA ALA 45 HA ALA 45 8.967 -4.689 -8.903 350 HB1 ALA 45 1HB ALA 45 6.602 -4.900 -7.020 351 HB2 ALA 45 2HB ALA 45 6.561 -5.055 -8.776 352 HB3 ALA 45 3HB ALA 45 7.404 -6.288 -7.805 353 H SER 46 H SER 46 9.361 -2.466 -6.533 354 HA SER 46 HA SER 46 7.528 -0.434 -7.665 355 HB2 SER 46 2HB SER 46 8.007 0.781 -5.662 356 HB3 SER 46 3HB SER 46 7.735 -0.906 -5.199 357 HG SER 46 HG SER 46 10.031 -1.159 -5.095 358 H SER 47 H SER 47 8.363 1.771 -7.902 359 HA SER 47 HA SER 47 10.842 1.835 -9.481 360 HB2 SER 47 2HB SER 47 8.433 2.870 -9.899 361 HB3 SER 47 3HB SER 47 9.086 4.211 -8.938 362 HG SER 47 HG SER 47 9.305 4.408 -11.201 363 H LEU 48 H LEU 48 10.512 1.905 -6.217 364 HA LEU 48 HA LEU 48 11.610 4.338 -5.376 365 HB2 LEU 48 2HB LEU 48 11.750 1.518 -4.200 366 HB3 LEU 48 3HB LEU 48 12.370 2.916 -3.349 367 HG LEU 48 HG LEU 48 9.470 2.487 -4.166 368 HD11 LEU 48 1HD1 LEU 48 9.122 2.469 -1.678 369 HD12 LEU 48 2HD1 LEU 48 10.877 2.532 -1.451 370 HD13 LEU 48 3HD1 LEU 48 10.139 1.126 -2.244 371 HD21 LEU 48 3HD2 LEU 48 10.058 4.908 -4.200 372 HD22 LEU 48 1HD2 LEU 48 10.699 4.754 -2.548 373 HD23 LEU 48 2HD2 LEU 48 8.971 4.500 -2.893 374 HA PRO 49 HA PRO 49 15.842 4.301 -6.442 375 HB2 PRO 49 2HB PRO 49 17.000 5.656 -4.319 376 HB3 PRO 49 3HB PRO 49 15.985 6.434 -5.567 377 HG2 PRO 49 2HG PRO 49 15.157 5.463 -2.844 378 HG3 PRO 49 3HG PRO 49 14.823 7.056 -3.586 379 HD2 PRO 49 2HD PRO 49 12.985 5.085 -3.630 380 HD3 PRO 49 3HD PRO 49 13.216 6.114 -5.074 381 H GLU 50 H GLU 50 17.890 3.363 -5.926 382 HA GLU 50 HA GLU 50 17.885 0.883 -4.733 383 HB2 GLU 50 2HB GLU 50 20.313 0.921 -4.907 384 HB3 GLU 50 3HB GLU 50 19.621 1.762 -6.297 385 HG2 GLU 50 2HG GLU 50 20.020 3.955 -5.022 386 HG3 GLU 50 3HG GLU 50 20.940 2.999 -3.847 387 H TYR 51 H TYR 51 18.782 3.973 -3.215 388 HA TYR 51 HA TYR 51 19.756 3.081 -0.759 389 HB2 TYR 51 2HB TYR 51 19.786 5.412 -1.685 390 HB3 TYR 51 3HB TYR 51 18.080 5.574 -1.323 391 HD1 TYR 51 2HD TYR 51 17.324 5.511 1.164 392 HD2 TYR 51 1HD TYR 51 21.472 5.729 -0.044 393 HE1 TYR 51 2HE TYR 51 17.932 6.408 3.390 394 HE2 TYR 51 1HE TYR 51 22.069 6.638 2.162 395 HH TYR 51 HH TYR 51 21.077 7.839 4.028 396 H TYR 52 H TYR 52 16.381 3.953 -1.658 397 HA TYR 52 HA TYR 52 15.263 3.173 0.878 398 HB2 TYR 52 2HB TYR 52 14.024 3.680 -1.843 399 HB3 TYR 52 3HB TYR 52 13.104 3.067 -0.499 400 HD1 TYR 52 2HD TYR 52 15.734 5.846 -0.622 401 HD2 TYR 52 1HD TYR 52 11.661 4.680 0.276 402 HE1 TYR 52 2HE TYR 52 15.372 7.991 0.478 403 HE2 TYR 52 1HE TYR 52 11.297 6.840 1.360 404 HH TYR 52 HH TYR 52 13.995 9.003 2.052 405 H LYS 53 H LYS 53 15.897 1.423 -2.212 406 HA LYS 53 HA LYS 53 14.378 -0.884 -1.499 407 HB2 LYS 53 2HB LYS 53 16.816 -0.726 -3.303 408 HB3 LYS 53 3HB LYS 53 15.746 -2.105 -3.124 409 HG2 LYS 53 2HG LYS 53 14.012 0.116 -3.630 410 HG3 LYS 53 3HG LYS 53 15.391 0.323 -4.726 411 HD2 LYS 53 2HD LYS 53 15.059 -1.928 -5.609 412 HD3 LYS 53 3HD LYS 53 13.720 -2.217 -4.481 413 HE2 LYS 53 2HE LYS 53 12.462 -0.325 -5.458 414 HE3 LYS 53 3HE LYS 53 13.787 -0.004 -6.571 415 HZ1 LYS 53 3HZ LYS 53 13.390 -2.251 -7.496 416 HZ2 LYS 53 1HZ LYS 53 12.098 -1.270 -7.665 417 HZ3 LYS 53 2HZ LYS 53 12.110 -2.427 -6.490 418 H GLU 54 H GLU 54 17.897 -0.259 -1.003 419 HA GLU 54 HA GLU 54 18.221 -2.654 0.504 420 HB2 GLU 54 2HB GLU 54 19.821 -0.090 0.908 421 HB3 GLU 54 3HB GLU 54 20.264 -1.729 1.368 422 HG2 GLU 54 2HG GLU 54 19.897 -2.202 -1.243 423 HG3 GLU 54 3HG GLU 54 20.287 -0.482 -1.365 424 H ARG 55 H ARG 55 17.257 0.644 1.573 425 HA ARG 55 HA ARG 55 17.450 0.002 4.397 426 HB2 ARG 55 2HB ARG 55 16.259 2.214 2.789 427 HB3 ARG 55 3HB ARG 55 15.491 1.901 4.345 428 HG2 ARG 55 2HG ARG 55 17.160 3.624 4.669 429 HG3 ARG 55 3HG ARG 55 17.701 2.150 5.490 430 HD2 ARG 55 2HD ARG 55 18.962 1.625 3.432 431 HD3 ARG 55 3HD ARG 55 18.553 3.225 2.773 432 HE ARG 55 HE ARG 55 19.752 3.624 5.298 433 HH11 ARG 55 1HH1 ARG 55 20.627 2.451 2.066 434 HH12 ARG 55 2HH1 ARG 55 22.318 2.705 2.236 435 HH21 ARG 55 1HH2 ARG 55 22.009 4.168 5.497 436 HH22 ARG 55 2HH2 ARG 55 23.112 3.619 4.286 437 H LEU 56 H LEU 56 14.542 -0.020 2.169 438 HA LEU 56 HA LEU 56 12.895 -1.018 4.287 439 HB2 LEU 56 2HB LEU 56 12.510 -1.081 1.300 440 HB3 LEU 56 3HB LEU 56 11.264 -1.418 2.512 441 HG LEU 56 HG LEU 56 12.568 1.241 1.829 442 HD11 LEU 56 1HD1 LEU 56 9.638 0.554 2.129 443 HD12 LEU 56 2HD1 LEU 56 10.522 0.447 0.596 444 HD13 LEU 56 3HD1 LEU 56 10.376 2.010 1.416 445 HD21 LEU 56 3HD2 LEU 56 10.954 0.647 4.316 446 HD22 LEU 56 1HD2 LEU 56 11.284 2.265 3.654 447 HD23 LEU 56 2HD2 LEU 56 12.626 1.275 4.205 448 H LEU 57 H LEU 57 15.172 -2.649 2.068 449 HA LEU 57 HA LEU 57 13.848 -5.237 2.459 450 HB2 LEU 57 2HB LEU 57 16.499 -4.314 1.269 451 HB3 LEU 57 3HB LEU 57 16.293 -6.003 1.669 452 HG LEU 57 HG LEU 57 14.247 -4.635 -0.067 453 HD11 LEU 57 1HD1 LEU 57 16.782 -5.960 -1.002 454 HD12 LEU 57 2HD1 LEU 57 16.387 -4.230 -1.085 455 HD13 LEU 57 3HD1 LEU 57 15.403 -5.425 -2.012 456 HD21 LEU 57 3HD2 LEU 57 13.735 -6.867 -0.831 457 HD22 LEU 57 1HD2 LEU 57 13.822 -6.960 0.945 458 HD23 LEU 57 2HD2 LEU 57 15.169 -7.541 -0.027 459 H ALA 58 H ALA 58 16.355 -3.259 4.019 460 HA ALA 58 HA ALA 58 17.187 -5.427 5.849 461 HB1 ALA 58 1HB ALA 58 17.987 -2.483 5.596 462 HB2 ALA 58 2HB ALA 58 18.763 -3.688 6.643 463 HB3 ALA 58 3HB ALA 58 18.849 -3.855 4.871 464 H ALA 59 H ALA 59 14.655 -3.244 5.731 465 HA ALA 59 HA ALA 59 14.432 -2.074 8.247 466 HB1 ALA 59 1HB ALA 59 11.964 -2.073 7.697 467 HB2 ALA 59 2HB ALA 59 13.010 -1.416 6.416 468 HB3 ALA 59 3HB ALA 59 12.322 -3.066 6.293 469 H SER 60 H SER 60 13.955 -2.737 10.219 470 HA SER 60 HA SER 60 13.111 -5.544 10.675 471 HB2 SER 60 2HB SER 60 15.153 -4.583 11.808 472 HB3 SER 60 3HB SER 60 14.119 -3.406 12.608 473 HG SER 60 HG SER 60 14.413 -5.179 13.945 474 H HIS 61 H HIS 61 10.877 -5.269 10.099 475 HA HIS 61 HA HIS 61 9.307 -3.782 12.140 476 HB2 HIS 61 2HB HIS 61 9.583 -2.639 9.692 477 HB3 HIS 61 3HB HIS 61 8.299 -3.749 9.317 478 HD1 HIS 61 1HD HIS 61 6.283 -3.506 11.686 479 HD2 HIS 61 2HD HIS 61 8.616 -0.305 10.206 480 HE1 HIS 61 1HE HIS 61 5.044 -1.421 12.242 481 H HIS 62 H HIS 62 7.625 -5.021 12.923 482 HA HIS 62 HA HIS 62 7.323 -7.717 12.237 483 HB2 HIS 62 2HB HIS 62 5.420 -7.699 13.721 484 HB3 HIS 62 3HB HIS 62 6.666 -6.658 14.391 485 HD1 HIS 62 1HD HIS 62 5.981 -4.092 14.707 486 HD2 HIS 62 2HD HIS 62 3.162 -6.539 12.755 487 HE1 HIS 62 1HE HIS 62 3.804 -2.773 14.643 488 H LEU 63 H LEU 63 6.425 -5.225 10.304 489 HA LEU 63 HA LEU 63 4.040 -6.491 9.045 490 HB2 LEU 63 2HB LEU 63 5.167 -3.666 9.065 491 HB3 LEU 63 3HB LEU 63 3.846 -4.158 8.021 492 HG LEU 63 HG LEU 63 3.864 -4.033 11.049 493 HD11 LEU 63 1HD1 LEU 63 3.657 -1.867 9.894 494 HD12 LEU 63 2HD1 LEU 63 2.178 -2.300 10.781 495 HD13 LEU 63 3HD1 LEU 63 2.240 -2.480 9.006 496 HD21 LEU 63 3HD2 LEU 63 1.438 -4.625 10.954 497 HD22 LEU 63 1HD2 LEU 63 2.468 -5.952 10.434 498 HD23 LEU 63 2HD2 LEU 63 1.606 -4.979 9.224 499 H ILE 64 H ILE 64 7.493 -6.128 8.594 500 HA ILE 64 HA ILE 64 7.139 -6.375 5.655 501 HB ILE 64 HB ILE 64 9.513 -5.417 7.302 502 HG12 ILE 64 2HG1 ILE 64 7.574 -3.912 5.507 503 HG13 ILE 64 3HG1 ILE 64 7.549 -3.828 7.252 504 HG21 ILE 64 1HG2 ILE 64 9.116 -5.537 4.262 505 HG22 ILE 64 2HG2 ILE 64 10.506 -4.795 5.094 506 HG23 ILE 64 3HG2 ILE 64 10.265 -6.498 5.228 507 HD11 ILE 64 3HD1 ILE 64 9.747 -2.801 5.452 508 HD12 ILE 64 1HD1 ILE 64 8.635 -1.898 6.482 509 HD13 ILE 64 2HD1 ILE 64 9.863 -2.947 7.231 510 H SER 65 H SER 65 7.954 -8.061 4.637 511 HA SER 65 HA SER 65 8.941 -10.378 6.242 512 HB2 SER 65 2HB SER 65 7.053 -10.544 4.459 513 HB3 SER 65 3HB SER 65 8.324 -10.313 3.256 514 HG SER 65 HG SER 65 7.900 -12.534 3.701 515 H SER 66 H SER 66 11.025 -11.368 5.602 516 HA SER 66 HA SER 66 13.114 -9.622 5.077 517 HB2 SER 66 2HB SER 66 14.370 -11.785 4.606 518 HB3 SER 66 3HB SER 66 13.478 -11.733 6.145 519 HG SER 66 HG SER 66 13.081 -13.678 5.063 520 H ASP 67 H ASP 67 11.017 -11.198 2.840 521 HA ASP 67 HA ASP 67 12.613 -11.104 0.451 522 HB2 ASP 67 2HB ASP 67 9.758 -11.691 1.209 523 HB3 ASP 67 3HB ASP 67 9.976 -11.073 -0.427 524 H GLY 68 H GLY 68 11.156 -8.619 2.245 525 HA2 GLY 68 2HA GLY 68 11.199 -6.396 1.877 526 HA3 GLY 68 3HA GLY 68 11.731 -6.623 0.187 527 H VAL 69 H VAL 69 8.893 -7.471 2.200 528 HA VAL 69 HA VAL 69 7.141 -6.185 0.214 529 HB VAL 69 HB VAL 69 6.695 -9.003 1.316 530 HG11 VAL 69 1HG1 VAL 69 5.043 -7.221 -0.544 531 HG12 VAL 69 2HG1 VAL 69 4.733 -8.938 -0.268 532 HG13 VAL 69 3HG1 VAL 69 4.587 -7.799 1.077 533 HG21 VAL 69 3HG2 VAL 69 7.308 -8.045 -1.504 534 HG22 VAL 69 1HG2 VAL 69 8.383 -9.044 -0.489 535 HG23 VAL 69 2HG2 VAL 69 6.857 -9.693 -1.072 536 H ILE 70 H ILE 70 5.947 -4.773 1.384 537 HA ILE 70 HA ILE 70 5.842 -4.993 4.356 538 HB ILE 70 HB ILE 70 4.994 -2.647 2.599 539 HG12 ILE 70 2HG1 ILE 70 7.776 -3.400 3.435 540 HG13 ILE 70 3HG1 ILE 70 7.147 -2.751 1.935 541 HG21 ILE 70 1HG2 ILE 70 5.239 -1.297 4.614 542 HG22 ILE 70 2HG2 ILE 70 4.099 -2.616 4.871 543 HG23 ILE 70 3HG2 ILE 70 5.741 -2.736 5.520 544 HD11 ILE 70 3HD1 ILE 70 7.545 -1.149 4.495 545 HD12 ILE 70 1HD1 ILE 70 8.594 -1.150 3.087 546 HD13 ILE 70 2HD1 ILE 70 6.942 -0.512 2.945 547 H VAL 71 H VAL 71 3.846 -5.615 5.271 548 HA VAL 71 HA VAL 71 1.446 -5.353 3.560 549 HB VAL 71 HB VAL 71 0.490 -7.304 4.799 550 HG11 VAL 71 1HG1 VAL 71 1.318 -8.911 3.215 551 HG12 VAL 71 2HG1 VAL 71 1.101 -7.343 2.444 552 HG13 VAL 71 3HG1 VAL 71 2.742 -7.901 2.856 553 HG21 VAL 71 3HG2 VAL 71 2.168 -7.570 6.565 554 HG22 VAL 71 1HG2 VAL 71 1.973 -9.041 5.596 555 HG23 VAL 71 2HG2 VAL 71 3.393 -8.005 5.330 556 H ILE 72 H ILE 72 -0.287 -4.432 4.523 557 HA ILE 72 HA ILE 72 -0.070 -3.733 7.413 558 HB ILE 72 HB ILE 72 -0.910 -1.893 5.130 559 HG12 ILE 72 2HG1 ILE 72 1.668 -1.966 6.744 560 HG13 ILE 72 3HG1 ILE 72 1.475 -2.170 5.008 561 HG21 ILE 72 1HG2 ILE 72 -2.135 -1.461 7.240 562 HG22 ILE 72 2HG2 ILE 72 -0.573 -1.277 8.086 563 HG23 ILE 72 3HG2 ILE 72 -1.078 -0.147 6.800 564 HD11 ILE 72 3HD1 ILE 72 0.538 0.265 5.027 565 HD12 ILE 72 1HD1 ILE 72 1.346 0.369 6.597 566 HD13 ILE 72 2HD1 ILE 72 2.280 -0.047 5.136 567 H LYS 73 H LYS 73 -2.000 -3.848 8.477 568 HA LYS 73 HA LYS 73 -4.435 -4.630 6.938 569 HB2 LYS 73 2HB LYS 73 -3.556 -5.774 9.628 570 HB3 LYS 73 3HB LYS 73 -5.024 -6.168 8.721 571 HG2 LYS 73 2HG LYS 73 -3.537 -6.901 6.806 572 HG3 LYS 73 3HG LYS 73 -2.138 -6.715 7.864 573 HD2 LYS 73 2HD LYS 73 -3.107 -8.398 9.426 574 HD3 LYS 73 3HD LYS 73 -4.480 -8.594 8.295 575 HE2 LYS 73 2HE LYS 73 -2.726 -9.110 6.495 576 HE3 LYS 73 3HE LYS 73 -1.524 -9.145 7.763 577 HZ1 LYS 73 3HZ LYS 73 -2.786 -11.033 8.735 578 HZ2 LYS 73 1HZ LYS 73 -2.339 -11.337 7.194 579 HZ3 LYS 73 2HZ LYS 73 -3.891 -10.908 7.541 580 H ALA 74 H ALA 74 -5.381 -2.696 6.954 581 HA ALA 74 HA ALA 74 -5.320 -0.955 9.358 582 HB1 ALA 74 1HB ALA 74 -6.275 -0.500 6.494 583 HB2 ALA 74 2HB ALA 74 -6.248 0.709 7.789 584 HB3 ALA 74 3HB ALA 74 -4.727 0.045 7.185 585 H GLN 75 H GLN 75 -7.009 -1.173 10.773 586 HA GLN 75 HA GLN 75 -9.693 -1.686 9.685 587 HB2 GLN 75 2HB GLN 75 -9.239 -3.379 12.037 588 HB3 GLN 75 3HB GLN 75 -10.022 -3.717 10.508 589 HG2 GLN 75 2HG GLN 75 -7.696 -4.180 9.546 590 HG3 GLN 75 3HG GLN 75 -7.080 -4.027 11.192 591 HE21 GLN 75 1HE2 GLN 75 -8.471 -6.148 8.893 592 HE22 GLN 75 2HE2 GLN 75 -9.092 -7.370 9.969 593 H GLU 76 H GLU 76 -10.691 0.055 10.462 594 HA GLU 76 HA GLU 76 -10.855 0.650 13.369 595 HB2 GLU 76 2HB GLU 76 -9.819 2.605 11.269 596 HB3 GLU 76 3HB GLU 76 -10.552 3.113 12.786 597 HG2 GLU 76 2HG GLU 76 -8.809 1.997 14.080 598 HG3 GLU 76 3HG GLU 76 -8.057 1.420 12.580 599 H TYR 77 H TYR 77 -11.796 1.420 9.994 600 HA TYR 77 HA TYR 77 -14.300 2.704 10.894 601 HB2 TYR 77 2HB TYR 77 -13.115 2.275 8.120 602 HB3 TYR 77 3HB TYR 77 -14.497 3.280 8.520 603 HD1 TYR 77 1HD TYR 77 -10.785 2.958 8.981 604 HD2 TYR 77 2HD TYR 77 -14.201 5.587 9.100 605 HE1 TYR 77 1HE TYR 77 -9.280 4.890 9.231 606 HE2 TYR 77 2HE TYR 77 -12.705 7.530 9.131 607 HH TYR 77 HH TYR 77 -9.090 7.171 9.234 608 H ARG 78 H ARG 78 -16.353 1.985 9.912 609 HA ARG 78 HA ARG 78 -16.455 -0.957 9.719 610 HB2 ARG 78 2HB ARG 78 -18.129 0.725 10.964 611 HB3 ARG 78 3HB ARG 78 -18.886 0.739 9.371 612 HG2 ARG 78 2HG ARG 78 -18.575 -1.929 9.618 613 HG3 ARG 78 3HG ARG 78 -18.556 -1.528 11.336 614 HD2 ARG 78 2HD ARG 78 -20.695 -0.765 9.318 615 HD3 ARG 78 3HD ARG 78 -20.791 -2.145 10.427 616 HE ARG 78 HE ARG 78 -20.398 0.114 12.052 617 HH11 ARG 78 1HH1 ARG 78 -22.906 -0.951 9.729 618 HH12 ARG 78 2HH1 ARG 78 -24.145 -0.005 10.500 619 HH21 ARG 78 1HH2 ARG 78 -22.017 1.288 13.003 620 HH22 ARG 78 2HH2 ARG 78 -23.662 1.280 12.359 621 H SER 79 H SER 79 -16.005 1.603 7.497 622 HA SER 79 HA SER 79 -17.318 0.213 5.246 623 HB2 SER 79 2HB SER 79 -15.707 2.782 5.157 624 HB3 SER 79 3HB SER 79 -16.921 2.218 4.010 625 HG SER 79 HG SER 79 -17.694 3.880 5.231 626 H GLN 80 H GLN 80 -16.096 -0.743 3.642 627 HA GLN 80 HA GLN 80 -13.360 -1.381 4.185 628 HB2 GLN 80 2HB GLN 80 -15.392 -2.470 2.651 629 HB3 GLN 80 3HB GLN 80 -14.428 -1.730 1.397 630 HG2 GLN 80 2HG GLN 80 -12.874 -3.376 1.530 631 HG3 GLN 80 3HG GLN 80 -12.721 -3.195 3.276 632 HE21 GLN 80 1HE2 GLN 80 -12.599 -5.293 3.891 633 HE22 GLN 80 2HE2 GLN 80 -13.864 -6.470 3.645 634 H GLU 81 H GLU 81 -15.021 0.925 2.110 635 HA GLU 81 HA GLU 81 -12.970 2.060 0.631 636 HB2 GLU 81 2HB GLU 81 -15.477 2.318 0.445 637 HB3 GLU 81 3HB GLU 81 -15.395 3.480 1.758 638 HG2 GLU 81 2HG GLU 81 -15.533 4.705 -0.236 639 HG3 GLU 81 3HG GLU 81 -13.902 4.935 0.328 640 H LEU 82 H LEU 82 -13.594 2.581 4.050 641 HA LEU 82 HA LEU 82 -11.824 5.003 4.049 642 HB2 LEU 82 2HB LEU 82 -13.451 3.784 6.281 643 HB3 LEU 82 3HB LEU 82 -12.531 5.298 6.347 644 HG LEU 82 HG LEU 82 -14.958 4.734 4.606 645 HD11 LEU 82 1HD1 LEU 82 -15.471 4.931 6.963 646 HD12 LEU 82 2HD1 LEU 82 -16.130 6.289 6.046 647 HD13 LEU 82 3HD1 LEU 82 -14.667 6.529 7.015 648 HD21 LEU 82 3HD2 LEU 82 -13.616 6.271 3.380 649 HD22 LEU 82 1HD2 LEU 82 -13.309 7.263 4.836 650 HD23 LEU 82 2HD2 LEU 82 -14.933 7.176 4.119 651 H ASN 83 H ASN 83 -11.886 1.593 5.098 652 HA ASN 83 HA ASN 83 -9.536 1.912 6.740 653 HB2 ASN 83 2HB ASN 83 -10.826 -0.519 5.470 654 HB3 ASN 83 3HB ASN 83 -9.283 -0.617 6.340 655 HD21 ASN 83 1HD2 ASN 83 -12.520 -1.196 6.946 656 HD22 ASN 83 2HD2 ASN 83 -12.639 -0.641 8.548 657 H ARG 84 H ARG 84 -9.931 1.539 3.277 658 HA ARG 84 HA ARG 84 -7.181 0.913 2.661 659 HB2 ARG 84 2HB ARG 84 -7.788 1.974 0.396 660 HB3 ARG 84 3HB ARG 84 -8.629 0.511 0.872 661 HG2 ARG 84 2HG ARG 84 -10.632 1.521 1.188 662 HG3 ARG 84 3HG ARG 84 -9.925 3.071 1.654 663 HD2 ARG 84 2HD ARG 84 -9.510 2.164 -1.134 664 HD3 ARG 84 3HD ARG 84 -11.159 2.639 -0.688 665 HE ARG 84 HE ARG 84 -10.099 4.764 0.215 666 HH11 ARG 84 1HH1 ARG 84 -9.401 3.153 -2.839 667 HH12 ARG 84 2HH1 ARG 84 -8.514 4.431 -3.564 668 HH21 ARG 84 1HH2 ARG 84 -8.893 6.625 -0.727 669 HH22 ARG 84 2HH2 ARG 84 -8.139 6.371 -2.292 670 H GLU 85 H GLU 85 -8.792 4.030 3.363 671 HA GLU 85 HA GLU 85 -6.454 5.464 2.340 672 HB2 GLU 85 2HB GLU 85 -7.416 7.474 3.008 673 HB3 GLU 85 3HB GLU 85 -8.680 6.505 2.254 674 HG2 GLU 85 2HG GLU 85 -9.826 6.182 4.234 675 HG3 GLU 85 3HG GLU 85 -8.382 6.412 5.246 676 H ALA 86 H ALA 86 -7.390 3.958 5.336 677 HA ALA 86 HA ALA 86 -5.487 5.444 6.985 678 HB1 ALA 86 1HB ALA 86 -7.545 4.452 7.896 679 HB2 ALA 86 2HB ALA 86 -6.982 2.834 7.447 680 HB3 ALA 86 3HB ALA 86 -6.096 3.763 8.684 681 H ALA 87 H ALA 87 -5.507 2.534 4.977 682 HA ALA 87 HA ALA 87 -3.120 1.342 5.965 683 HB1 ALA 87 1HB ALA 87 -3.179 0.010 3.976 684 HB2 ALA 87 2HB ALA 87 -4.847 0.208 4.526 685 HB3 ALA 87 3HB ALA 87 -4.253 1.157 3.148 686 H LEU 88 H LEU 88 -3.647 3.654 3.166 687 HA LEU 88 HA LEU 88 -0.958 3.823 2.508 688 HB2 LEU 88 2HB LEU 88 -1.540 5.512 1.050 689 HB3 LEU 88 3HB LEU 88 -3.052 4.665 1.257 690 HG LEU 88 HG LEU 88 -3.324 6.595 3.187 691 HD11 LEU 88 1HD1 LEU 88 -1.171 7.688 2.644 692 HD12 LEU 88 2HD1 LEU 88 -2.552 8.746 2.312 693 HD13 LEU 88 3HD1 LEU 88 -1.726 7.922 0.972 694 HD21 LEU 88 3HD2 LEU 88 -4.917 7.621 1.880 695 HD22 LEU 88 1HD2 LEU 88 -4.835 6.008 1.176 696 HD23 LEU 88 2HD2 LEU 88 -4.024 7.348 0.360 697 H ALA 89 H ALA 89 -2.758 5.620 4.981 698 HA ALA 89 HA ALA 89 -0.729 7.468 5.599 699 HB1 ALA 89 1HB ALA 89 -1.877 7.785 7.739 700 HB2 ALA 89 2HB ALA 89 -3.065 7.662 6.422 701 HB3 ALA 89 3HB ALA 89 -2.791 6.280 7.514 702 H ARG 90 H ARG 90 -1.383 4.176 6.915 703 HA ARG 90 HA ARG 90 0.782 4.152 8.768 704 HB2 ARG 90 2HB ARG 90 -0.744 1.973 7.308 705 HB3 ARG 90 3HB ARG 90 0.494 1.619 8.508 706 HG2 ARG 90 2HG ARG 90 -0.773 2.699 10.263 707 HG3 ARG 90 3HG ARG 90 -1.982 3.295 9.104 708 HD2 ARG 90 2HD ARG 90 -2.680 1.053 8.551 709 HD3 ARG 90 3HD ARG 90 -1.348 0.348 9.477 710 HE ARG 90 HE ARG 90 -3.886 1.403 10.521 711 HH11 ARG 90 1HH1 ARG 90 -0.512 0.503 11.499 712 HH12 ARG 90 2HH1 ARG 90 -1.114 -0.103 13.025 713 HH21 ARG 90 1HH2 ARG 90 -4.478 0.584 12.505 714 HH22 ARG 90 2HH2 ARG 90 -3.259 0.034 13.643 715 H LEU 91 H LEU 91 0.644 3.261 5.222 716 HA LEU 91 HA LEU 91 3.205 2.064 5.233 717 HB2 LEU 91 2HB LEU 91 1.564 1.685 3.411 718 HB3 LEU 91 3HB LEU 91 1.637 3.390 2.973 719 HG LEU 91 HG LEU 91 4.021 3.168 2.436 720 HD11 LEU 91 1HD1 LEU 91 4.764 1.368 3.876 721 HD12 LEU 91 2HD1 LEU 91 5.055 0.900 2.204 722 HD13 LEU 91 3HD1 LEU 91 3.663 0.212 3.068 723 HD21 LEU 91 3HD2 LEU 91 2.498 2.935 0.639 724 HD22 LEU 91 1HD2 LEU 91 2.273 1.201 0.975 725 HD23 LEU 91 2HD2 LEU 91 3.833 1.810 0.388 726 H VAL 92 H VAL 92 2.112 5.358 4.300 727 HA VAL 92 HA VAL 92 4.648 6.400 3.731 728 HB VAL 92 HB VAL 92 2.175 7.711 4.939 729 HG11 VAL 92 1HG1 VAL 92 4.547 9.140 3.717 730 HG12 VAL 92 2HG1 VAL 92 2.967 9.890 4.020 731 HG13 VAL 92 3HG1 VAL 92 3.925 9.295 5.374 732 HG21 VAL 92 3HG2 VAL 92 1.951 6.663 2.624 733 HG22 VAL 92 1HG2 VAL 92 1.520 8.370 2.753 734 HG23 VAL 92 2HG2 VAL 92 3.099 7.909 2.072 735 H ALA 93 H ALA 93 3.071 5.936 6.876 736 HA ALA 93 HA ALA 93 4.912 7.557 8.381 737 HB1 ALA 93 1HB ALA 93 2.685 6.993 9.266 738 HB2 ALA 93 2HB ALA 93 3.103 5.270 9.292 739 HB3 ALA 93 3HB ALA 93 3.952 6.392 10.356 740 H MET 94 H MET 94 4.666 3.946 8.123 741 HA MET 94 HA MET 94 7.107 3.496 9.538 742 HB2 MET 94 2HB MET 94 6.988 1.221 8.701 743 HB3 MET 94 3HB MET 94 5.398 1.773 9.243 744 HG2 MET 94 2HG MET 94 4.879 2.329 6.834 745 HG3 MET 94 3HG MET 94 6.339 1.465 6.388 746 HE1 MET 94 3HE MET 94 5.948 -0.984 8.808 747 HE2 MET 94 1HE MET 94 5.410 -2.162 7.598 748 HE3 MET 94 2HE MET 94 6.717 -1.028 7.201 749 H ILE 95 H ILE 95 6.483 4.020 6.049 750 HA ILE 95 HA ILE 95 9.058 3.398 5.062 751 HB ILE 95 HB ILE 95 6.726 5.141 4.325 752 HG12 ILE 95 2HG1 ILE 95 8.279 2.961 2.855 753 HG13 ILE 95 3HG1 ILE 95 6.771 2.751 3.751 754 HG21 ILE 95 1HG2 ILE 95 8.928 5.390 2.355 755 HG22 ILE 95 2HG2 ILE 95 7.437 6.264 2.598 756 HG23 ILE 95 3HG2 ILE 95 8.770 6.576 3.683 757 HD11 ILE 95 3HD1 ILE 95 5.726 4.449 2.134 758 HD12 ILE 95 1HD1 ILE 95 7.193 4.276 1.150 759 HD13 ILE 95 2HD1 ILE 95 6.175 2.868 1.433 760 H LYS 96 H LYS 96 7.719 6.460 6.442 761 HA LYS 96 HA LYS 96 10.203 7.900 6.310 762 HB2 LYS 96 2HB LYS 96 7.507 8.421 7.627 763 HB3 LYS 96 3HB LYS 96 8.851 9.573 7.646 764 HG2 LYS 96 2HG LYS 96 8.934 9.737 5.264 765 HG3 LYS 96 3HG LYS 96 7.665 8.520 5.057 766 HD2 LYS 96 2HD LYS 96 6.028 9.930 6.166 767 HD3 LYS 96 3HD LYS 96 7.268 11.094 6.629 768 HE2 LYS 96 2HE LYS 96 7.782 11.384 4.136 769 HE3 LYS 96 3HE LYS 96 6.344 10.394 3.806 770 HZ1 LYS 96 3HZ LYS 96 5.862 12.763 3.733 771 HZ2 LYS 96 1HZ LYS 96 6.361 12.978 5.263 772 HZ3 LYS 96 2HZ LYS 96 5.021 12.090 4.961 773 H GLU 97 H GLU 97 9.980 5.329 8.062 774 HA GLU 97 HA GLU 97 11.413 6.437 10.436 775 HB2 GLU 97 2HB GLU 97 9.298 4.251 10.254 776 HB3 GLU 97 3HB GLU 97 10.459 4.335 11.558 777 HG2 GLU 97 2HG GLU 97 9.700 6.662 12.083 778 HG3 GLU 97 3HG GLU 97 8.527 6.578 10.775 779 H LEU 98 H LEU 98 11.031 3.965 8.007 780 HA LEU 98 HA LEU 98 13.380 2.395 8.795 781 HB2 LEU 98 2HB LEU 98 11.592 2.261 6.349 782 HB3 LEU 98 3HB LEU 98 12.787 1.035 6.803 783 HG LEU 98 HG LEU 98 10.494 1.878 8.579 784 HD11 LEU 98 1HD1 LEU 98 9.300 -0.141 7.818 785 HD12 LEU 98 2HD1 LEU 98 10.588 -0.424 6.617 786 HD13 LEU 98 3HD1 LEU 98 9.563 1.020 6.513 787 HD21 LEU 98 3HD2 LEU 98 11.859 0.816 10.045 788 HD22 LEU 98 1HD2 LEU 98 12.573 -0.250 8.838 789 HD23 LEU 98 2HD2 LEU 98 10.950 -0.586 9.472 790 H THR 99 H THR 99 12.900 5.081 6.796 791 HA THR 99 HA THR 99 15.635 4.632 5.509 792 HB THR 99 HB THR 99 14.988 6.076 3.622 793 HG1 THR 99 1HG THR 99 13.323 7.260 4.192 794 HG21 THR 99 3HG2 THR 99 13.262 3.614 4.050 795 HG22 THR 99 1HG2 THR 99 14.862 3.752 3.270 796 HG23 THR 99 2HG2 THR 99 13.479 4.458 2.499 797 H THR 100 H THR 100 13.745 6.795 7.487 798 HA THR 100 HA THR 100 15.955 8.606 7.830 799 HB THR 100 HB THR 100 14.312 9.329 5.988 800 HG1 THR 100 1HG THR 100 15.685 10.817 7.063 801 HG21 THR 100 3HG2 THR 100 12.454 9.969 8.291 802 HG22 THR 100 1HG2 THR 100 12.206 8.729 7.039 803 HG23 THR 100 2HG2 THR 100 12.252 10.440 6.591 804 H GLU 101 H GLU 101 15.569 9.673 10.000 805 HA GLU 101 HA GLU 101 13.708 8.088 11.725 806 HB2 GLU 101 2HB GLU 101 16.037 7.391 11.877 807 HB3 GLU 101 3HB GLU 101 16.563 9.049 12.199 808 HG2 GLU 101 2HG GLU 101 15.468 9.059 14.352 809 HG3 GLU 101 3HG GLU 101 14.581 7.580 13.959 810 H LYS 102 H LYS 102 12.081 9.636 11.541 811 HA LYS 102 HA LYS 102 12.474 12.113 13.045 812 HB2 LYS 102 2HB LYS 102 11.573 12.111 10.121 813 HB3 LYS 102 3HB LYS 102 11.338 13.466 11.213 814 HG2 LYS 102 2HG LYS 102 13.895 13.375 11.611 815 HG3 LYS 102 3HG LYS 102 13.946 12.333 10.175 816 HD2 LYS 102 2HD LYS 102 12.922 15.185 10.333 817 HD3 LYS 102 3HD LYS 102 14.463 14.642 9.652 818 HE2 LYS 102 2HE LYS 102 13.144 13.228 7.999 819 HE3 LYS 102 3HE LYS 102 11.669 14.052 8.577 820 HZ1 LYS 102 3HZ LYS 102 12.593 15.189 6.645 821 HZ2 LYS 102 1HZ LYS 102 14.052 15.281 7.375 822 HZ3 LYS 102 2HZ LYS 102 12.753 16.149 7.980 823 H LYS 103 H LYS 103 10.304 13.229 13.302 824 HA LYS 103 HA LYS 103 8.456 11.572 14.521 825 HB2 LYS 103 2HB LYS 103 8.680 13.957 14.980 826 HB3 LYS 103 3HB LYS 103 8.193 14.369 13.344 827 HG2 LYS 103 2HG LYS 103 6.399 14.845 14.895 828 HG3 LYS 103 3HG LYS 103 5.915 13.624 13.745 829 HD2 LYS 103 2HD LYS 103 5.066 13.045 15.939 830 HD3 LYS 103 3HD LYS 103 6.252 11.845 15.453 831 HE2 LYS 103 2HE LYS 103 6.518 12.412 17.797 832 HE3 LYS 103 3HE LYS 103 7.962 12.898 16.910 833 HZ1 LYS 103 3HZ LYS 103 5.762 14.757 17.626 834 HZ2 LYS 103 1HZ LYS 103 7.234 15.150 17.002 835 HZ3 LYS 103 2HZ LYS 103 7.156 14.569 18.506 836 H ALA 104 H ALA 104 7.073 10.081 13.726 837 HA ALA 104 HA ALA 104 6.429 9.782 10.990 838 HB1 ALA 104 1HB ALA 104 4.751 8.122 11.822 839 HB2 ALA 104 2HB ALA 104 6.331 7.924 12.587 840 HB3 ALA 104 3HB ALA 104 5.005 8.715 13.476 841 H ARG 105 H ARG 105 4.138 9.740 10.129 842 HA ARG 105 HA ARG 105 3.080 12.351 10.174 843 HB2 ARG 105 2HB ARG 105 2.879 10.783 8.265 844 HB3 ARG 105 3HB ARG 105 1.708 9.833 9.182 845 HG2 ARG 105 2HG ARG 105 0.594 11.309 7.562 846 HG3 ARG 105 3HG ARG 105 0.134 11.760 9.200 847 HD2 ARG 105 2HD ARG 105 1.503 13.715 9.138 848 HD3 ARG 105 3HD ARG 105 2.415 13.125 7.731 849 HE ARG 105 HE ARG 105 -0.377 13.392 7.114 850 HH11 ARG 105 1HH1 ARG 105 2.564 15.348 7.657 851 HH12 ARG 105 2HH1 ARG 105 2.076 16.592 6.527 852 HH21 ARG 105 1HH2 ARG 105 -1.005 15.186 5.691 853 HH22 ARG 105 2HH2 ARG 105 0.120 16.504 5.455 854 H ARG 106 H ARG 106 1.626 9.367 11.636 855 HA ARG 106 HA ARG 106 0.055 9.018 13.124 856 HB2 ARG 106 2HB ARG 106 0.945 11.542 14.457 857 HB3 ARG 106 3HB ARG 106 -0.170 10.307 15.082 858 HG2 ARG 106 2HG ARG 106 2.143 8.859 14.244 859 HG3 ARG 106 3HG ARG 106 2.765 10.319 15.010 860 HD2 ARG 106 2HD ARG 106 2.620 8.618 16.676 861 HD3 ARG 106 3HD ARG 106 1.355 9.796 17.034 862 HE ARG 106 HE ARG 106 -0.237 8.191 15.837 863 HH11 ARG 106 1HH1 ARG 106 2.596 6.928 17.638 864 HH12 ARG 106 2HH1 ARG 106 1.807 5.449 18.015 865 HH21 ARG 106 1HH2 ARG 106 -1.144 6.249 16.220 866 HH22 ARG 106 2HH2 ARG 106 -0.416 5.048 17.253 867 HA PRO 107 HA PRO 107 -2.988 11.507 10.823 868 HB2 PRO 107 2HB PRO 107 -4.733 9.491 10.236 869 HB3 PRO 107 3HB PRO 107 -3.195 9.738 9.349 870 HG2 PRO 107 2HG PRO 107 -3.752 7.825 11.629 871 HG3 PRO 107 3HG PRO 107 -2.937 7.484 10.067 872 HD2 PRO 107 2HD PRO 107 -1.570 8.057 12.394 873 HD3 PRO 107 3HD PRO 107 -0.940 8.535 10.784 874 H THR 108 H THR 108 -5.389 11.780 11.137 875 HA THR 108 HA THR 108 -6.398 11.172 13.850 876 HB THR 108 HB THR 108 -6.582 13.887 12.451 877 HG1 THR 108 1HG THR 108 -4.469 13.606 12.993 878 HG21 THR 108 3HG2 THR 108 -7.274 12.975 15.274 879 HG22 THR 108 1HG2 THR 108 -8.366 13.666 14.055 880 HG23 THR 108 2HG2 THR 108 -7.133 14.679 14.785 881 H ARG 109 H ARG 109 -8.868 11.509 13.824 882 HA ARG 109 HA ARG 109 -9.957 10.343 11.335 883 HB2 ARG 109 2HB ARG 109 -10.603 9.525 13.617 884 HB3 ARG 109 3HB ARG 109 -11.281 11.118 13.981 885 HG2 ARG 109 2HG ARG 109 -12.930 10.856 12.166 886 HG3 ARG 109 3HG ARG 109 -12.239 9.284 11.723 887 HD2 ARG 109 2HD ARG 109 -13.429 10.001 14.429 888 HD3 ARG 109 3HD ARG 109 -14.329 9.207 13.134 889 HE ARG 109 HE ARG 109 -12.280 7.502 13.354 890 HH11 ARG 109 1HH1 ARG 109 -14.128 8.999 16.041 891 HH12 ARG 109 2HH1 ARG 109 -14.328 7.495 16.876 892 HH21 ARG 109 1HH2 ARG 109 -12.261 5.670 14.603 893 HH22 ARG 109 2HH2 ARG 109 -12.954 5.648 16.206 894 H SER 110 H SER 110 -11.763 11.499 10.150 895 HA SER 110 HA SER 110 -11.168 14.325 9.968 896 HB2 SER 110 2HB SER 110 -13.002 14.246 8.269 897 HB3 SER 110 3HB SER 110 -11.686 13.102 7.976 898 HG SER 110 HG SER 110 -13.904 12.357 7.732 899 H GLY 111 H GLY 111 -12.873 15.982 10.123 900 HA2 GLY 111 2HA GLY 111 -15.146 16.486 10.930 901 HA3 GLY 111 3HA GLY 111 -14.803 15.513 12.362 902 HA PRO 112 HA PRO 112 -13.509 19.986 13.076 903 HB2 PRO 112 2HB PRO 112 -15.622 21.027 14.409 904 HB3 PRO 112 3HB PRO 112 -15.643 20.835 12.645 905 HG2 PRO 112 2HG PRO 112 -16.825 18.971 14.724 906 HG3 PRO 112 3HG PRO 112 -17.604 19.629 13.250 907 HD2 PRO 112 2HD PRO 112 -16.411 17.146 13.352 908 HD3 PRO 112 3HD PRO 112 -16.475 18.129 11.866 909 H SER 113 H SER 113 -12.249 18.053 14.258 910 HA SER 113 HA SER 113 -12.645 17.165 16.777 911 HB2 SER 113 2HB SER 113 -10.035 18.095 15.535 912 HB3 SER 113 3HB SER 113 -10.189 16.955 16.886 913 HG SER 113 HG SER 113 -11.144 15.483 15.585 914 H SER 114 H SER 114 -13.307 18.210 18.475 915 HA SER 114 HA SER 114 -11.944 20.653 19.418 916 HB2 SER 114 2HB SER 114 -14.377 21.430 20.032 917 HB3 SER 114 3HB SER 114 -13.736 21.691 18.406 918 HG SER 114 HG SER 114 -14.868 19.960 17.633 919 H GLY 115 H GLY 115 -12.286 17.548 20.109 920 HA2 GLY 115 2HA GLY 115 -11.639 16.780 22.267 921 HA3 GLY 115 3HA GLY 115 -12.598 18.051 23.030 922 H GLU 116 H GLU 116 -13.765 16.639 24.273 923 HA GLU 116 HA GLU 116 -15.952 15.214 22.941 924 HB2 GLU 116 2HB GLU 116 -13.858 13.711 23.153 925 HB3 GLU 116 3HB GLU 116 -14.119 13.739 24.893 926 HG2 GLU 116 2HG GLU 116 -16.208 12.545 24.645 927 HG3 GLU 116 3HG GLU 116 -16.269 12.888 22.913 928 H ASN 117 H ASN 117 -15.629 17.635 24.561 929 HA ASN 117 HA ASN 117 -16.376 17.136 27.314 930 HB2 ASN 117 2HB ASN 117 -16.674 19.657 25.650 931 HB3 ASN 117 3HB ASN 117 -16.800 19.549 27.405 932 HD21 ASN 117 1HD2 ASN 117 -14.895 21.176 25.739 933 HD22 ASN 117 2HD2 ASN 117 -13.299 20.614 26.174 934 H LEU 118 H LEU 118 -18.438 17.379 28.258 935 HA LEU 118 HA LEU 118 -20.733 16.978 26.401 936 HB2 LEU 118 2HB LEU 118 -20.470 16.716 29.431 937 HB3 LEU 118 3HB LEU 118 -21.959 16.445 28.522 938 HG LEU 118 HG LEU 118 -19.387 14.832 28.198 939 HD11 LEU 118 1HD1 LEU 118 -20.491 14.442 30.364 940 HD12 LEU 118 2HD1 LEU 118 -20.619 13.023 29.313 941 HD13 LEU 118 3HD1 LEU 118 -22.025 14.093 29.533 942 HD21 LEU 118 3HD2 LEU 118 -20.822 13.255 26.892 943 HD22 LEU 118 1HD2 LEU 118 -20.651 14.814 26.093 944 HD23 LEU 118 2HD2 LEU 118 -22.151 14.429 26.962 945 H TYR 119 H TYR 119 -22.463 18.489 26.310 946 HA TYR 119 HA TYR 119 -22.336 20.928 27.918 947 HB2 TYR 119 2HB TYR 119 -20.988 21.192 25.815 948 HB3 TYR 119 3HB TYR 119 -22.399 20.714 24.873 949 HD1 TYR 119 1HD TYR 119 -20.965 23.296 27.104 950 HD2 TYR 119 2HD TYR 119 -24.266 22.191 24.604 951 HE1 TYR 119 1HE TYR 119 -21.851 25.618 27.268 952 HE2 TYR 119 2HE TYR 119 -25.156 24.502 24.694 953 HH TYR 119 HH TYR 119 -24.879 26.603 25.616 954 H PHE 120 H PHE 120 -24.512 22.049 27.622 955 HA PHE 120 HA PHE 120 -26.680 20.039 27.430 956 HB2 PHE 120 2HB PHE 120 -26.472 21.494 29.436 957 HB3 PHE 120 3HB PHE 120 -26.701 22.911 28.427 958 HD1 PHE 120 2HD PHE 120 -28.318 19.880 29.843 959 HD2 PHE 120 1HD PHE 120 -28.929 23.481 27.543 960 HE1 PHE 120 2HE PHE 120 -30.772 19.634 30.101 961 HE2 PHE 120 1HE PHE 120 -31.381 23.229 27.810 962 HZ PHE 120 HZ PHE 120 -32.309 21.308 29.089 963 H GLN 121 H GLN 121 -26.989 19.714 25.208 964 HA GLN 121 HA GLN 121 -28.255 21.781 23.681 965 HB2 GLN 121 2HB GLN 121 -26.758 21.406 21.712 966 HB3 GLN 121 3HB GLN 121 -26.006 22.297 23.015 967 HG2 GLN 121 2HG GLN 121 -24.257 20.945 22.633 968 HG3 GLN 121 3HG GLN 121 -25.088 19.795 23.647 969 HE21 GLN 121 1HE2 GLN 121 -26.705 18.325 22.306 970 HE22 GLN 121 2HE2 GLN 121 -26.086 17.694 20.793 Start of MODEL 12 1 H1 MET 1 H MET 1 -0.596 8.560 -4.568 2 HA MET 1 HA MET 1 1.249 9.338 -6.061 3 HB2 MET 1 2HB MET 1 0.868 11.889 -4.496 4 HB3 MET 1 3HB MET 1 2.200 11.556 -5.563 5 HG2 MET 1 2HG MET 1 -0.535 11.339 -6.777 6 HG3 MET 1 3HG MET 1 0.006 12.940 -6.291 7 HE1 MET 1 3HE MET 1 2.557 10.125 -7.659 8 HE2 MET 1 1HE MET 1 0.968 9.764 -8.388 9 HE3 MET 1 2HE MET 1 2.296 10.374 -9.396 10 H ILE 2 H ILE 2 0.489 9.124 -2.606 11 HA ILE 2 HA ILE 2 1.869 8.945 -0.781 12 HB ILE 2 HB ILE 2 3.104 6.763 -2.476 13 HG12 ILE 2 2HG1 ILE 2 0.290 6.847 -1.340 14 HG13 ILE 2 3HG1 ILE 2 0.786 6.717 -3.029 15 HG21 ILE 2 1HG2 ILE 2 3.271 5.537 -0.445 16 HG22 ILE 2 2HG2 ILE 2 3.726 7.176 -0.001 17 HG23 ILE 2 3HG2 ILE 2 2.093 6.588 0.374 18 HD11 ILE 2 3HD1 ILE 2 1.859 4.472 -2.418 19 HD12 ILE 2 1HD1 ILE 2 1.124 4.636 -0.810 20 HD13 ILE 2 2HD1 ILE 2 0.098 4.506 -2.246 21 H VAL 3 H VAL 3 2.889 11.032 -1.730 22 HA VAL 3 HA VAL 3 5.629 10.810 -2.609 23 HB VAL 3 HB VAL 3 4.395 12.651 -3.387 24 HG11 VAL 3 1HG1 VAL 3 2.901 13.110 -1.520 25 HG12 VAL 3 2HG1 VAL 3 4.250 13.736 -0.550 26 HG13 VAL 3 3HG1 VAL 3 3.744 14.571 -2.038 27 HG21 VAL 3 3HG2 VAL 3 6.817 12.870 -3.251 28 HG22 VAL 3 1HG2 VAL 3 6.048 14.436 -3.001 29 HG23 VAL 3 2HG2 VAL 3 6.713 13.536 -1.618 30 H ILE 4 H ILE 4 7.017 9.869 -1.483 31 HA ILE 4 HA ILE 4 7.222 10.079 1.424 32 HB ILE 4 HB ILE 4 9.126 8.718 -0.503 33 HG12 ILE 4 2HG1 ILE 4 7.006 7.716 -0.977 34 HG13 ILE 4 3HG1 ILE 4 8.040 6.605 -0.137 35 HG21 ILE 4 1HG2 ILE 4 8.874 8.742 2.472 36 HG22 ILE 4 2HG2 ILE 4 9.486 7.304 1.609 37 HG23 ILE 4 3HG2 ILE 4 10.261 8.875 1.415 38 HD11 ILE 4 3HD1 ILE 4 5.693 6.437 0.572 39 HD12 ILE 4 1HD1 ILE 4 6.739 6.816 1.915 40 HD13 ILE 4 2HD1 ILE 4 5.725 8.100 1.187 41 H SER 5 H SER 5 9.147 11.056 -1.497 42 HA SER 5 HA SER 5 10.376 13.267 -0.029 43 HB2 SER 5 2HB SER 5 11.786 11.191 0.370 44 HB3 SER 5 3HB SER 5 12.058 11.102 -1.377 45 HG SER 5 HG SER 5 13.749 12.127 -0.367 46 H ARG 6 H ARG 6 11.877 14.396 -1.709 47 HA ARG 6 HA ARG 6 10.464 15.552 -3.727 48 HB2 ARG 6 2HB ARG 6 12.551 16.433 -2.886 49 HB3 ARG 6 3HB ARG 6 13.443 15.043 -3.474 50 HG2 ARG 6 2HG ARG 6 13.894 16.964 -4.861 51 HG3 ARG 6 3HG ARG 6 13.102 15.711 -5.790 52 HD2 ARG 6 2HD ARG 6 12.270 17.965 -6.362 53 HD3 ARG 6 3HD ARG 6 11.006 16.882 -5.789 54 HE ARG 6 HE ARG 6 10.565 18.285 -4.086 55 HH11 ARG 6 1HH1 ARG 6 13.803 19.186 -5.310 56 HH12 ARG 6 2HH1 ARG 6 14.084 20.362 -4.088 57 HH21 ARG 6 1HH2 ARG 6 10.896 20.114 -2.587 58 HH22 ARG 6 2HH2 ARG 6 12.466 20.861 -2.574 59 H HIS 7 H HIS 7 12.652 12.704 -4.306 60 HA HIS 7 HA HIS 7 11.361 12.451 -6.986 61 HB2 HIS 7 2HB HIS 7 14.018 11.307 -6.114 62 HB3 HIS 7 3HB HIS 7 13.345 11.378 -7.731 63 HD1 HIS 7 1HD HIS 7 13.105 14.088 -8.720 64 HD2 HIS 7 2HD HIS 7 15.719 13.175 -5.549 65 HE1 HIS 7 1HE HIS 7 14.760 15.994 -8.597 66 H VAL 8 H VAL 8 10.165 11.434 -4.386 67 HA VAL 8 HA VAL 8 9.954 8.600 -5.220 68 HB VAL 8 HB VAL 8 10.353 9.501 -2.343 69 HG11 VAL 8 1HG1 VAL 8 10.081 6.782 -3.645 70 HG12 VAL 8 2HG1 VAL 8 10.400 7.050 -1.907 71 HG13 VAL 8 3HG1 VAL 8 8.858 7.556 -2.623 72 HG21 VAL 8 3HG2 VAL 8 12.467 8.153 -2.432 73 HG22 VAL 8 1HG2 VAL 8 12.265 8.055 -4.202 74 HG23 VAL 8 2HG2 VAL 8 12.526 9.621 -3.410 75 H ALA 9 H ALA 9 7.915 8.673 -5.940 76 HA ALA 9 HA ALA 9 5.721 9.238 -4.059 77 HB1 ALA 9 1HB ALA 9 4.641 10.841 -5.615 78 HB2 ALA 9 2HB ALA 9 6.207 11.443 -5.050 79 HB3 ALA 9 3HB ALA 9 6.051 10.759 -6.679 80 H ILE 10 H ILE 10 4.839 7.278 -4.193 81 HA ILE 10 HA ILE 10 4.827 5.628 -6.583 82 HB ILE 10 HB ILE 10 3.240 5.177 -4.025 83 HG12 ILE 10 2HG1 ILE 10 6.145 4.390 -4.543 84 HG13 ILE 10 3HG1 ILE 10 5.599 5.602 -3.389 85 HG21 ILE 10 1HG2 ILE 10 4.355 3.203 -6.055 86 HG22 ILE 10 2HG2 ILE 10 3.377 2.801 -4.628 87 HG23 ILE 10 3HG2 ILE 10 2.653 3.711 -5.929 88 HD11 ILE 10 3HD1 ILE 10 5.053 2.634 -3.170 89 HD12 ILE 10 1HD1 ILE 10 6.100 3.635 -2.153 90 HD13 ILE 10 2HD1 ILE 10 4.346 3.880 -2.115 91 HA PRO 11 HA PRO 11 1.041 7.552 -7.976 92 HB2 PRO 11 2HB PRO 11 0.283 5.991 -10.095 93 HB3 PRO 11 3HB PRO 11 1.755 7.013 -10.099 94 HG2 PRO 11 2HG PRO 11 1.552 4.070 -9.418 95 HG3 PRO 11 3HG PRO 11 2.655 4.846 -10.603 96 HD2 PRO 11 2HD PRO 11 3.474 4.287 -8.079 97 HD3 PRO 11 3HD PRO 11 3.977 5.785 -8.890 98 H ASP 12 H ASP 12 0.944 5.000 -5.990 99 HA ASP 12 HA ASP 12 -0.622 4.070 -4.688 100 HB2 ASP 12 2HB ASP 12 -1.651 6.466 -5.139 101 HB3 ASP 12 3HB ASP 12 -2.889 5.553 -5.987 102 H GLY 13 H GLY 13 -1.160 3.944 -8.102 103 HA2 GLY 13 2HA GLY 13 -3.046 1.725 -8.121 104 HA3 GLY 13 3HA GLY 13 -2.273 2.506 -9.504 105 H GLU 14 H GLU 14 0.248 2.089 -7.545 106 HA GLU 14 HA GLU 14 1.060 -0.381 -8.858 107 HB2 GLU 14 2HB GLU 14 2.494 1.833 -7.359 108 HB3 GLU 14 3HB GLU 14 3.281 0.309 -7.714 109 HG2 GLU 14 2HG GLU 14 2.018 1.946 -9.919 110 HG3 GLU 14 3HG GLU 14 3.698 2.153 -9.408 111 H LEU 15 H LEU 15 -0.530 0.301 -5.999 112 HA LEU 15 HA LEU 15 0.904 -1.784 -4.421 113 HB2 LEU 15 2HB LEU 15 -1.337 -0.011 -3.414 114 HB3 LEU 15 3HB LEU 15 -0.209 -1.031 -2.501 115 HG LEU 15 HG LEU 15 0.403 1.611 -3.917 116 HD11 LEU 15 1HD1 LEU 15 1.130 2.242 -1.619 117 HD12 LEU 15 2HD1 LEU 15 0.623 0.658 -1.027 118 HD13 LEU 15 3HD1 LEU 15 -0.589 1.803 -1.674 119 HD21 LEU 15 3HD2 LEU 15 2.259 -0.390 -2.614 120 HD22 LEU 15 1HD2 LEU 15 2.735 1.282 -2.971 121 HD23 LEU 15 2HD2 LEU 15 2.351 0.178 -4.295 122 H GLU 16 H GLU 16 -0.081 -3.620 -3.787 123 HA GLU 16 HA GLU 16 -2.475 -4.485 -5.234 124 HB2 GLU 16 2HB GLU 16 -0.415 -5.923 -5.233 125 HB3 GLU 16 3HB GLU 16 -0.472 -5.979 -3.477 126 HG2 GLU 16 2HG GLU 16 -1.356 -8.024 -4.190 127 HG3 GLU 16 3HG GLU 16 -2.748 -7.097 -3.651 128 H ILE 17 H ILE 17 -4.308 -3.818 -4.175 129 HA ILE 17 HA ILE 17 -4.313 -3.881 -1.192 130 HB ILE 17 HB ILE 17 -5.983 -2.325 -3.185 131 HG12 ILE 17 2HG1 ILE 17 -4.104 -1.176 -1.067 132 HG13 ILE 17 3HG1 ILE 17 -3.440 -1.687 -2.603 133 HG21 ILE 17 1HG2 ILE 17 -5.989 -2.307 -0.146 134 HG22 ILE 17 2HG2 ILE 17 -6.889 -1.165 -1.160 135 HG23 ILE 17 3HG2 ILE 17 -7.321 -2.880 -1.179 136 HD11 ILE 17 3HD1 ILE 17 -4.972 -0.214 -3.822 137 HD12 ILE 17 1HD1 ILE 17 -5.556 0.443 -2.267 138 HD13 ILE 17 2HD1 ILE 17 -3.850 0.632 -2.743 139 H THR 18 H THR 18 -5.876 -5.114 -0.102 140 HA THR 18 HA THR 18 -7.694 -6.755 -1.761 141 HB THR 18 HB THR 18 -6.827 -8.495 0.223 142 HG1 THR 18 1HG THR 18 -4.804 -6.809 -0.160 143 HG21 THR 18 3HG2 THR 18 -5.758 -8.319 -2.617 144 HG22 THR 18 1HG2 THR 18 -7.365 -8.924 -2.151 145 HG23 THR 18 2HG2 THR 18 -5.910 -9.787 -1.608 146 H ALA 19 H ALA 19 -9.403 -7.790 -0.578 147 HA ALA 19 HA ALA 19 -10.147 -6.162 1.744 148 HB1 ALA 19 1HB ALA 19 -12.450 -7.111 1.241 149 HB2 ALA 19 2HB ALA 19 -11.765 -6.154 -0.090 150 HB3 ALA 19 3HB ALA 19 -11.742 -7.928 -0.149 151 H ILE 20 H ILE 20 -10.624 -6.983 3.715 152 HA ILE 20 HA ILE 20 -10.366 -9.899 4.128 153 HB ILE 20 HB ILE 20 -9.079 -9.218 6.267 154 HG12 ILE 20 2HG1 ILE 20 -8.127 -6.913 4.514 155 HG13 ILE 20 3HG1 ILE 20 -9.297 -6.732 5.808 156 HG21 ILE 20 1HG2 ILE 20 -8.251 -10.596 4.389 157 HG22 ILE 20 2HG2 ILE 20 -7.696 -9.117 3.568 158 HG23 ILE 20 3HG2 ILE 20 -6.970 -9.617 5.116 159 HD11 ILE 20 3HD1 ILE 20 -7.114 -6.109 6.629 160 HD12 ILE 20 1HD1 ILE 20 -7.632 -7.596 7.447 161 HD13 ILE 20 2HD1 ILE 20 -6.428 -7.665 6.136 162 H ARG 21 H ARG 21 -11.745 -10.713 5.603 163 HA ARG 21 HA ARG 21 -13.244 -8.884 7.281 164 HB2 ARG 21 2HB ARG 21 -14.585 -10.836 5.363 165 HB3 ARG 21 3HB ARG 21 -15.416 -9.839 6.563 166 HG2 ARG 21 2HG ARG 21 -14.718 -7.796 5.374 167 HG3 ARG 21 3HG ARG 21 -13.868 -8.758 4.159 168 HD2 ARG 21 2HD ARG 21 -16.827 -9.042 4.700 169 HD3 ARG 21 3HD ARG 21 -16.134 -7.921 3.508 170 HE ARG 21 HE ARG 21 -14.960 -10.265 2.818 171 HH11 ARG 21 1HH1 ARG 21 -18.381 -9.270 2.966 172 HH12 ARG 21 2HH1 ARG 21 -18.923 -10.682 2.118 173 HH21 ARG 21 1HH2 ARG 21 -15.654 -11.924 1.559 174 HH22 ARG 21 2HH2 ARG 21 -17.361 -12.233 1.320 175 H ALA 22 H ALA 22 -14.632 -10.202 8.925 176 HA ALA 22 HA ALA 22 -12.979 -12.475 9.826 177 HB1 ALA 22 1HB ALA 22 -13.793 -10.496 11.307 178 HB2 ALA 22 2HB ALA 22 -15.396 -11.229 11.193 179 HB3 ALA 22 3HB ALA 22 -14.065 -12.147 11.921 180 H GLN 23 H GLN 23 -14.109 -14.461 10.553 181 HA GLN 23 HA GLN 23 -16.816 -14.968 9.679 182 HB2 GLN 23 2HB GLN 23 -16.251 -16.911 8.331 183 HB3 GLN 23 3HB GLN 23 -15.777 -15.395 7.584 184 HG2 GLN 23 2HG GLN 23 -13.458 -15.815 7.895 185 HG3 GLN 23 3HG GLN 23 -13.765 -17.094 9.085 186 HE21 GLN 23 1HE2 GLN 23 -13.125 -19.021 8.153 187 HE22 GLN 23 2HE2 GLN 23 -13.639 -19.583 6.568 188 H GLY 24 H GLY 24 -17.330 -17.363 10.237 189 HA2 GLY 24 2HA GLY 24 -16.860 -19.287 11.614 190 HA3 GLY 24 3HA GLY 24 -15.917 -18.259 12.710 191 H ALA 25 H ALA 25 -17.659 -19.505 14.137 192 HA ALA 25 HA ALA 25 -20.243 -18.008 14.275 193 HB1 ALA 25 1HB ALA 25 -20.926 -19.862 15.748 194 HB2 ALA 25 2HB ALA 25 -20.406 -20.432 14.158 195 HB3 ALA 25 3HB ALA 25 -19.329 -20.616 15.563 196 H GLY 26 H GLY 26 -20.496 -16.491 15.869 197 HA2 GLY 26 2HA GLY 26 -18.910 -16.626 18.348 198 HA3 GLY 26 3HA GLY 26 -18.750 -15.174 17.338 199 H GLY 27 H GLY 27 -19.882 -15.318 20.051 200 HA2 GLY 27 2HA GLY 27 -22.734 -14.502 19.517 201 HA3 GLY 27 3HA GLY 27 -22.114 -15.128 21.062 202 H GLN 28 H GLN 28 -20.741 -13.842 22.298 203 HA GLN 28 HA GLN 28 -21.046 -10.988 22.148 204 HB2 GLN 28 2HB GLN 28 -20.611 -12.243 24.264 205 HB3 GLN 28 3HB GLN 28 -19.038 -12.746 23.655 206 HG2 GLN 28 2HG GLN 28 -18.791 -10.944 25.258 207 HG3 GLN 28 3HG GLN 28 -18.253 -10.400 23.671 208 HE21 GLN 28 1HE2 GLN 28 -19.221 -8.434 22.868 209 HE22 GLN 28 2HE2 GLN 28 -20.756 -7.852 23.495 210 H HIS 29 H HIS 29 -19.770 -9.534 21.048 211 HA HIS 29 HA HIS 29 -18.414 -9.924 18.817 212 HB2 HIS 29 2HB HIS 29 -17.497 -7.806 20.776 213 HB3 HIS 29 3HB HIS 29 -17.435 -7.757 19.015 214 HD1 HIS 29 1HD HIS 29 -19.162 -5.918 21.348 215 HD2 HIS 29 2HD HIS 29 -20.451 -8.525 18.277 216 HE1 HIS 29 1HE HIS 29 -21.621 -5.403 20.919 217 H VAL 30 H VAL 30 -17.069 -11.616 18.552 218 HA VAL 30 HA VAL 30 -14.596 -11.888 20.133 219 HB VAL 30 HB VAL 30 -15.758 -13.896 19.905 220 HG11 VAL 30 1HG1 VAL 30 -16.488 -14.907 17.756 221 HG12 VAL 30 2HG1 VAL 30 -17.385 -13.448 18.166 222 HG13 VAL 30 3HG1 VAL 30 -16.104 -13.388 16.924 223 HG21 VAL 30 3HG2 VAL 30 -13.310 -14.060 19.324 224 HG22 VAL 30 1HG2 VAL 30 -14.322 -15.385 18.707 225 HG23 VAL 30 2HG2 VAL 30 -13.777 -14.101 17.608 226 H ASN 31 H ASN 31 -15.689 -10.578 17.067 227 HA ASN 31 HA ASN 31 -12.857 -10.162 16.289 228 HB2 ASN 31 2HB ASN 31 -13.582 -10.459 13.907 229 HB3 ASN 31 3HB ASN 31 -13.700 -11.922 14.868 230 HD21 ASN 31 1HD2 ASN 31 -15.831 -9.140 13.675 231 HD22 ASN 31 2HD2 ASN 31 -17.216 -10.180 13.586 232 H LYS 32 H LYS 32 -12.444 -8.476 14.916 233 HA LYS 32 HA LYS 32 -14.402 -6.274 14.669 234 HB2 LYS 32 2HB LYS 32 -12.932 -6.145 16.849 235 HB3 LYS 32 3HB LYS 32 -11.661 -5.614 15.739 236 HG2 LYS 32 2HG LYS 32 -13.349 -3.854 14.912 237 HG3 LYS 32 3HG LYS 32 -14.394 -4.335 16.244 238 HD2 LYS 32 2HD LYS 32 -11.538 -3.292 16.511 239 HD3 LYS 32 3HD LYS 32 -12.975 -2.293 16.672 240 HE2 LYS 32 2HE LYS 32 -12.293 -4.656 18.489 241 HE3 LYS 32 3HE LYS 32 -11.908 -2.969 18.820 242 HZ1 LYS 32 3HZ LYS 32 -13.821 -3.317 19.945 243 HZ2 LYS 32 1HZ LYS 32 -14.569 -4.179 18.763 244 HZ3 LYS 32 2HZ LYS 32 -14.356 -2.533 18.622 245 H THR 33 H THR 33 -11.940 -8.217 13.347 246 HA THR 33 HA THR 33 -10.751 -6.399 11.527 247 HB THR 33 HB THR 33 -9.868 -8.524 12.551 248 HG1 THR 33 1HG THR 33 -8.557 -8.966 10.974 249 HG21 THR 33 3HG2 THR 33 -11.817 -9.988 12.072 250 HG22 THR 33 1HG2 THR 33 -10.291 -10.662 11.532 251 HG23 THR 33 2HG2 THR 33 -11.399 -9.945 10.340 252 H SER 34 H SER 34 -14.027 -7.163 11.436 253 HA SER 34 HA SER 34 -14.179 -7.988 8.694 254 HB2 SER 34 2HB SER 34 -16.249 -6.943 10.581 255 HB3 SER 34 3HB SER 34 -16.589 -7.329 8.886 256 HG SER 34 HG SER 34 -16.983 -9.154 10.032 257 H THR 35 H THR 35 -15.036 -6.872 6.966 258 HA THR 35 HA THR 35 -14.921 -5.306 5.389 259 HB THR 35 HB THR 35 -15.692 -3.181 7.377 260 HG1 THR 35 1HG THR 35 -17.299 -5.432 6.641 261 HG21 THR 35 3HG2 THR 35 -17.238 -2.624 5.539 262 HG22 THR 35 1HG2 THR 35 -16.812 -4.131 4.692 263 HG23 THR 35 2HG2 THR 35 -15.602 -2.858 4.918 264 H ALA 36 H ALA 36 -12.388 -5.807 6.762 265 HA ALA 36 HA ALA 36 -11.078 -3.180 6.875 266 HB1 ALA 36 1HB ALA 36 -10.828 -4.802 8.667 267 HB2 ALA 36 2HB ALA 36 -10.184 -5.997 7.561 268 HB3 ALA 36 3HB ALA 36 -9.260 -4.498 7.849 269 H ILE 37 H ILE 37 -8.718 -3.194 5.993 270 HA ILE 37 HA ILE 37 -8.688 -4.471 3.311 271 HB ILE 37 HB ILE 37 -8.112 -1.593 4.063 272 HG12 ILE 37 2HG1 ILE 37 -10.473 -2.189 3.416 273 HG13 ILE 37 3HG1 ILE 37 -9.718 -1.022 2.350 274 HG21 ILE 37 1HG2 ILE 37 -6.236 -2.151 2.702 275 HG22 ILE 37 2HG2 ILE 37 -7.233 -3.144 1.608 276 HG23 ILE 37 3HG2 ILE 37 -7.388 -1.398 1.604 277 HD11 ILE 37 3HD1 ILE 37 -10.992 -2.655 1.058 278 HD12 ILE 37 1HD1 ILE 37 -9.284 -2.810 0.669 279 HD13 ILE 37 2HD1 ILE 37 -10.064 -3.986 1.749 280 H HIS 38 H HIS 38 -6.865 -5.172 2.601 281 HA HIS 38 HA HIS 38 -4.543 -5.362 4.421 282 HB2 HIS 38 2HB HIS 38 -5.785 -7.503 3.980 283 HB3 HIS 38 3HB HIS 38 -5.519 -7.293 2.268 284 HD1 HIS 38 1HD HIS 38 -2.899 -7.772 1.435 285 HD2 HIS 38 2HD HIS 38 -3.727 -8.012 5.532 286 HE1 HIS 38 1HE HIS 38 -0.830 -8.812 2.553 287 H LEU 39 H LEU 39 -3.243 -3.811 3.663 288 HA LEU 39 HA LEU 39 -3.059 -3.237 0.716 289 HB2 LEU 39 2HB LEU 39 -3.407 -1.309 2.113 290 HB3 LEU 39 3HB LEU 39 -2.060 -1.741 3.167 291 HG LEU 39 HG LEU 39 -1.379 -1.398 0.262 292 HD11 LEU 39 1HD1 LEU 39 -2.074 0.982 2.031 293 HD12 LEU 39 2HD1 LEU 39 -2.965 0.466 0.584 294 HD13 LEU 39 3HD1 LEU 39 -1.317 1.063 0.439 295 HD21 LEU 39 3HD2 LEU 39 -0.056 -0.208 2.740 296 HD22 LEU 39 1HD2 LEU 39 0.624 -0.403 1.122 297 HD23 LEU 39 2HD2 LEU 39 0.345 -1.828 2.117 298 H ARG 40 H ARG 40 -1.315 -4.064 -0.422 299 HA ARG 40 HA ARG 40 1.016 -5.045 1.141 300 HB2 ARG 40 2HB ARG 40 -0.426 -6.947 0.469 301 HB3 ARG 40 3HB ARG 40 -0.448 -6.367 -1.191 302 HG2 ARG 40 2HG ARG 40 1.992 -6.737 -1.392 303 HG3 ARG 40 3HG ARG 40 2.049 -7.275 0.286 304 HD2 ARG 40 2HD ARG 40 0.708 -9.147 -0.122 305 HD3 ARG 40 3HD ARG 40 0.198 -8.588 -1.728 306 HE ARG 40 HE ARG 40 2.423 -10.213 -1.092 307 HH11 ARG 40 1HH1 ARG 40 2.071 -7.357 -3.297 308 HH12 ARG 40 2HH1 ARG 40 2.700 -8.188 -4.628 309 HH21 ARG 40 1HH2 ARG 40 3.259 -11.260 -2.923 310 HH22 ARG 40 2HH2 ARG 40 3.517 -10.371 -4.387 311 H PHE 41 H PHE 41 2.816 -4.126 0.458 312 HA PHE 41 HA PHE 41 2.938 -2.979 -2.286 313 HB2 PHE 41 2HB PHE 41 2.851 -1.244 -0.531 314 HB3 PHE 41 3HB PHE 41 4.112 -2.062 0.376 315 HD1 PHE 41 2HD PHE 41 4.062 -1.455 -3.359 316 HD2 PHE 41 1HD PHE 41 5.781 -0.399 0.459 317 HE1 PHE 41 2HE PHE 41 5.741 -0.120 -4.492 318 HE2 PHE 41 1HE PHE 41 7.515 0.909 -0.693 319 HZ PHE 41 HZ PHE 41 7.501 1.050 -3.222 320 H ASP 42 H ASP 42 4.819 -3.681 -3.463 321 HA ASP 42 HA ASP 42 6.683 -5.578 -2.107 322 HB2 ASP 42 2HB ASP 42 5.155 -6.682 -3.643 323 HB3 ASP 42 3HB ASP 42 5.533 -5.558 -4.923 324 H ILE 43 H ILE 43 8.427 -4.282 -1.696 325 HA ILE 43 HA ILE 43 9.112 -1.958 -3.180 326 HB ILE 43 HB ILE 43 10.466 -3.742 -1.186 327 HG12 ILE 43 2HG1 ILE 43 10.030 -0.776 -0.837 328 HG13 ILE 43 3HG1 ILE 43 8.579 -1.743 -0.959 329 HG21 ILE 43 1HG2 ILE 43 12.301 -2.061 -0.935 330 HG22 ILE 43 2HG2 ILE 43 12.388 -3.009 -2.420 331 HG23 ILE 43 3HG2 ILE 43 11.755 -1.344 -2.473 332 HD11 ILE 43 3HD1 ILE 43 9.219 -1.571 1.362 333 HD12 ILE 43 1HD1 ILE 43 9.420 -3.253 0.821 334 HD13 ILE 43 2HD1 ILE 43 10.831 -2.214 0.989 335 H ARG 44 H ARG 44 10.419 -5.297 -3.364 336 HA ARG 44 HA ARG 44 12.364 -4.527 -5.384 337 HB2 ARG 44 2HB ARG 44 11.134 -7.244 -4.836 338 HB3 ARG 44 3HB ARG 44 12.422 -6.953 -6.013 339 HG2 ARG 44 2HG ARG 44 13.942 -6.132 -4.336 340 HG3 ARG 44 3HG ARG 44 12.691 -6.115 -3.096 341 HD2 ARG 44 2HD ARG 44 14.060 -8.045 -2.722 342 HD3 ARG 44 3HD ARG 44 12.437 -8.523 -3.262 343 HE ARG 44 HE ARG 44 13.226 -9.281 -5.253 344 HH11 ARG 44 1HH1 ARG 44 16.021 -8.067 -3.412 345 HH12 ARG 44 2HH1 ARG 44 17.179 -8.979 -4.309 346 HH21 ARG 44 1HH2 ARG 44 14.748 -10.442 -6.464 347 HH22 ARG 44 2HH2 ARG 44 16.443 -10.204 -6.242 348 H ALA 45 H ALA 45 8.902 -5.351 -5.640 349 HA ALA 45 HA ALA 45 9.080 -5.269 -8.587 350 HB1 ALA 45 1HB ALA 45 7.637 -6.856 -7.332 351 HB2 ALA 45 2HB ALA 45 6.671 -5.457 -6.782 352 HB3 ALA 45 3HB ALA 45 6.758 -5.852 -8.511 353 H SER 46 H SER 46 9.347 -2.820 -6.412 354 HA SER 46 HA SER 46 7.412 -1.056 -7.717 355 HB2 SER 46 2HB SER 46 7.717 0.419 -5.867 356 HB3 SER 46 3HB SER 46 7.600 -1.209 -5.197 357 HG SER 46 HG SER 46 9.925 -1.171 -5.105 358 H SER 47 H SER 47 8.243 1.299 -7.928 359 HA SER 47 HA SER 47 10.691 1.393 -9.550 360 HB2 SER 47 2HB SER 47 9.708 3.690 -10.052 361 HB3 SER 47 3HB SER 47 8.727 2.307 -10.561 362 HG SER 47 HG SER 47 7.279 2.702 -9.103 363 H LEU 48 H LEU 48 10.346 1.439 -6.331 364 HA LEU 48 HA LEU 48 11.209 4.013 -5.528 365 HB2 LEU 48 2HB LEU 48 11.482 1.299 -4.208 366 HB3 LEU 48 3HB LEU 48 12.081 2.767 -3.447 367 HG LEU 48 HG LEU 48 9.191 2.266 -4.254 368 HD11 LEU 48 1HD1 LEU 48 9.841 0.931 -2.330 369 HD12 LEU 48 2HD1 LEU 48 8.817 2.270 -1.777 370 HD13 LEU 48 3HD1 LEU 48 10.576 2.333 -1.532 371 HD21 LEU 48 3HD2 LEU 48 8.705 4.318 -2.871 372 HD22 LEU 48 1HD2 LEU 48 9.617 4.670 -4.322 373 HD23 LEU 48 2HD2 LEU 48 10.461 4.613 -2.748 374 HA PRO 49 HA PRO 49 15.404 4.223 -6.644 375 HB2 PRO 49 2HB PRO 49 16.483 5.672 -4.558 376 HB3 PRO 49 3HB PRO 49 15.444 6.381 -5.809 377 HG2 PRO 49 2HG PRO 49 14.671 5.401 -3.094 378 HG3 PRO 49 3HG PRO 49 14.271 6.983 -3.844 379 HD2 PRO 49 2HD PRO 49 12.526 4.935 -3.843 380 HD3 PRO 49 3HD PRO 49 12.702 5.920 -5.318 381 H GLU 50 H GLU 50 17.437 3.345 -6.265 382 HA GLU 50 HA GLU 50 17.659 0.958 -4.936 383 HB2 GLU 50 2HB GLU 50 20.045 1.071 -5.378 384 HB3 GLU 50 3HB GLU 50 19.096 1.623 -6.753 385 HG2 GLU 50 2HG GLU 50 19.595 3.998 -6.125 386 HG3 GLU 50 3HG GLU 50 20.579 3.419 -4.781 387 H TYR 51 H TYR 51 18.481 4.186 -3.553 388 HA TYR 51 HA TYR 51 19.770 3.205 -1.201 389 HB2 TYR 51 2HB TYR 51 19.759 5.577 -1.965 390 HB3 TYR 51 3HB TYR 51 18.051 5.698 -1.572 391 HD1 TYR 51 2HD TYR 51 17.350 5.444 0.933 392 HD2 TYR 51 1HD TYR 51 21.416 6.007 -0.400 393 HE1 TYR 51 2HE TYR 51 17.981 6.146 3.214 394 HE2 TYR 51 1HE TYR 51 22.066 6.727 1.863 395 HH TYR 51 HH TYR 51 21.344 7.233 3.940 396 H TYR 52 H TYR 52 16.317 4.003 -1.896 397 HA TYR 52 HA TYR 52 15.464 3.226 0.749 398 HB2 TYR 52 2HB TYR 52 13.936 3.656 -1.846 399 HB3 TYR 52 3HB TYR 52 13.177 3.116 -0.369 400 HD1 TYR 52 2HD TYR 52 15.642 5.923 -1.208 401 HD2 TYR 52 1HD TYR 52 11.961 4.716 0.706 402 HE1 TYR 52 2HE TYR 52 15.234 8.228 -0.536 403 HE2 TYR 52 1HE TYR 52 11.595 6.993 1.436 404 HH TYR 52 HH TYR 52 12.699 9.238 1.712 405 H LYS 53 H LYS 53 15.948 1.412 -2.317 406 HA LYS 53 HA LYS 53 14.411 -0.917 -1.660 407 HB2 LYS 53 2HB LYS 53 17.042 -0.732 -3.182 408 HB3 LYS 53 3HB LYS 53 16.037 -2.153 -3.093 409 HG2 LYS 53 2HG LYS 53 14.956 0.436 -4.263 410 HG3 LYS 53 3HG LYS 53 15.970 -0.652 -5.191 411 HD2 LYS 53 2HD LYS 53 14.252 -2.504 -4.595 412 HD3 LYS 53 3HD LYS 53 13.235 -1.166 -4.031 413 HE2 LYS 53 2HE LYS 53 12.531 -1.574 -6.258 414 HE3 LYS 53 3HE LYS 53 13.498 -0.101 -6.312 415 HZ1 LYS 53 3HZ LYS 53 15.390 -1.508 -7.053 416 HZ2 LYS 53 1HZ LYS 53 14.141 -1.502 -8.094 417 HZ3 LYS 53 2HZ LYS 53 14.372 -2.815 -7.150 418 H GLU 54 H GLU 54 17.912 -0.333 -1.142 419 HA GLU 54 HA GLU 54 18.210 -2.613 0.516 420 HB2 GLU 54 2HB GLU 54 19.969 -0.126 0.516 421 HB3 GLU 54 3HB GLU 54 20.393 -1.763 1.054 422 HG2 GLU 54 2HG GLU 54 19.629 -2.458 -1.361 423 HG3 GLU 54 3HG GLU 54 19.887 -0.779 -1.768 424 H ARG 55 H ARG 55 17.253 0.697 1.385 425 HA ARG 55 HA ARG 55 17.765 0.310 4.218 426 HB2 ARG 55 2HB ARG 55 16.390 2.410 2.598 427 HB3 ARG 55 3HB ARG 55 15.719 2.134 4.205 428 HG2 ARG 55 2HG ARG 55 17.394 3.902 4.292 429 HG3 ARG 55 3HG ARG 55 17.823 2.506 5.286 430 HD2 ARG 55 2HD ARG 55 19.214 1.700 3.283 431 HD3 ARG 55 3HD ARG 55 18.885 3.253 2.538 432 HE ARG 55 HE ARG 55 20.632 4.038 3.633 433 HH11 ARG 55 1HH1 ARG 55 19.483 1.392 5.819 434 HH12 ARG 55 2HH1 ARG 55 20.764 1.650 6.925 435 HH21 ARG 55 1HH2 ARG 55 22.364 4.075 4.864 436 HH22 ARG 55 2HH2 ARG 55 22.571 3.131 6.297 437 H LEU 56 H LEU 56 14.759 0.159 2.324 438 HA LEU 56 HA LEU 56 13.186 -0.763 4.528 439 HB2 LEU 56 2HB LEU 56 12.699 -1.094 1.551 440 HB3 LEU 56 3HB LEU 56 11.508 -1.287 2.851 441 HG LEU 56 HG LEU 56 12.906 1.323 2.110 442 HD11 LEU 56 1HD1 LEU 56 10.790 2.100 1.299 443 HD12 LEU 56 2HD1 LEU 56 9.989 0.578 1.765 444 HD13 LEU 56 3HD1 LEU 56 11.204 0.596 0.470 445 HD21 LEU 56 3HD2 LEU 56 10.812 0.747 4.210 446 HD22 LEU 56 1HD2 LEU 56 11.270 2.370 3.623 447 HD23 LEU 56 2HD2 LEU 56 12.478 1.356 4.429 448 H LEU 57 H LEU 57 14.883 -2.604 1.879 449 HA LEU 57 HA LEU 57 13.912 -5.112 2.721 450 HB2 LEU 57 2HB LEU 57 16.397 -4.212 1.239 451 HB3 LEU 57 3HB LEU 57 16.313 -5.875 1.756 452 HG LEU 57 HG LEU 57 14.069 -4.735 0.098 453 HD11 LEU 57 1HD1 LEU 57 16.635 -6.017 -0.899 454 HD12 LEU 57 2HD1 LEU 57 16.183 -4.311 -1.102 455 HD13 LEU 57 3HD1 LEU 57 15.227 -5.574 -1.895 456 HD21 LEU 57 3HD2 LEU 57 13.669 -7.013 -0.519 457 HD22 LEU 57 1HD2 LEU 57 13.710 -6.914 1.246 458 HD23 LEU 57 2HD2 LEU 57 15.113 -7.570 0.370 459 H ALA 58 H ALA 58 16.626 -3.149 3.957 460 HA ALA 58 HA ALA 58 17.622 -5.363 5.614 461 HB1 ALA 58 1HB ALA 58 19.404 -3.844 6.216 462 HB2 ALA 58 2HB ALA 58 19.194 -3.811 4.459 463 HB3 ALA 58 3HB ALA 58 18.562 -2.481 5.455 464 H ALA 59 H ALA 59 15.023 -3.297 5.956 465 HA ALA 59 HA ALA 59 15.455 -2.443 8.675 466 HB1 ALA 59 1HB ALA 59 12.798 -2.720 7.214 467 HB2 ALA 59 2HB ALA 59 13.269 -1.616 8.536 468 HB3 ALA 59 3HB ALA 59 13.937 -1.386 6.912 469 H SER 60 H SER 60 13.878 -3.207 10.477 470 HA SER 60 HA SER 60 13.334 -6.127 10.333 471 HB2 SER 60 2HB SER 60 15.529 -5.586 11.335 472 HB3 SER 60 3HB SER 60 14.732 -4.636 12.588 473 HG SER 60 HG SER 60 15.394 -6.864 13.006 474 H HIS 61 H HIS 61 11.105 -5.783 10.091 475 HA HIS 61 HA HIS 61 9.723 -4.645 12.474 476 HB2 HIS 61 2HB HIS 61 9.814 -3.226 10.184 477 HB3 HIS 61 3HB HIS 61 8.625 -4.357 9.693 478 HD1 HIS 61 1HD HIS 61 6.743 -4.366 12.426 479 HD2 HIS 61 2HD HIS 61 8.412 -1.104 10.317 480 HE1 HIS 61 1HE HIS 61 5.230 -2.399 12.819 481 H HIS 62 H HIS 62 8.171 -6.048 13.207 482 HA HIS 62 HA HIS 62 7.754 -8.610 12.131 483 HB2 HIS 62 2HB HIS 62 6.013 -8.761 13.838 484 HB3 HIS 62 3HB HIS 62 7.455 -8.008 14.492 485 HD1 HIS 62 1HD HIS 62 7.251 -5.370 15.140 486 HD2 HIS 62 2HD HIS 62 3.778 -7.239 13.651 487 HE1 HIS 62 1HE HIS 62 5.346 -3.673 15.373 488 H LEU 63 H LEU 63 6.627 -5.812 10.713 489 HA LEU 63 HA LEU 63 4.071 -6.993 9.759 490 HB2 LEU 63 2HB LEU 63 5.058 -4.124 9.615 491 HB3 LEU 63 3HB LEU 63 3.525 -4.720 8.982 492 HG LEU 63 HG LEU 63 4.361 -4.654 11.899 493 HD11 LEU 63 1HD1 LEU 63 2.659 -2.969 12.173 494 HD12 LEU 63 2HD1 LEU 63 2.169 -3.118 10.461 495 HD13 LEU 63 3HD1 LEU 63 3.754 -2.456 10.879 496 HD21 LEU 63 3HD2 LEU 63 1.977 -5.338 12.366 497 HD22 LEU 63 1HD2 LEU 63 2.944 -6.609 11.614 498 HD23 LEU 63 2HD2 LEU 63 1.799 -5.698 10.633 499 H ILE 64 H ILE 64 7.380 -6.402 8.812 500 HA ILE 64 HA ILE 64 6.626 -6.505 5.943 501 HB ILE 64 HB ILE 64 9.340 -5.943 7.197 502 HG12 ILE 64 2HG1 ILE 64 7.355 -3.819 6.268 503 HG13 ILE 64 3HG1 ILE 64 7.619 -4.190 7.916 504 HG21 ILE 64 1HG2 ILE 64 9.659 -6.465 4.894 505 HG22 ILE 64 2HG2 ILE 64 8.193 -5.589 4.387 506 HG23 ILE 64 3HG2 ILE 64 9.626 -4.731 4.905 507 HD11 ILE 64 3HD1 ILE 64 9.010 -2.360 7.595 508 HD12 ILE 64 1HD1 ILE 64 10.138 -3.724 7.552 509 HD13 ILE 64 2HD1 ILE 64 9.648 -2.939 6.043 510 H SER 65 H SER 65 8.217 -7.848 4.694 511 HA SER 65 HA SER 65 8.855 -10.464 6.023 512 HB2 SER 65 2HB SER 65 8.312 -11.458 3.765 513 HB3 SER 65 3HB SER 65 6.934 -10.797 4.633 514 HG SER 65 HG SER 65 7.164 -8.874 3.364 515 H SER 66 H SER 66 10.869 -11.417 5.350 516 HA SER 66 HA SER 66 12.927 -9.644 4.553 517 HB2 SER 66 2HB SER 66 14.297 -11.707 4.391 518 HB3 SER 66 3HB SER 66 13.367 -11.621 5.893 519 HG SER 66 HG SER 66 11.955 -13.137 5.136 520 H ASP 67 H ASP 67 10.585 -11.244 2.684 521 HA ASP 67 HA ASP 67 11.973 -11.521 0.162 522 HB2 ASP 67 2HB ASP 67 9.024 -11.380 0.905 523 HB3 ASP 67 3HB ASP 67 9.603 -11.583 -0.747 524 H GLY 68 H GLY 68 10.761 -8.793 2.002 525 HA2 GLY 68 2HA GLY 68 11.242 -6.661 1.566 526 HA3 GLY 68 3HA GLY 68 11.347 -6.939 -0.178 527 H VAL 69 H VAL 69 8.540 -8.253 1.493 528 HA VAL 69 HA VAL 69 6.893 -6.145 0.208 529 HB VAL 69 HB VAL 69 6.120 -8.935 1.105 530 HG11 VAL 69 1HG1 VAL 69 4.254 -7.221 0.925 531 HG12 VAL 69 2HG1 VAL 69 4.604 -7.170 -0.818 532 HG13 VAL 69 3HG1 VAL 69 4.110 -8.689 -0.048 533 HG21 VAL 69 3HG2 VAL 69 6.866 -7.914 -1.662 534 HG22 VAL 69 1HG2 VAL 69 7.696 -9.176 -0.730 535 HG23 VAL 69 2HG2 VAL 69 6.065 -9.462 -1.338 536 H ILE 70 H ILE 70 6.034 -4.642 1.483 537 HA ILE 70 HA ILE 70 5.848 -4.954 4.419 538 HB ILE 70 HB ILE 70 5.403 -2.538 2.583 539 HG12 ILE 70 2HG1 ILE 70 7.792 -3.217 4.344 540 HG13 ILE 70 3HG1 ILE 70 7.782 -3.135 2.621 541 HG21 ILE 70 1HG2 ILE 70 5.532 -2.616 5.625 542 HG22 ILE 70 2HG2 ILE 70 5.316 -1.168 4.628 543 HG23 ILE 70 3HG2 ILE 70 4.058 -2.389 4.663 544 HD11 ILE 70 3HD1 ILE 70 7.454 -0.793 4.549 545 HD12 ILE 70 1HD1 ILE 70 8.828 -1.147 3.517 546 HD13 ILE 70 2HD1 ILE 70 7.276 -0.670 2.780 547 H VAL 71 H VAL 71 3.827 -5.481 5.297 548 HA VAL 71 HA VAL 71 1.446 -5.020 3.572 549 HB VAL 71 HB VAL 71 0.402 -7.004 4.638 550 HG11 VAL 71 1HG1 VAL 71 1.424 -8.596 3.095 551 HG12 VAL 71 2HG1 VAL 71 1.181 -7.011 2.347 552 HG13 VAL 71 3HG1 VAL 71 2.816 -7.516 2.863 553 HG21 VAL 71 3HG2 VAL 71 1.790 -8.792 5.483 554 HG22 VAL 71 1HG2 VAL 71 3.258 -7.799 5.330 555 HG23 VAL 71 2HG2 VAL 71 1.968 -7.330 6.492 556 H ILE 72 H ILE 72 -0.290 -4.099 4.458 557 HA ILE 72 HA ILE 72 -0.122 -3.369 7.312 558 HB ILE 72 HB ILE 72 -0.653 -1.594 4.949 559 HG12 ILE 72 2HG1 ILE 72 1.387 -1.436 7.231 560 HG13 ILE 72 3HG1 ILE 72 1.735 -2.085 5.631 561 HG21 ILE 72 1HG2 ILE 72 -0.927 -0.761 7.866 562 HG22 ILE 72 2HG2 ILE 72 -1.129 0.252 6.433 563 HG23 ILE 72 3HG2 ILE 72 -2.302 -1.011 6.759 564 HD11 ILE 72 3HD1 ILE 72 1.179 0.753 6.353 565 HD12 ILE 72 1HD1 ILE 72 2.536 0.027 5.454 566 HD13 ILE 72 2HD1 ILE 72 0.950 0.147 4.691 567 H LYS 73 H LYS 73 -2.090 -3.291 8.443 568 HA LYS 73 HA LYS 73 -4.507 -4.161 6.921 569 HB2 LYS 73 2HB LYS 73 -3.641 -5.230 9.632 570 HB3 LYS 73 3HB LYS 73 -5.080 -5.692 8.705 571 HG2 LYS 73 2HG LYS 73 -3.540 -6.434 6.847 572 HG3 LYS 73 3HG LYS 73 -2.164 -6.125 7.903 573 HD2 LYS 73 2HD LYS 73 -3.183 -7.742 9.573 574 HD3 LYS 73 3HD LYS 73 -4.322 -8.222 8.291 575 HE2 LYS 73 2HE LYS 73 -2.375 -8.774 6.814 576 HE3 LYS 73 3HE LYS 73 -1.262 -8.249 8.063 577 HZ1 LYS 73 3HZ LYS 73 -1.428 -10.563 8.178 578 HZ2 LYS 73 1HZ LYS 73 -3.073 -10.567 8.140 579 HZ3 LYS 73 2HZ LYS 73 -2.259 -10.029 9.479 580 H ALA 74 H ALA 74 -5.456 -2.217 6.883 581 HA ALA 74 HA ALA 74 -5.681 -0.553 9.321 582 HB1 ALA 74 1HB ALA 74 -6.826 1.005 7.675 583 HB2 ALA 74 2HB ALA 74 -5.157 0.607 7.252 584 HB3 ALA 74 3HB ALA 74 -6.504 -0.198 6.417 585 H GLN 75 H GLN 75 -7.515 -0.533 10.556 586 HA GLN 75 HA GLN 75 -10.064 -1.409 9.467 587 HB2 GLN 75 2HB GLN 75 -10.146 -3.076 11.587 588 HB3 GLN 75 3HB GLN 75 -9.772 -3.517 9.957 589 HG2 GLN 75 2HG GLN 75 -7.275 -3.381 10.558 590 HG3 GLN 75 3HG GLN 75 -7.790 -3.250 12.236 591 HE21 GLN 75 1HE2 GLN 75 -8.239 -5.236 9.244 592 HE22 GLN 75 2HE2 GLN 75 -8.526 -6.746 10.106 593 H GLU 76 H GLU 76 -11.319 0.182 10.131 594 HA GLU 76 HA GLU 76 -11.714 0.785 12.931 595 HB2 GLU 76 2HB GLU 76 -10.777 3.007 11.064 596 HB3 GLU 76 3HB GLU 76 -11.383 3.216 12.687 597 HG2 GLU 76 2HG GLU 76 -8.739 1.984 11.871 598 HG3 GLU 76 3HG GLU 76 -9.023 3.566 12.576 599 H TYR 77 H TYR 77 -12.217 2.134 9.573 600 HA TYR 77 HA TYR 77 -14.806 3.122 10.197 601 HB2 TYR 77 2HB TYR 77 -13.760 2.595 7.404 602 HB3 TYR 77 3HB TYR 77 -15.020 3.661 7.859 603 HD1 TYR 77 1HD TYR 77 -11.319 3.114 8.072 604 HD2 TYR 77 2HD TYR 77 -14.572 5.953 8.244 605 HE1 TYR 77 1HE TYR 77 -9.728 4.952 7.842 606 HE2 TYR 77 2HE TYR 77 -12.958 7.793 7.994 607 HH TYR 77 HH TYR 77 -10.790 8.302 7.393 608 H ARG 78 H ARG 78 -16.699 2.558 8.886 609 HA ARG 78 HA ARG 78 -17.216 -0.280 9.186 610 HB2 ARG 78 2HB ARG 78 -18.605 2.105 9.695 611 HB3 ARG 78 3HB ARG 78 -19.379 1.566 8.217 612 HG2 ARG 78 2HG ARG 78 -19.109 -0.003 10.821 613 HG3 ARG 78 3HG ARG 78 -20.547 0.850 10.240 614 HD2 ARG 78 2HD ARG 78 -20.440 -0.624 8.168 615 HD3 ARG 78 3HD ARG 78 -19.241 -1.609 9.041 616 HE ARG 78 HE ARG 78 -21.017 -1.841 10.829 617 HH11 ARG 78 1HH1 ARG 78 -21.898 -1.550 7.352 618 HH12 ARG 78 2HH1 ARG 78 -23.439 -2.301 7.600 619 HH21 ARG 78 1HH2 ARG 78 -22.955 -2.793 11.071 620 HH22 ARG 78 2HH2 ARG 78 -24.077 -3.019 9.754 621 H SER 79 H SER 79 -16.151 1.569 6.577 622 HA SER 79 HA SER 79 -17.623 -0.059 4.543 623 HB2 SER 79 2HB SER 79 -16.048 2.523 4.205 624 HB3 SER 79 3HB SER 79 -17.141 1.788 3.031 625 HG SER 79 HG SER 79 -18.820 2.128 4.714 626 H GLN 80 H GLN 80 -16.336 -1.006 2.782 627 HA GLN 80 HA GLN 80 -13.597 -1.627 3.610 628 HB2 GLN 80 2HB GLN 80 -15.480 -3.222 2.655 629 HB3 GLN 80 3HB GLN 80 -14.829 -2.720 1.103 630 HG2 GLN 80 2HG GLN 80 -12.859 -3.883 1.399 631 HG3 GLN 80 3HG GLN 80 -12.771 -3.499 3.108 632 HE21 GLN 80 1HE2 GLN 80 -12.321 -5.530 3.874 633 HE22 GLN 80 2HE2 GLN 80 -13.417 -6.887 3.778 634 H GLU 81 H GLU 81 -14.627 1.089 2.411 635 HA GLU 81 HA GLU 81 -12.690 1.342 0.169 636 HB2 GLU 81 2HB GLU 81 -15.310 1.547 -0.040 637 HB3 GLU 81 3HB GLU 81 -15.058 3.157 0.604 638 HG2 GLU 81 2HG GLU 81 -13.853 3.862 -1.320 639 HG3 GLU 81 3HG GLU 81 -13.374 2.214 -1.735 640 H LEU 82 H LEU 82 -13.227 2.302 3.388 641 HA LEU 82 HA LEU 82 -11.733 4.879 3.009 642 HB2 LEU 82 2HB LEU 82 -13.284 3.821 5.390 643 HB3 LEU 82 3HB LEU 82 -12.517 5.410 5.268 644 HG LEU 82 HG LEU 82 -14.826 4.390 3.541 645 HD11 LEU 82 1HD1 LEU 82 -14.788 6.433 5.784 646 HD12 LEU 82 2HD1 LEU 82 -15.496 4.796 5.840 647 HD13 LEU 82 3HD1 LEU 82 -16.181 6.025 4.764 648 HD21 LEU 82 3HD2 LEU 82 -15.010 6.708 2.752 649 HD22 LEU 82 1HD2 LEU 82 -13.482 5.987 2.258 650 HD23 LEU 82 2HD2 LEU 82 -13.513 7.138 3.613 651 H ASN 83 H ASN 83 -11.625 1.784 4.703 652 HA ASN 83 HA ASN 83 -9.339 2.386 6.306 653 HB2 ASN 83 2HB ASN 83 -9.986 -0.442 5.399 654 HB3 ASN 83 3HB ASN 83 -9.137 0.103 6.845 655 HD21 ASN 83 1HD2 ASN 83 -10.965 -1.573 7.800 656 HD22 ASN 83 2HD2 ASN 83 -12.533 -0.809 8.021 657 H ARG 84 H ARG 84 -9.738 1.528 2.952 658 HA ARG 84 HA ARG 84 -7.084 0.557 2.392 659 HB2 ARG 84 2HB ARG 84 -7.563 1.479 0.038 660 HB3 ARG 84 3HB ARG 84 -8.541 0.134 0.599 661 HG2 ARG 84 2HG ARG 84 -10.461 1.388 0.898 662 HG3 ARG 84 3HG ARG 84 -9.575 2.906 1.077 663 HD2 ARG 84 2HD ARG 84 -10.520 3.162 -0.935 664 HD3 ARG 84 3HD ARG 84 -8.865 2.663 -1.348 665 HE ARG 84 HE ARG 84 -10.337 0.313 -1.424 666 HH11 ARG 84 1HH1 ARG 84 -10.419 3.462 -3.015 667 HH12 ARG 84 2HH1 ARG 84 -11.246 2.940 -4.437 668 HH21 ARG 84 1HH2 ARG 84 -11.724 -0.380 -3.139 669 HH22 ARG 84 2HH2 ARG 84 -12.027 0.675 -4.497 670 H GLU 85 H GLU 85 -8.408 3.958 2.293 671 HA GLU 85 HA GLU 85 -5.772 4.893 1.671 672 HB2 GLU 85 2HB GLU 85 -6.610 7.110 1.904 673 HB3 GLU 85 3HB GLU 85 -7.710 6.135 0.928 674 HG2 GLU 85 2HG GLU 85 -9.315 6.005 2.693 675 HG3 GLU 85 3HG GLU 85 -8.155 6.687 3.865 676 H ALA 86 H ALA 86 -7.427 4.140 4.719 677 HA ALA 86 HA ALA 86 -5.607 5.626 6.357 678 HB1 ALA 86 1HB ALA 86 -7.292 3.150 6.961 679 HB2 ALA 86 2HB ALA 86 -6.457 4.155 8.165 680 HB3 ALA 86 3HB ALA 86 -7.752 4.847 7.177 681 H ALA 87 H ALA 87 -5.381 2.560 4.651 682 HA ALA 87 HA ALA 87 -3.111 1.557 6.134 683 HB1 ALA 87 1HB ALA 87 -4.678 0.078 4.857 684 HB2 ALA 87 2HB ALA 87 -4.064 0.779 3.347 685 HB3 ALA 87 3HB ALA 87 -2.975 -0.130 4.413 686 H LEU 88 H LEU 88 -3.512 3.486 3.090 687 HA LEU 88 HA LEU 88 -0.702 3.405 2.475 688 HB2 LEU 88 2HB LEU 88 -1.096 4.780 0.706 689 HB3 LEU 88 3HB LEU 88 -2.648 4.014 0.929 690 HG LEU 88 HG LEU 88 -3.086 6.246 2.392 691 HD11 LEU 88 1HD1 LEU 88 -1.170 7.254 0.285 692 HD12 LEU 88 2HD1 LEU 88 -0.798 7.178 2.016 693 HD13 LEU 88 3HD1 LEU 88 -2.106 8.214 1.440 694 HD21 LEU 88 3HD2 LEU 88 -3.273 6.487 -0.609 695 HD22 LEU 88 1HD2 LEU 88 -4.371 7.106 0.654 696 HD23 LEU 88 2HD2 LEU 88 -4.305 5.381 0.287 697 H ALA 89 H ALA 89 -2.701 5.561 4.499 698 HA ALA 89 HA ALA 89 -0.748 7.521 5.037 699 HB1 ALA 89 1HB ALA 89 -3.175 7.642 5.671 700 HB2 ALA 89 2HB ALA 89 -2.872 6.462 6.964 701 HB3 ALA 89 3HB ALA 89 -2.085 8.051 7.008 702 H ARG 90 H ARG 90 -1.292 4.309 6.540 703 HA ARG 90 HA ARG 90 0.765 4.571 8.568 704 HB2 ARG 90 2HB ARG 90 -0.759 2.242 7.342 705 HB3 ARG 90 3HB ARG 90 0.486 2.009 8.562 706 HG2 ARG 90 2HG ARG 90 -0.746 3.304 10.180 707 HG3 ARG 90 3HG ARG 90 -1.997 3.728 8.989 708 HD2 ARG 90 2HD ARG 90 -2.659 1.398 8.798 709 HD3 ARG 90 3HD ARG 90 -1.266 0.889 9.772 710 HE ARG 90 HE ARG 90 -2.845 2.751 11.248 711 HH11 ARG 90 1HH1 ARG 90 -2.637 -0.745 10.422 712 HH12 ARG 90 2HH1 ARG 90 -3.812 -1.184 11.603 713 HH21 ARG 90 1HH2 ARG 90 -4.412 2.041 12.821 714 HH22 ARG 90 2HH2 ARG 90 -4.975 0.409 12.827 715 H LEU 91 H LEU 91 0.676 3.310 5.200 716 HA LEU 91 HA LEU 91 3.209 2.060 5.223 717 HB2 LEU 91 2HB LEU 91 1.546 1.783 3.371 718 HB3 LEU 91 3HB LEU 91 1.760 3.459 2.916 719 HG LEU 91 HG LEU 91 4.077 3.079 2.297 720 HD11 LEU 91 1HD1 LEU 91 4.952 0.718 2.179 721 HD12 LEU 91 2HD1 LEU 91 3.561 0.189 3.142 722 HD13 LEU 91 3HD1 LEU 91 4.768 1.318 3.820 723 HD21 LEU 91 3HD2 LEU 91 3.700 1.741 0.306 724 HD22 LEU 91 1HD2 LEU 91 2.283 2.748 0.634 725 HD23 LEU 91 2HD2 LEU 91 2.250 1.019 1.026 726 H VAL 92 H VAL 92 2.313 5.327 4.215 727 HA VAL 92 HA VAL 92 4.865 6.317 3.643 728 HB VAL 92 HB VAL 92 2.472 7.665 4.910 729 HG11 VAL 92 1HG1 VAL 92 4.586 9.124 5.206 730 HG12 VAL 92 2HG1 VAL 92 4.530 9.311 3.446 731 HG13 VAL 92 3HG1 VAL 92 3.161 9.825 4.440 732 HG21 VAL 92 3HG2 VAL 92 1.820 8.427 2.754 733 HG22 VAL 92 1HG2 VAL 92 3.335 7.842 2.043 734 HG23 VAL 92 2HG2 VAL 92 2.110 6.692 2.636 735 H ALA 93 H ALA 93 3.180 6.106 6.780 736 HA ALA 93 HA ALA 93 4.959 7.598 8.375 737 HB1 ALA 93 1HB ALA 93 3.778 6.593 10.269 738 HB2 ALA 93 2HB ALA 93 2.616 7.017 9.013 739 HB3 ALA 93 3HB ALA 93 3.109 5.328 9.253 740 H MET 94 H MET 94 4.688 4.000 8.181 741 HA MET 94 HA MET 94 7.074 3.577 9.781 742 HB2 MET 94 2HB MET 94 6.941 1.261 8.999 743 HB3 MET 94 3HB MET 94 5.358 1.856 9.514 744 HG2 MET 94 2HG MET 94 4.826 2.306 7.084 745 HG3 MET 94 3HG MET 94 6.297 1.499 6.646 746 HE1 MET 94 3HE MET 94 6.679 -1.176 7.611 747 HE2 MET 94 1HE MET 94 5.867 -0.958 9.187 748 HE3 MET 94 2HE MET 94 5.305 -2.210 8.060 749 H ILE 95 H ILE 95 6.609 4.104 6.233 750 HA ILE 95 HA ILE 95 9.257 3.335 5.575 751 HB ILE 95 HB ILE 95 7.250 5.183 4.276 752 HG12 ILE 95 2HG1 ILE 95 8.556 2.567 3.354 753 HG13 ILE 95 3HG1 ILE 95 7.048 2.633 4.257 754 HG21 ILE 95 1HG2 ILE 95 10.068 4.596 3.251 755 HG22 ILE 95 2HG2 ILE 95 8.768 5.326 2.293 756 HG23 ILE 95 3HG2 ILE 95 9.401 6.184 3.685 757 HD11 ILE 95 3HD1 ILE 95 6.495 2.408 1.935 758 HD12 ILE 95 1HD1 ILE 95 6.066 4.066 2.427 759 HD13 ILE 95 2HD1 ILE 95 7.520 3.750 1.465 760 H LYS 96 H LYS 96 7.979 6.356 7.025 761 HA LYS 96 HA LYS 96 10.508 7.819 6.840 762 HB2 LYS 96 2HB LYS 96 7.924 8.381 8.340 763 HB3 LYS 96 3HB LYS 96 9.314 9.477 8.294 764 HG2 LYS 96 2HG LYS 96 9.190 9.616 5.841 765 HG3 LYS 96 3HG LYS 96 7.873 8.476 5.850 766 HD2 LYS 96 2HD LYS 96 6.387 10.037 6.914 767 HD3 LYS 96 3HD LYS 96 7.752 11.096 7.324 768 HE2 LYS 96 2HE LYS 96 8.153 11.146 4.717 769 HE3 LYS 96 3HE LYS 96 6.467 10.624 4.623 770 HZ1 LYS 96 3HZ LYS 96 6.703 13.023 4.545 771 HZ2 LYS 96 1HZ LYS 96 7.447 13.046 6.016 772 HZ3 LYS 96 2HZ LYS 96 5.880 12.588 5.914 773 H GLU 97 H GLU 97 10.275 5.156 8.351 774 HA GLU 97 HA GLU 97 11.819 5.975 10.742 775 HB2 GLU 97 2HB GLU 97 9.385 4.146 10.550 776 HB3 GLU 97 3HB GLU 97 10.555 3.941 11.814 777 HG2 GLU 97 2HG GLU 97 10.242 6.460 12.331 778 HG3 GLU 97 3HG GLU 97 8.881 6.422 11.203 779 H LEU 98 H LEU 98 11.029 3.570 8.263 780 HA LEU 98 HA LEU 98 13.269 1.832 8.878 781 HB2 LEU 98 2HB LEU 98 11.538 1.937 6.412 782 HB3 LEU 98 3HB LEU 98 12.560 0.605 6.885 783 HG LEU 98 HG LEU 98 10.317 1.615 8.645 784 HD11 LEU 98 1HD1 LEU 98 10.053 -0.470 6.457 785 HD12 LEU 98 2HD1 LEU 98 9.313 1.146 6.462 786 HD13 LEU 98 3HD1 LEU 98 8.804 -0.051 7.658 787 HD21 LEU 98 3HD2 LEU 98 11.153 -1.265 8.548 788 HD22 LEU 98 1HD2 LEU 98 10.307 -0.363 9.796 789 HD23 LEU 98 2HD2 LEU 98 12.013 -0.065 9.568 790 H THR 99 H THR 99 13.028 4.657 7.044 791 HA THR 99 HA THR 99 15.724 4.096 5.795 792 HB THR 99 HB THR 99 15.356 5.080 3.795 793 HG1 THR 99 1HG THR 99 14.639 6.971 3.946 794 HG21 THR 99 3HG2 THR 99 12.515 4.187 4.316 795 HG22 THR 99 1HG2 THR 99 13.872 3.120 3.865 796 HG23 THR 99 2HG2 THR 99 13.333 4.378 2.753 797 H THR 100 H THR 100 14.041 6.230 7.933 798 HA THR 100 HA THR 100 16.412 7.809 8.191 799 HB THR 100 HB THR 100 14.830 8.628 6.306 800 HG1 THR 100 1HG THR 100 16.548 9.790 7.348 801 HG21 THR 100 3HG2 THR 100 13.245 9.875 8.563 802 HG22 THR 100 1HG2 THR 100 12.715 8.500 7.577 803 HG23 THR 100 2HG2 THR 100 13.008 10.059 6.801 804 H GLU 101 H GLU 101 16.130 9.261 10.124 805 HA GLU 101 HA GLU 101 14.210 8.181 12.142 806 HB2 GLU 101 2HB GLU 101 17.095 9.142 12.390 807 HB3 GLU 101 3HB GLU 101 16.061 8.762 13.774 808 HG2 GLU 101 2HG GLU 101 15.920 6.450 13.183 809 HG3 GLU 101 3HG GLU 101 16.697 6.730 11.630 810 H LYS 102 H LYS 102 14.656 9.995 14.094 811 HA LYS 102 HA LYS 102 14.162 12.713 13.047 812 HB2 LYS 102 2HB LYS 102 12.531 11.247 15.194 813 HB3 LYS 102 3HB LYS 102 12.539 12.986 14.951 814 HG2 LYS 102 2HG LYS 102 10.612 12.332 13.910 815 HG3 LYS 102 3HG LYS 102 11.719 12.590 12.576 816 HD2 LYS 102 2HD LYS 102 12.009 10.141 12.321 817 HD3 LYS 102 3HD LYS 102 11.096 9.867 13.823 818 HE2 LYS 102 2HE LYS 102 9.130 10.973 12.739 819 HE3 LYS 102 3HE LYS 102 10.042 11.067 11.220 820 HZ1 LYS 102 3HZ LYS 102 10.068 8.685 11.128 821 HZ2 LYS 102 1HZ LYS 102 8.514 9.132 11.550 822 HZ3 LYS 102 2HZ LYS 102 9.501 8.570 12.693 823 H LYS 103 H LYS 103 14.975 14.243 14.457 824 HA LYS 103 HA LYS 103 16.574 13.321 16.814 825 HB2 LYS 103 2HB LYS 103 17.380 15.426 14.775 826 HB3 LYS 103 3HB LYS 103 18.328 14.928 16.161 827 HG2 LYS 103 2HG LYS 103 17.646 13.174 13.753 828 HG3 LYS 103 3HG LYS 103 19.177 13.978 14.016 829 HD2 LYS 103 2HD LYS 103 18.021 11.907 15.907 830 HD3 LYS 103 3HD LYS 103 19.132 11.523 14.585 831 HE2 LYS 103 2HE LYS 103 20.939 12.632 15.591 832 HE3 LYS 103 3HE LYS 103 19.898 13.602 16.637 833 HZ1 LYS 103 3HZ LYS 103 20.181 10.680 16.946 834 HZ2 LYS 103 1HZ LYS 103 19.400 11.723 17.947 835 HZ3 LYS 103 2HZ LYS 103 21.024 11.832 17.818 836 H ALA 104 H ALA 104 13.864 14.836 16.048 837 HA ALA 104 HA ALA 104 14.041 16.805 18.227 838 HB1 ALA 104 1HB ALA 104 14.364 18.001 16.075 839 HB2 ALA 104 2HB ALA 104 12.849 17.313 15.453 840 HB3 ALA 104 3HB ALA 104 12.819 18.428 16.839 841 H ARG 105 H ARG 105 11.908 17.267 19.063 842 HA ARG 105 HA ARG 105 9.938 15.045 18.681 843 HB2 ARG 105 2HB ARG 105 10.570 16.965 20.975 844 HB3 ARG 105 3HB ARG 105 9.112 15.976 20.930 845 HG2 ARG 105 2HG ARG 105 10.360 13.923 21.018 846 HG3 ARG 105 3HG ARG 105 11.898 14.759 20.792 847 HD2 ARG 105 2HD ARG 105 11.406 14.039 23.172 848 HD3 ARG 105 3HD ARG 105 11.831 15.743 22.949 849 HE ARG 105 HE ARG 105 8.968 15.227 22.897 850 HH11 ARG 105 1HH1 ARG 105 11.533 15.340 25.273 851 HH12 ARG 105 2HH1 ARG 105 10.747 16.461 26.345 852 HH21 ARG 105 1HH2 ARG 105 7.834 16.700 24.286 853 HH22 ARG 105 2HH2 ARG 105 8.451 17.036 25.878 854 H ARG 106 H ARG 106 7.660 15.689 18.990 855 HA ARG 106 HA ARG 106 6.953 17.841 17.223 856 HB2 ARG 106 2HB ARG 106 5.630 15.675 17.657 857 HB3 ARG 106 3HB ARG 106 5.155 16.401 19.194 858 HG2 ARG 106 2HG ARG 106 3.345 16.933 17.989 859 HG3 ARG 106 3HG ARG 106 4.279 18.367 17.656 860 HD2 ARG 106 2HD ARG 106 3.907 15.936 15.844 861 HD3 ARG 106 3HD ARG 106 3.152 17.507 15.655 862 HE ARG 106 HE ARG 106 5.057 18.417 14.762 863 HH11 ARG 106 1HH1 ARG 106 5.453 14.966 15.210 864 HH12 ARG 106 2HH1 ARG 106 7.084 14.884 14.668 865 HH21 ARG 106 1HH2 ARG 106 7.300 18.401 14.075 866 HH22 ARG 106 2HH2 ARG 106 8.157 16.888 14.027 867 HA PRO 107 HA PRO 107 7.334 20.831 20.577 868 HB2 PRO 107 2HB PRO 107 6.399 23.062 19.320 869 HB3 PRO 107 3HB PRO 107 7.957 22.286 18.881 870 HG2 PRO 107 2HG PRO 107 5.287 22.028 17.502 871 HG3 PRO 107 3HG PRO 107 6.908 22.281 16.777 872 HD2 PRO 107 2HD PRO 107 5.690 19.791 16.999 873 HD3 PRO 107 3HD PRO 107 7.451 20.012 17.020 874 H THR 108 H THR 108 4.186 20.438 18.861 875 HA THR 108 HA THR 108 2.626 21.918 20.679 876 HB THR 108 HB THR 108 0.788 20.639 19.457 877 HG1 THR 108 1HG THR 108 1.316 19.280 17.925 878 HG21 THR 108 3HG2 THR 108 1.545 22.823 18.648 879 HG22 THR 108 1HG2 THR 108 1.332 21.743 17.255 880 HG23 THR 108 2HG2 THR 108 2.950 22.098 17.842 881 H ARG 109 H ARG 109 0.646 20.705 21.746 882 HA ARG 109 HA ARG 109 1.837 18.673 23.553 883 HB2 ARG 109 2HB ARG 109 0.525 19.489 25.292 884 HB3 ARG 109 3HB ARG 109 1.250 20.910 24.552 885 HG2 ARG 109 2HG ARG 109 -1.616 19.984 24.016 886 HG3 ARG 109 3HG ARG 109 -1.166 21.052 25.322 887 HD2 ARG 109 2HD ARG 109 -0.521 21.811 22.462 888 HD3 ARG 109 3HD ARG 109 -2.115 22.063 23.167 889 HE ARG 109 HE ARG 109 -0.199 23.058 24.983 890 HH11 ARG 109 1HH1 ARG 109 -1.712 23.891 21.869 891 HH12 ARG 109 2HH1 ARG 109 -1.780 25.591 22.238 892 HH21 ARG 109 1HH2 ARG 109 -0.205 25.325 25.381 893 HH22 ARG 109 2HH2 ARG 109 -0.675 26.421 24.143 894 H SER 110 H SER 110 0.579 16.954 24.302 895 HA SER 110 HA SER 110 -2.034 16.399 23.134 896 HB2 SER 110 2HB SER 110 0.356 14.519 22.849 897 HB3 SER 110 3HB SER 110 -1.299 14.193 22.319 898 HG SER 110 HG SER 110 0.392 15.036 20.740 899 H GLY 111 H GLY 111 -3.190 15.089 24.629 900 HA2 GLY 111 2HA GLY 111 -3.572 13.786 26.487 901 HA3 GLY 111 3HA GLY 111 -1.841 13.603 26.729 902 HA PRO 112 HA PRO 112 -3.015 17.678 29.001 903 HB2 PRO 112 2HB PRO 112 -5.694 18.234 29.390 904 HB3 PRO 112 3HB PRO 112 -4.778 18.835 27.987 905 HG2 PRO 112 2HG PRO 112 -6.642 16.470 28.152 906 HG3 PRO 112 3HG PRO 112 -6.480 17.674 26.841 907 HD2 PRO 112 2HD PRO 112 -5.338 15.173 26.752 908 HD3 PRO 112 3HD PRO 112 -4.619 16.594 25.944 909 H SER 113 H SER 113 -2.938 17.465 31.292 910 HA SER 113 HA SER 113 -3.768 14.920 32.425 911 HB2 SER 113 2HB SER 113 -2.987 16.035 34.554 912 HB3 SER 113 3HB SER 113 -1.767 15.878 33.278 913 HG SER 113 HG SER 113 -2.082 17.950 34.498 914 H SER 114 H SER 114 -4.754 18.317 32.601 915 HA SER 114 HA SER 114 -7.525 17.666 33.371 916 HB2 SER 114 2HB SER 114 -5.787 19.907 34.516 917 HB3 SER 114 3HB SER 114 -7.448 19.514 34.987 918 HG SER 114 HG SER 114 -6.728 17.962 36.231 919 H GLY 115 H GLY 115 -8.967 19.573 32.659 920 HA2 GLY 115 2HA GLY 115 -8.603 21.858 31.455 921 HA3 GLY 115 3HA GLY 115 -7.820 20.858 30.219 922 H GLU 116 H GLU 116 -10.832 21.348 31.974 923 HA GLU 116 HA GLU 116 -12.361 19.577 30.209 924 HB2 GLU 116 2HB GLU 116 -12.929 21.334 32.623 925 HB3 GLU 116 3HB GLU 116 -14.260 20.679 31.659 926 HG2 GLU 116 2HG GLU 116 -13.486 19.323 33.730 927 HG3 GLU 116 3HG GLU 116 -13.821 18.482 32.226 928 H ASN 117 H ASN 117 -14.218 20.395 28.985 929 HA ASN 117 HA ASN 117 -14.001 23.175 27.989 930 HB2 ASN 117 2HB ASN 117 -14.270 22.159 25.626 931 HB3 ASN 117 3HB ASN 117 -12.703 22.110 26.393 932 HD21 ASN 117 1HD2 ASN 117 -11.646 20.172 26.418 933 HD22 ASN 117 2HD2 ASN 117 -12.451 18.610 26.361 934 H LEU 118 H LEU 118 -15.885 21.761 29.773 935 HA LEU 118 HA LEU 118 -18.375 21.417 28.283 936 HB2 LEU 118 2HB LEU 118 -17.649 21.489 31.247 937 HB3 LEU 118 3HB LEU 118 -19.316 21.530 30.684 938 HG LEU 118 HG LEU 118 -19.014 19.375 29.497 939 HD11 LEU 118 1HD1 LEU 118 -16.283 19.331 30.868 940 HD12 LEU 118 2HD1 LEU 118 -16.606 19.266 29.114 941 HD13 LEU 118 3HD1 LEU 118 -17.074 17.919 30.143 942 HD21 LEU 118 3HD2 LEU 118 -19.051 17.997 31.538 943 HD22 LEU 118 1HD2 LEU 118 -19.964 19.493 31.770 944 HD23 LEU 118 2HD2 LEU 118 -18.339 19.333 32.472 945 H TYR 119 H TYR 119 -18.684 23.326 27.177 946 HA TYR 119 HA TYR 119 -19.065 25.832 28.755 947 HB2 TYR 119 2HB TYR 119 -18.156 25.449 25.878 948 HB3 TYR 119 3HB TYR 119 -18.521 26.999 26.619 949 HD1 TYR 119 2HD TYR 119 -17.239 27.501 28.915 950 HD2 TYR 119 1HD TYR 119 -15.878 24.769 25.862 951 HE1 TYR 119 2HE TYR 119 -14.927 27.759 29.714 952 HE2 TYR 119 1HE TYR 119 -13.557 25.093 26.596 953 HH TYR 119 HH TYR 119 -12.195 25.924 28.268 954 H PHE 120 H PHE 120 -20.641 27.357 27.464 955 HA PHE 120 HA PHE 120 -22.709 26.081 25.923 956 HB2 PHE 120 2HB PHE 120 -24.481 26.891 27.393 957 HB3 PHE 120 3HB PHE 120 -23.490 25.713 28.232 958 HD1 PHE 120 2HD PHE 120 -24.477 29.282 28.047 959 HD2 PHE 120 1HD PHE 120 -22.050 26.375 30.127 960 HE1 PHE 120 2HE PHE 120 -24.121 30.891 29.884 961 HE2 PHE 120 1HE PHE 120 -21.699 27.995 31.973 962 HZ PHE 120 HZ PHE 120 -22.733 30.260 31.858 963 H GLN 121 H GLN 121 -24.295 28.075 25.417 964 HA GLN 121 HA GLN 121 -23.040 30.666 25.202 965 HB2 GLN 121 2HB GLN 121 -23.926 28.968 22.816 966 HB3 GLN 121 3HB GLN 121 -23.547 30.697 22.748 967 HG2 GLN 121 2HG GLN 121 -21.204 30.250 23.369 968 HG3 GLN 121 3HG GLN 121 -21.543 28.522 23.503 969 HE21 GLN 121 1HE2 GLN 121 -23.363 29.023 20.897 970 HE22 GLN 121 2HE2 GLN 121 -22.136 28.743 19.662 Start of MODEL 13 1 H1 MET 1 H MET 1 -0.885 8.898 -3.141 2 HA MET 1 HA MET 1 0.545 9.125 -5.130 3 HB2 MET 1 2HB MET 1 0.951 11.923 -4.011 4 HB3 MET 1 3HB MET 1 1.952 11.213 -5.257 5 HG2 MET 1 2HG MET 1 -1.008 11.770 -5.484 6 HG3 MET 1 3HG MET 1 0.311 12.546 -6.361 7 HE1 MET 1 3HE MET 1 2.069 9.596 -6.964 8 HE2 MET 1 1HE MET 1 1.566 9.539 -8.665 9 HE3 MET 1 2HE MET 1 1.999 11.091 -7.918 10 H ILE 2 H ILE 2 0.729 8.933 -1.766 11 HA ILE 2 HA ILE 2 2.392 8.565 -0.288 12 HB ILE 2 HB ILE 2 3.354 6.691 -2.454 13 HG12 ILE 2 2HG1 ILE 2 0.828 6.464 -0.763 14 HG13 ILE 2 3HG1 ILE 2 0.886 6.600 -2.512 15 HG21 ILE 2 1HG2 ILE 2 4.466 6.876 -0.114 16 HG22 ILE 2 2HG2 ILE 2 2.978 6.174 0.505 17 HG23 ILE 2 3HG2 ILE 2 3.963 5.256 -0.611 18 HD11 ILE 2 3HD1 ILE 2 2.122 4.163 -1.283 19 HD12 ILE 2 1HD1 ILE 2 0.371 4.317 -1.474 20 HD13 ILE 2 2HD1 ILE 2 1.405 4.441 -2.888 21 H VAL 3 H VAL 3 3.034 10.916 -1.400 22 HA VAL 3 HA VAL 3 5.655 10.920 -2.597 23 HB VAL 3 HB VAL 3 4.094 12.553 -3.272 24 HG11 VAL 3 1HG1 VAL 3 3.921 13.449 -0.383 25 HG12 VAL 3 2HG1 VAL 3 3.404 14.440 -1.748 26 HG13 VAL 3 3HG1 VAL 3 2.626 12.878 -1.449 27 HG21 VAL 3 3HG2 VAL 3 5.420 14.565 -3.121 28 HG22 VAL 3 1HG2 VAL 3 6.290 13.946 -1.706 29 HG23 VAL 3 2HG2 VAL 3 6.479 13.155 -3.280 30 H ILE 4 H ILE 4 7.014 9.889 -1.382 31 HA ILE 4 HA ILE 4 7.338 10.410 1.430 32 HB ILE 4 HB ILE 4 9.457 9.096 -0.284 33 HG12 ILE 4 2HG1 ILE 4 7.354 7.958 -0.759 34 HG13 ILE 4 3HG1 ILE 4 8.433 6.971 0.152 35 HG21 ILE 4 1HG2 ILE 4 9.833 7.872 1.898 36 HG22 ILE 4 2HG2 ILE 4 10.298 9.576 1.885 37 HG23 ILE 4 3HG2 ILE 4 8.795 9.068 2.681 38 HD11 ILE 4 3HD1 ILE 4 6.251 6.630 1.063 39 HD12 ILE 4 1HD1 ILE 4 7.081 7.607 2.267 40 HD13 ILE 4 2HD1 ILE 4 5.920 8.367 1.142 41 H SER 5 H SER 5 8.817 11.607 -1.635 42 HA SER 5 HA SER 5 9.886 13.927 -0.320 43 HB2 SER 5 2HB SER 5 11.567 11.773 -0.094 44 HB3 SER 5 3HB SER 5 12.035 12.332 -1.692 45 HG SER 5 HG SER 5 12.285 13.446 0.818 46 H ARG 6 H ARG 6 11.462 14.972 -1.921 47 HA ARG 6 HA ARG 6 10.222 16.013 -4.137 48 HB2 ARG 6 2HB ARG 6 12.217 16.921 -2.998 49 HB3 ARG 6 3HB ARG 6 13.182 15.572 -3.561 50 HG2 ARG 6 2HG ARG 6 13.755 17.432 -4.900 51 HG3 ARG 6 3HG ARG 6 12.849 16.331 -5.926 52 HD2 ARG 6 2HD ARG 6 12.234 18.611 -6.384 53 HD3 ARG 6 3HD ARG 6 10.839 17.745 -5.709 54 HE ARG 6 HE ARG 6 12.277 18.939 -3.588 55 HH11 ARG 6 1HH1 ARG 6 10.743 20.297 -6.499 56 HH12 ARG 6 2HH1 ARG 6 10.226 21.724 -5.701 57 HH21 ARG 6 1HH2 ARG 6 11.472 20.769 -2.516 58 HH22 ARG 6 2HH2 ARG 6 10.565 21.970 -3.364 59 H HIS 7 H HIS 7 12.475 13.177 -4.128 60 HA HIS 7 HA HIS 7 11.767 12.673 -6.979 61 HB2 HIS 7 2HB HIS 7 14.168 11.796 -5.339 62 HB3 HIS 7 3HB HIS 7 13.895 11.491 -7.033 63 HD1 HIS 7 1HD HIS 7 14.546 13.390 -8.760 64 HD2 HIS 7 2HD HIS 7 14.865 14.423 -4.690 65 HE1 HIS 7 1HE HIS 7 15.487 15.754 -8.677 66 H VAL 8 H VAL 8 10.316 11.669 -4.237 67 HA VAL 8 HA VAL 8 10.052 8.886 -5.240 68 HB VAL 8 HB VAL 8 10.424 9.711 -2.342 69 HG11 VAL 8 1HG1 VAL 8 10.491 7.262 -1.905 70 HG12 VAL 8 2HG1 VAL 8 8.928 7.778 -2.539 71 HG13 VAL 8 3HG1 VAL 8 10.096 6.983 -3.621 72 HG21 VAL 8 3HG2 VAL 8 12.516 8.292 -2.480 73 HG22 VAL 8 1HG2 VAL 8 12.315 8.298 -4.250 74 HG23 VAL 8 2HG2 VAL 8 12.600 9.810 -3.372 75 H ALA 9 H ALA 9 7.894 8.612 -5.797 76 HA ALA 9 HA ALA 9 5.793 9.194 -3.868 77 HB1 ALA 9 1HB ALA 9 6.108 11.415 -5.030 78 HB2 ALA 9 2HB ALA 9 5.710 10.604 -6.564 79 HB3 ALA 9 3HB ALA 9 4.512 10.696 -5.277 80 H ILE 10 H ILE 10 4.497 7.402 -3.991 81 HA ILE 10 HA ILE 10 4.569 5.752 -6.451 82 HB ILE 10 HB ILE 10 3.222 5.021 -3.809 83 HG12 ILE 10 2HG1 ILE 10 6.016 4.278 -4.744 84 HG13 ILE 10 3HG1 ILE 10 5.677 5.449 -3.488 85 HG21 ILE 10 1HG2 ILE 10 4.191 3.330 -6.121 86 HG22 ILE 10 2HG2 ILE 10 3.294 2.762 -4.702 87 HG23 ILE 10 3HG2 ILE 10 2.490 3.783 -5.861 88 HD11 ILE 10 3HD1 ILE 10 4.751 3.819 -1.986 89 HD12 ILE 10 1HD1 ILE 10 4.782 2.549 -3.226 90 HD13 ILE 10 2HD1 ILE 10 6.284 3.205 -2.620 91 HA PRO 11 HA PRO 11 0.599 7.602 -7.469 92 HB2 PRO 11 2HB PRO 11 -0.153 6.139 -9.654 93 HB3 PRO 11 3HB PRO 11 1.209 7.296 -9.652 94 HG2 PRO 11 2HG PRO 11 1.335 4.287 -9.253 95 HG3 PRO 11 3HG PRO 11 2.286 5.286 -10.400 96 HD2 PRO 11 2HD PRO 11 3.280 4.574 -7.973 97 HD3 PRO 11 3HD PRO 11 3.618 6.171 -8.663 98 H ASP 12 H ASP 12 0.815 4.986 -5.661 99 HA ASP 12 HA ASP 12 -0.559 3.861 -4.330 100 HB2 ASP 12 2HB ASP 12 -2.021 6.062 -4.672 101 HB3 ASP 12 3HB ASP 12 -3.140 4.899 -5.401 102 H GLY 13 H GLY 13 -0.191 3.218 -7.471 103 HA2 GLY 13 2HA GLY 13 -2.144 0.954 -7.576 104 HA3 GLY 13 3HA GLY 13 -1.396 1.733 -8.961 105 H GLU 14 H GLU 14 1.165 1.625 -7.030 106 HA GLU 14 HA GLU 14 2.255 -0.859 -8.171 107 HB2 GLU 14 2HB GLU 14 3.437 1.160 -6.286 108 HB3 GLU 14 3HB GLU 14 4.347 -0.018 -7.240 109 HG2 GLU 14 2HG GLU 14 2.786 2.359 -8.352 110 HG3 GLU 14 3HG GLU 14 4.520 2.269 -8.116 111 H LEU 15 H LEU 15 0.176 -0.511 -5.801 112 HA LEU 15 HA LEU 15 1.381 -2.424 -3.897 113 HB2 LEU 15 2HB LEU 15 -0.901 -0.483 -3.310 114 HB3 LEU 15 3HB LEU 15 0.045 -1.452 -2.187 115 HG LEU 15 HG LEU 15 2.071 -0.020 -3.069 116 HD11 LEU 15 1HD1 LEU 15 1.077 1.270 -4.821 117 HD12 LEU 15 2HD1 LEU 15 1.394 2.346 -3.496 118 HD13 LEU 15 3HD1 LEU 15 -0.271 1.753 -3.756 119 HD21 LEU 15 3HD2 LEU 15 -0.016 1.320 -1.310 120 HD22 LEU 15 1HD2 LEU 15 1.719 1.693 -1.378 121 HD23 LEU 15 2HD2 LEU 15 1.159 0.119 -0.743 122 H GLU 16 H GLU 16 -0.082 -3.905 -3.077 123 HA GLU 16 HA GLU 16 -2.403 -4.610 -4.833 124 HB2 GLU 16 2HB GLU 16 -0.587 -6.125 -5.080 125 HB3 GLU 16 3HB GLU 16 -0.407 -6.380 -3.366 126 HG2 GLU 16 2HG GLU 16 -2.991 -7.008 -4.833 127 HG3 GLU 16 3HG GLU 16 -1.617 -8.133 -4.808 128 H ILE 17 H ILE 17 -3.998 -3.617 -3.806 129 HA ILE 17 HA ILE 17 -4.215 -3.735 -0.866 130 HB ILE 17 HB ILE 17 -5.633 -2.087 -2.987 131 HG12 ILE 17 2HG1 ILE 17 -3.791 -1.096 -0.754 132 HG13 ILE 17 3HG1 ILE 17 -3.123 -1.604 -2.294 133 HG21 ILE 17 1HG2 ILE 17 -5.867 -1.909 0.041 134 HG22 ILE 17 2HG2 ILE 17 -6.680 -0.852 -1.137 135 HG23 ILE 17 3HG2 ILE 17 -7.131 -2.554 -1.034 136 HD11 ILE 17 3HD1 ILE 17 -3.405 0.764 -2.354 137 HD12 ILE 17 1HD1 ILE 17 -4.547 0.018 -3.489 138 HD13 ILE 17 2HD1 ILE 17 -5.125 0.640 -1.919 139 H THR 18 H THR 18 -5.660 -5.081 0.025 140 HA THR 18 HA THR 18 -7.574 -6.571 -1.710 141 HB THR 18 HB THR 18 -6.644 -8.155 0.532 142 HG1 THR 18 1HG THR 18 -4.522 -7.522 -1.224 143 HG21 THR 18 3HG2 THR 18 -5.878 -9.675 -1.298 144 HG22 THR 18 1HG2 THR 18 -6.435 -8.466 -2.470 145 HG23 THR 18 2HG2 THR 18 -7.581 -9.236 -1.335 146 H ALA 19 H ALA 19 -9.410 -7.441 -0.713 147 HA ALA 19 HA ALA 19 -10.382 -5.956 1.667 148 HB1 ALA 19 1HB ALA 19 -11.718 -7.962 -0.239 149 HB2 ALA 19 2HB ALA 19 -12.546 -6.984 0.987 150 HB3 ALA 19 3HB ALA 19 -11.794 -6.200 -0.421 151 H ILE 20 H ILE 20 -10.548 -6.806 3.612 152 HA ILE 20 HA ILE 20 -10.269 -9.732 3.939 153 HB ILE 20 HB ILE 20 -8.904 -9.124 6.001 154 HG12 ILE 20 2HG1 ILE 20 -8.047 -6.673 4.456 155 HG13 ILE 20 3HG1 ILE 20 -9.272 -6.638 5.710 156 HG21 ILE 20 1HG2 ILE 20 -7.541 -8.780 3.310 157 HG22 ILE 20 2HG2 ILE 20 -6.754 -9.268 4.838 158 HG23 ILE 20 3HG2 ILE 20 -7.937 -10.324 4.078 159 HD11 ILE 20 3HD1 ILE 20 -6.375 -7.453 6.127 160 HD12 ILE 20 1HD1 ILE 20 -7.170 -5.978 6.695 161 HD13 ILE 20 2HD1 ILE 20 -7.649 -7.540 7.363 162 H ARG 21 H ARG 21 -11.278 -10.558 5.817 163 HA ARG 21 HA ARG 21 -13.115 -8.711 7.238 164 HB2 ARG 21 2HB ARG 21 -14.318 -10.029 5.571 165 HB3 ARG 21 3HB ARG 21 -13.654 -11.533 6.212 166 HG2 ARG 21 2HG ARG 21 -15.054 -11.573 8.042 167 HG3 ARG 21 3HG ARG 21 -14.958 -9.826 8.268 168 HD2 ARG 21 2HD ARG 21 -17.151 -10.081 7.653 169 HD3 ARG 21 3HD ARG 21 -16.334 -9.589 6.162 170 HE ARG 21 HE ARG 21 -16.591 -12.481 6.484 171 HH11 ARG 21 1HH1 ARG 21 -18.157 -9.530 5.243 172 HH12 ARG 21 2HH1 ARG 21 -19.327 -10.382 4.293 173 HH21 ARG 21 1HH2 ARG 21 -18.072 -13.599 5.228 174 HH22 ARG 21 2HH2 ARG 21 -19.347 -12.790 4.359 175 H ALA 22 H ALA 22 -12.317 -8.611 9.300 176 HA ALA 22 HA ALA 22 -10.675 -10.765 10.406 177 HB1 ALA 22 1HB ALA 22 -10.504 -9.251 12.295 178 HB2 ALA 22 2HB ALA 22 -10.410 -8.245 10.857 179 HB3 ALA 22 3HB ALA 22 -11.931 -8.343 11.777 180 H GLN 23 H GLN 23 -11.403 -12.103 12.286 181 HA GLN 23 HA GLN 23 -14.245 -12.025 13.025 182 HB2 GLN 23 2HB GLN 23 -12.954 -14.351 11.516 183 HB3 GLN 23 3HB GLN 23 -14.363 -14.548 12.545 184 HG2 GLN 23 2HG GLN 23 -15.415 -12.605 11.124 185 HG3 GLN 23 3HG GLN 23 -14.161 -13.033 9.949 186 HE21 GLN 23 1HE2 GLN 23 -16.881 -14.417 11.900 187 HE22 GLN 23 2HE2 GLN 23 -17.328 -15.608 10.682 188 H GLY 24 H GLY 24 -14.682 -13.775 14.661 189 HA2 GLY 24 2HA GLY 24 -14.329 -14.847 16.612 190 HA3 GLY 24 3HA GLY 24 -12.655 -15.074 16.139 191 H ALA 25 H ALA 25 -11.501 -12.651 16.258 192 HA ALA 25 HA ALA 25 -11.019 -12.202 18.985 193 HB1 ALA 25 1HB ALA 25 -9.533 -11.551 17.018 194 HB2 ALA 25 2HB ALA 25 -10.598 -10.151 16.774 195 HB3 ALA 25 3HB ALA 25 -9.687 -10.318 18.285 196 H GLY 26 H GLY 26 -11.404 -10.155 20.259 197 HA2 GLY 26 2HA GLY 26 -14.216 -9.479 20.185 198 HA3 GLY 26 3HA GLY 26 -12.987 -8.815 21.280 199 H GLY 27 H GLY 27 -15.081 -8.041 18.834 200 HA2 GLY 27 2HA GLY 27 -13.954 -5.426 18.411 201 HA3 GLY 27 3HA GLY 27 -13.990 -6.433 16.945 202 H GLN 28 H GLN 28 -15.488 -4.080 17.131 203 HA GLN 28 HA GLN 28 -18.143 -4.407 18.072 204 HB2 GLN 28 2HB GLN 28 -17.102 -2.233 17.524 205 HB3 GLN 28 3HB GLN 28 -17.078 -2.656 15.805 206 HG2 GLN 28 2HG GLN 28 -19.519 -2.708 15.735 207 HG3 GLN 28 3HG GLN 28 -19.605 -2.507 17.496 208 HE21 GLN 28 1HE2 GLN 28 -20.790 -0.548 17.524 209 HE22 GLN 28 2HE2 GLN 28 -20.144 0.922 16.817 210 H HIS 29 H HIS 29 -19.733 -5.760 17.352 211 HA HIS 29 HA HIS 29 -20.947 -7.176 16.127 212 HB2 HIS 29 2HB HIS 29 -20.319 -5.154 14.004 213 HB3 HIS 29 3HB HIS 29 -21.456 -6.474 13.775 214 HD1 HIS 29 1HD HIS 29 -23.786 -5.353 13.802 215 HD2 HIS 29 2HD HIS 29 -21.199 -4.063 16.866 216 HE1 HIS 29 1HE HIS 29 -25.111 -3.715 15.247 217 H VAL 30 H VAL 30 -17.831 -7.561 15.999 218 HA VAL 30 HA VAL 30 -16.994 -8.794 13.753 219 HB VAL 30 HB VAL 30 -15.687 -8.364 15.778 220 HG11 VAL 30 1HG1 VAL 30 -16.807 -10.897 17.031 221 HG12 VAL 30 2HG1 VAL 30 -15.776 -9.665 17.761 222 HG13 VAL 30 3HG1 VAL 30 -17.456 -9.289 17.397 223 HG21 VAL 30 3HG2 VAL 30 -15.477 -11.323 15.113 224 HG22 VAL 30 1HG2 VAL 30 -14.937 -10.036 14.009 225 HG23 VAL 30 2HG2 VAL 30 -14.177 -10.213 15.591 226 H ASN 31 H ASN 31 -19.173 -10.352 16.153 227 HA ASN 31 HA ASN 31 -18.996 -12.991 15.093 228 HB2 ASN 31 2HB ASN 31 -20.037 -12.593 17.245 229 HB3 ASN 31 3HB ASN 31 -21.267 -11.547 16.512 230 HD21 ASN 31 1HD2 ASN 31 -19.959 -14.891 16.384 231 HD22 ASN 31 2HD2 ASN 31 -21.473 -15.656 15.969 232 H LYS 32 H LYS 32 -21.042 -10.231 14.274 233 HA LYS 32 HA LYS 32 -22.596 -11.660 12.329 234 HB2 LYS 32 2HB LYS 32 -22.697 -9.087 13.632 235 HB3 LYS 32 3HB LYS 32 -22.697 -8.773 11.912 236 HG2 LYS 32 2HG LYS 32 -24.622 -10.694 13.288 237 HG3 LYS 32 3HG LYS 32 -24.915 -8.984 13.023 238 HD2 LYS 32 2HD LYS 32 -26.103 -10.118 11.324 239 HD3 LYS 32 3HD LYS 32 -24.747 -9.292 10.572 240 HE2 LYS 32 2HE LYS 32 -25.068 -11.514 9.582 241 HE3 LYS 32 3HE LYS 32 -23.508 -11.390 10.382 242 HZ1 LYS 32 3HZ LYS 32 -25.845 -12.929 11.265 243 HZ2 LYS 32 1HZ LYS 32 -24.671 -12.481 12.340 244 HZ3 LYS 32 2HZ LYS 32 -24.262 -13.390 11.062 245 H THR 33 H THR 33 -20.097 -9.019 12.048 246 HA THR 33 HA THR 33 -18.743 -10.262 9.892 247 HB THR 33 HB THR 33 -20.833 -9.673 8.657 248 HG1 THR 33 1HG THR 33 -19.861 -8.221 7.111 249 HG21 THR 33 3HG2 THR 33 -21.605 -7.766 10.025 250 HG22 THR 33 1HG2 THR 33 -21.517 -7.357 8.316 251 HG23 THR 33 2HG2 THR 33 -20.258 -6.788 9.421 252 H SER 34 H SER 34 -17.173 -8.607 8.934 253 HA SER 34 HA SER 34 -16.561 -6.244 10.556 254 HB2 SER 34 2HB SER 34 -14.424 -8.295 9.945 255 HB3 SER 34 3HB SER 34 -14.316 -6.875 10.986 256 HG SER 34 HG SER 34 -14.934 -9.377 11.591 257 H THR 35 H THR 35 -14.875 -4.922 9.307 258 HA THR 35 HA THR 35 -14.628 -5.668 6.438 259 HB THR 35 HB THR 35 -15.545 -2.986 7.527 260 HG1 THR 35 1HG THR 35 -17.215 -4.509 7.778 261 HG21 THR 35 3HG2 THR 35 -15.524 -4.156 4.716 262 HG22 THR 35 1HG2 THR 35 -14.452 -2.868 5.350 263 HG23 THR 35 2HG2 THR 35 -16.192 -2.576 5.187 264 H ALA 36 H ALA 36 -12.419 -5.524 5.956 265 HA ALA 36 HA ALA 36 -10.971 -3.212 7.001 266 HB1 ALA 36 1HB ALA 36 -10.680 -4.933 8.732 267 HB2 ALA 36 2HB ALA 36 -10.223 -6.130 7.537 268 HB3 ALA 36 3HB ALA 36 -9.151 -4.735 7.836 269 H ILE 37 H ILE 37 -8.665 -3.266 6.078 270 HA ILE 37 HA ILE 37 -8.688 -4.371 3.330 271 HB ILE 37 HB ILE 37 -8.245 -1.498 4.187 272 HG12 ILE 37 2HG1 ILE 37 -10.525 -2.044 3.292 273 HG13 ILE 37 3HG1 ILE 37 -9.639 -0.909 2.302 274 HG21 ILE 37 1HG2 ILE 37 -6.243 -1.839 2.995 275 HG22 ILE 37 2HG2 ILE 37 -7.037 -2.876 1.783 276 HG23 ILE 37 3HG2 ILE 37 -7.348 -1.154 1.801 277 HD11 ILE 37 3HD1 ILE 37 -10.747 -2.385 0.842 278 HD12 ILE 37 1HD1 ILE 37 -9.046 -2.846 0.744 279 HD13 ILE 37 2HD1 ILE 37 -10.179 -3.817 1.717 280 H HIS 38 H HIS 38 -6.769 -4.974 2.620 281 HA HIS 38 HA HIS 38 -4.478 -5.122 4.493 282 HB2 HIS 38 2HB HIS 38 -5.648 -7.285 3.928 283 HB3 HIS 38 3HB HIS 38 -5.353 -6.976 2.229 284 HD1 HIS 38 1HD HIS 38 -2.808 -7.536 1.365 285 HD2 HIS 38 2HD HIS 38 -3.609 -8.140 5.464 286 HE1 HIS 38 1HE HIS 38 -0.865 -8.889 2.369 287 H LEU 39 H LEU 39 -2.503 -4.366 3.508 288 HA LEU 39 HA LEU 39 -2.634 -3.433 0.672 289 HB2 LEU 39 2HB LEU 39 -3.167 -1.507 1.934 290 HB3 LEU 39 3HB LEU 39 -1.941 -1.815 3.146 291 HG LEU 39 HG LEU 39 -1.132 -1.261 0.266 292 HD11 LEU 39 1HD1 LEU 39 -2.677 0.557 0.981 293 HD12 LEU 39 2HD1 LEU 39 -1.024 1.127 0.802 294 HD13 LEU 39 3HD1 LEU 39 -1.659 0.827 2.423 295 HD21 LEU 39 3HD2 LEU 39 0.795 -0.085 1.584 296 HD22 LEU 39 1HD2 LEU 39 0.803 -1.847 1.590 297 HD23 LEU 39 2HD2 LEU 39 0.207 -0.944 2.996 298 H ARG 40 H ARG 40 -1.049 -4.550 -0.344 299 HA ARG 40 HA ARG 40 1.363 -5.363 1.167 300 HB2 ARG 40 2HB ARG 40 -0.249 -7.150 0.257 301 HB3 ARG 40 3HB ARG 40 0.046 -6.530 -1.330 302 HG2 ARG 40 2HG ARG 40 2.100 -7.455 -1.543 303 HG3 ARG 40 3HG ARG 40 2.537 -7.135 0.128 304 HD2 ARG 40 2HD ARG 40 2.390 -9.529 -0.123 305 HD3 ARG 40 3HD ARG 40 1.019 -8.971 0.867 306 HE ARG 40 HE ARG 40 -0.226 -8.968 -1.415 307 HH11 ARG 40 1HH1 ARG 40 2.260 -11.487 -0.762 308 HH12 ARG 40 2HH1 ARG 40 1.433 -12.660 -1.685 309 HH21 ARG 40 1HH2 ARG 40 -1.082 -10.337 -2.718 310 HH22 ARG 40 2HH2 ARG 40 -0.440 -11.929 -3.050 311 H PHE 41 H PHE 41 3.085 -4.099 0.612 312 HA PHE 41 HA PHE 41 3.168 -2.866 -2.133 313 HB2 PHE 41 2HB PHE 41 2.972 -1.129 -0.568 314 HB3 PHE 41 3HB PHE 41 4.131 -1.848 0.536 315 HD1 PHE 41 2HD PHE 41 3.993 -0.872 -3.122 316 HD2 PHE 41 1HD PHE 41 6.315 -1.030 0.501 317 HE1 PHE 41 2HE PHE 41 5.833 0.347 -4.248 318 HE2 PHE 41 1HE PHE 41 8.193 0.110 -0.649 319 HZ PHE 41 HZ PHE 41 7.944 0.827 -3.010 320 H ASP 42 H ASP 42 4.504 -4.108 -3.320 321 HA ASP 42 HA ASP 42 6.686 -5.712 -2.169 322 HB2 ASP 42 2HB ASP 42 5.490 -5.349 -4.944 323 HB3 ASP 42 3HB ASP 42 7.004 -6.225 -4.684 324 H ILE 43 H ILE 43 8.433 -4.451 -1.606 325 HA ILE 43 HA ILE 43 9.177 -1.981 -2.747 326 HB ILE 43 HB ILE 43 10.765 -4.152 -1.333 327 HG12 ILE 43 2HG1 ILE 43 10.248 -1.427 -0.127 328 HG13 ILE 43 3HG1 ILE 43 8.867 -2.532 -0.231 329 HG21 ILE 43 1HG2 ILE 43 11.699 -1.360 -2.059 330 HG22 ILE 43 2HG2 ILE 43 12.526 -2.436 -0.901 331 HG23 ILE 43 3HG2 ILE 43 12.413 -2.895 -2.600 332 HD11 ILE 43 3HD1 ILE 43 11.527 -3.324 1.029 333 HD12 ILE 43 1HD1 ILE 43 10.088 -2.786 1.924 334 HD13 ILE 43 2HD1 ILE 43 10.016 -4.254 0.988 335 H ARG 44 H ARG 44 10.205 -5.307 -3.651 336 HA ARG 44 HA ARG 44 12.089 -4.389 -5.673 337 HB2 ARG 44 2HB ARG 44 10.706 -7.085 -5.239 338 HB3 ARG 44 3HB ARG 44 11.912 -6.820 -6.476 339 HG2 ARG 44 2HG ARG 44 12.402 -6.506 -3.485 340 HG3 ARG 44 3HG ARG 44 12.881 -7.887 -4.472 341 HD2 ARG 44 2HD ARG 44 13.857 -5.028 -4.813 342 HD3 ARG 44 3HD ARG 44 14.772 -6.355 -4.075 343 HE ARG 44 HE ARG 44 14.128 -7.312 -6.594 344 HH11 ARG 44 1HH1 ARG 44 16.169 -4.563 -5.400 345 HH12 ARG 44 2HH1 ARG 44 16.860 -4.384 -6.970 346 HH21 ARG 44 1HH2 ARG 44 15.190 -7.022 -8.534 347 HH22 ARG 44 2HH2 ARG 44 16.323 -5.705 -8.734 348 H ALA 45 H ALA 45 8.695 -4.380 -5.754 349 HA ALA 45 HA ALA 45 8.679 -4.473 -8.746 350 HB1 ALA 45 1HB ALA 45 7.111 -6.002 -7.487 351 HB2 ALA 45 2HB ALA 45 6.303 -4.537 -6.865 352 HB3 ALA 45 3HB ALA 45 6.320 -4.870 -8.600 353 H SER 46 H SER 46 9.249 -2.204 -6.468 354 HA SER 46 HA SER 46 7.389 -0.177 -7.556 355 HB2 SER 46 2HB SER 46 7.941 1.077 -5.612 356 HB3 SER 46 3HB SER 46 7.706 -0.600 -5.087 357 HG SER 46 HG SER 46 9.913 -0.878 -4.978 358 H SER 47 H SER 47 8.195 1.981 -7.963 359 HA SER 47 HA SER 47 10.725 1.938 -9.468 360 HB2 SER 47 2HB SER 47 8.385 2.875 -10.205 361 HB3 SER 47 3HB SER 47 8.866 4.301 -9.264 362 HG SER 47 HG SER 47 10.554 4.628 -10.638 363 H LEU 48 H LEU 48 10.401 1.979 -6.377 364 HA LEU 48 HA LEU 48 11.243 4.484 -5.341 365 HB2 LEU 48 2HB LEU 48 11.727 1.593 -4.499 366 HB3 LEU 48 3HB LEU 48 12.437 2.904 -3.600 367 HG LEU 48 HG LEU 48 9.448 2.447 -3.892 368 HD11 LEU 48 1HD1 LEU 48 9.742 1.928 -1.423 369 HD12 LEU 48 2HD1 LEU 48 11.487 2.031 -1.645 370 HD13 LEU 48 3HD1 LEU 48 10.550 0.779 -2.491 371 HD21 LEU 48 3HD2 LEU 48 9.838 4.809 -3.676 372 HD22 LEU 48 1HD2 LEU 48 11.031 4.562 -2.364 373 HD23 LEU 48 2HD2 LEU 48 9.317 4.202 -2.107 374 HA PRO 49 HA PRO 49 15.459 4.617 -6.704 375 HB2 PRO 49 2HB PRO 49 16.721 5.837 -4.569 376 HB3 PRO 49 3HB PRO 49 15.662 6.722 -5.710 377 HG2 PRO 49 2HG PRO 49 14.974 5.630 -3.012 378 HG3 PRO 49 3HG PRO 49 14.586 7.247 -3.685 379 HD2 PRO 49 2HD PRO 49 12.765 5.240 -3.692 380 HD3 PRO 49 3HD PRO 49 12.889 6.337 -5.091 381 H GLU 50 H GLU 50 17.262 3.205 -6.448 382 HA GLU 50 HA GLU 50 16.947 0.826 -5.073 383 HB2 GLU 50 2HB GLU 50 19.353 0.445 -5.464 384 HB3 GLU 50 3HB GLU 50 18.458 1.018 -6.882 385 HG2 GLU 50 2HG GLU 50 19.353 3.352 -6.379 386 HG3 GLU 50 3HG GLU 50 20.340 2.633 -5.105 387 H TYR 51 H TYR 51 18.529 3.786 -3.819 388 HA TYR 51 HA TYR 51 19.584 2.696 -1.450 389 HB2 TYR 51 2HB TYR 51 20.022 4.989 -2.284 390 HB3 TYR 51 3HB TYR 51 18.361 5.446 -1.904 391 HD1 TYR 51 1HD TYR 51 21.573 4.264 -0.406 392 HD2 TYR 51 2HD TYR 51 17.752 6.095 0.379 393 HE1 TYR 51 1HE TYR 51 22.314 4.859 1.875 394 HE2 TYR 51 2HE TYR 51 18.411 6.548 2.696 395 HH TYR 51 HH TYR 51 20.094 6.187 4.302 396 H TYR 52 H TYR 52 16.223 3.779 -2.153 397 HA TYR 52 HA TYR 52 15.371 3.349 0.628 398 HB2 TYR 52 2HB TYR 52 13.837 3.972 -1.905 399 HB3 TYR 52 3HB TYR 52 13.037 3.373 -0.469 400 HD1 TYR 52 2HD TYR 52 15.855 5.907 -0.925 401 HD2 TYR 52 1HD TYR 52 11.856 5.131 0.521 402 HE1 TYR 52 2HE TYR 52 15.884 8.046 0.258 403 HE2 TYR 52 1HE TYR 52 11.872 7.329 1.662 404 HH TYR 52 HH TYR 52 14.806 9.380 1.820 405 H LYS 53 H LYS 53 15.392 1.494 -2.463 406 HA LYS 53 HA LYS 53 13.790 -0.616 -1.442 407 HB2 LYS 53 2HB LYS 53 16.044 -0.808 -3.502 408 HB3 LYS 53 3HB LYS 53 14.897 -2.086 -3.111 409 HG2 LYS 53 2HG LYS 53 13.015 -0.503 -3.741 410 HG3 LYS 53 3HG LYS 53 14.242 0.626 -4.326 411 HD2 LYS 53 2HD LYS 53 15.035 -1.072 -5.947 412 HD3 LYS 53 3HD LYS 53 13.835 -2.229 -5.349 413 HE2 LYS 53 2HE LYS 53 12.008 -0.970 -6.138 414 HE3 LYS 53 3HE LYS 53 12.948 0.519 -6.257 415 HZ1 LYS 53 3HZ LYS 53 13.406 -1.814 -7.985 416 HZ2 LYS 53 1HZ LYS 53 14.045 -0.290 -8.155 417 HZ3 LYS 53 2HZ LYS 53 12.411 -0.562 -8.363 418 H GLU 54 H GLU 54 17.382 -0.248 -1.404 419 HA GLU 54 HA GLU 54 17.866 -2.566 0.117 420 HB2 GLU 54 2HB GLU 54 19.471 0.001 0.261 421 HB3 GLU 54 3HB GLU 54 20.002 -1.611 0.680 422 HG2 GLU 54 2HG GLU 54 19.269 -2.146 -1.827 423 HG3 GLU 54 3HG GLU 54 19.680 -0.443 -2.034 424 H ARG 55 H ARG 55 17.044 0.745 1.289 425 HA ARG 55 HA ARG 55 17.502 0.153 4.074 426 HB2 ARG 55 2HB ARG 55 16.330 2.381 2.508 427 HB3 ARG 55 3HB ARG 55 15.432 2.068 3.982 428 HG2 ARG 55 2HG ARG 55 17.113 3.777 4.374 429 HG3 ARG 55 3HG ARG 55 17.405 2.328 5.357 430 HD2 ARG 55 2HD ARG 55 18.914 1.766 3.231 431 HD3 ARG 55 3HD ARG 55 18.972 3.518 3.077 432 HE ARG 55 HE ARG 55 19.494 2.784 5.788 433 HH11 ARG 55 1HH1 ARG 55 21.215 2.304 2.656 434 HH12 ARG 55 2HH1 ARG 55 22.719 2.121 3.487 435 HH21 ARG 55 1HH2 ARG 55 21.428 2.520 6.690 436 HH22 ARG 55 2HH2 ARG 55 22.912 2.402 5.783 437 H LEU 56 H LEU 56 14.470 0.225 2.173 438 HA LEU 56 HA LEU 56 12.874 -0.769 4.334 439 HB2 LEU 56 2HB LEU 56 12.310 -0.923 1.355 440 HB3 LEU 56 3HB LEU 56 11.147 -1.071 2.683 441 HG LEU 56 HG LEU 56 12.665 1.466 1.966 442 HD11 LEU 56 1HD1 LEU 56 10.929 0.792 0.357 443 HD12 LEU 56 2HD1 LEU 56 10.543 2.306 1.188 444 HD13 LEU 56 3HD1 LEU 56 9.721 0.801 1.658 445 HD21 LEU 56 3HD2 LEU 56 12.308 1.462 4.320 446 HD22 LEU 56 1HD2 LEU 56 10.582 1.041 4.106 447 HD23 LEU 56 2HD2 LEU 56 11.223 2.607 3.531 448 H LEU 57 H LEU 57 14.857 -2.454 1.911 449 HA LEU 57 HA LEU 57 13.685 -5.081 2.422 450 HB2 LEU 57 2HB LEU 57 16.199 -4.052 1.059 451 HB3 LEU 57 3HB LEU 57 16.066 -5.752 1.431 452 HG LEU 57 HG LEU 57 13.783 -4.451 -0.053 453 HD11 LEU 57 1HD1 LEU 57 15.903 -3.851 -1.290 454 HD12 LEU 57 2HD1 LEU 57 14.828 -4.925 -2.193 455 HD13 LEU 57 3HD1 LEU 57 16.277 -5.571 -1.387 456 HD21 LEU 57 3HD2 LEU 57 13.459 -6.694 -0.915 457 HD22 LEU 57 1HD2 LEU 57 13.755 -6.869 0.837 458 HD23 LEU 57 2HD2 LEU 57 15.036 -7.220 -0.318 459 H ALA 58 H ALA 58 16.276 -3.068 3.789 460 HA ALA 58 HA ALA 58 17.327 -5.179 5.514 461 HB1 ALA 58 1HB ALA 58 18.035 -2.226 5.206 462 HB2 ALA 58 2HB ALA 58 18.932 -3.436 6.155 463 HB3 ALA 58 3HB ALA 58 18.825 -3.597 4.404 464 H ALA 59 H ALA 59 14.614 -3.317 5.668 465 HA ALA 59 HA ALA 59 14.623 -2.191 8.258 466 HB1 ALA 59 1HB ALA 59 12.120 -2.375 7.938 467 HB2 ALA 59 2HB ALA 59 12.973 -1.689 6.523 468 HB3 ALA 59 3HB ALA 59 12.412 -3.381 6.526 469 H SER 60 H SER 60 13.522 -2.965 10.173 470 HA SER 60 HA SER 60 13.157 -5.911 10.469 471 HB2 SER 60 2HB SER 60 15.407 -5.290 11.284 472 HB3 SER 60 3HB SER 60 14.714 -4.042 12.321 473 HG SER 60 HG SER 60 13.859 -5.581 13.611 474 H HIS 61 H HIS 61 10.953 -5.368 10.109 475 HA HIS 61 HA HIS 61 9.667 -3.813 12.307 476 HB2 HIS 61 2HB HIS 61 9.769 -2.742 9.824 477 HB3 HIS 61 3HB HIS 61 8.517 -3.879 9.520 478 HD1 HIS 61 1HD HIS 61 6.500 -3.619 11.862 479 HD2 HIS 61 2HD HIS 61 8.728 -0.392 10.312 480 HE1 HIS 61 1HE HIS 61 5.193 -1.540 12.386 481 H HIS 62 H HIS 62 7.961 -4.889 13.176 482 HA HIS 62 HA HIS 62 7.418 -7.605 12.606 483 HB2 HIS 62 2HB HIS 62 5.644 -7.350 14.250 484 HB3 HIS 62 3HB HIS 62 7.051 -6.442 14.785 485 HD1 HIS 62 1HD HIS 62 6.760 -3.636 14.617 486 HD2 HIS 62 2HD HIS 62 3.383 -6.101 13.920 487 HE1 HIS 62 1HE HIS 62 4.711 -2.158 14.849 488 H LEU 63 H LEU 63 6.725 -5.299 10.494 489 HA LEU 63 HA LEU 63 4.178 -6.481 9.539 490 HB2 LEU 63 2HB LEU 63 5.086 -3.623 9.149 491 HB3 LEU 63 3HB LEU 63 3.559 -4.361 8.649 492 HG LEU 63 HG LEU 63 4.302 -3.833 11.517 493 HD11 LEU 63 1HD1 LEU 63 3.912 -1.763 10.170 494 HD12 LEU 63 2HD1 LEU 63 2.649 -2.038 11.379 495 HD13 LEU 63 3HD1 LEU 63 2.344 -2.405 9.658 496 HD21 LEU 63 3HD2 LEU 63 1.870 -4.294 11.873 497 HD22 LEU 63 1HD2 LEU 63 2.793 -5.696 11.341 498 HD23 LEU 63 2HD2 LEU 63 1.758 -4.851 10.174 499 H ILE 64 H ILE 64 7.604 -6.217 8.788 500 HA ILE 64 HA ILE 64 6.937 -6.583 5.903 501 HB ILE 64 HB ILE 64 9.517 -5.454 7.033 502 HG12 ILE 64 2HG1 ILE 64 7.264 -3.799 5.849 503 HG13 ILE 64 3HG1 ILE 64 7.579 -3.885 7.555 504 HG21 ILE 64 1HG2 ILE 64 9.923 -4.722 4.697 505 HG22 ILE 64 2HG2 ILE 64 9.628 -6.429 4.723 506 HG23 ILE 64 3HG2 ILE 64 8.332 -5.349 4.213 507 HD11 ILE 64 3HD1 ILE 64 9.581 -2.809 5.546 508 HD12 ILE 64 1HD1 ILE 64 8.551 -1.898 6.629 509 HD13 ILE 64 2HD1 ILE 64 9.795 -2.975 7.308 510 H SER 65 H SER 65 8.249 -8.150 4.794 511 HA SER 65 HA SER 65 9.302 -10.314 6.519 512 HB2 SER 65 2HB SER 65 9.075 -11.595 4.361 513 HB3 SER 65 3HB SER 65 7.546 -10.913 4.936 514 HG SER 65 HG SER 65 8.006 -10.610 2.659 515 H SER 66 H SER 66 11.269 -11.482 5.590 516 HA SER 66 HA SER 66 13.472 -9.704 5.193 517 HB2 SER 66 2HB SER 66 12.981 -12.494 5.733 518 HB3 SER 66 3HB SER 66 14.030 -12.414 4.314 519 HG SER 66 HG SER 66 14.757 -12.328 6.720 520 H ASP 67 H ASP 67 11.177 -11.185 3.072 521 HA ASP 67 HA ASP 67 12.646 -11.125 0.578 522 HB2 ASP 67 2HB ASP 67 9.641 -11.241 1.108 523 HB3 ASP 67 3HB ASP 67 10.438 -11.547 -0.438 524 H GLY 68 H GLY 68 11.275 -8.659 2.499 525 HA2 GLY 68 2HA GLY 68 11.113 -6.403 2.103 526 HA3 GLY 68 3HA GLY 68 11.641 -6.660 0.436 527 H VAL 69 H VAL 69 8.709 -7.740 2.307 528 HA VAL 69 HA VAL 69 7.078 -6.364 0.237 529 HB VAL 69 HB VAL 69 6.536 -9.117 1.435 530 HG11 VAL 69 1HG1 VAL 69 4.606 -9.091 -0.116 531 HG12 VAL 69 2HG1 VAL 69 4.493 -7.798 1.081 532 HG13 VAL 69 3HG1 VAL 69 4.986 -7.425 -0.588 533 HG21 VAL 69 3HG2 VAL 69 8.274 -9.266 -0.320 534 HG22 VAL 69 1HG2 VAL 69 6.746 -9.912 -0.917 535 HG23 VAL 69 2HG2 VAL 69 7.265 -8.293 -1.418 536 H ILE 70 H ILE 70 6.201 -4.719 1.312 537 HA ILE 70 HA ILE 70 6.007 -4.706 4.255 538 HB ILE 70 HB ILE 70 5.420 -2.566 2.151 539 HG12 ILE 70 2HG1 ILE 70 7.952 -3.181 3.684 540 HG13 ILE 70 3HG1 ILE 70 7.724 -2.962 1.956 541 HG21 ILE 70 1HG2 ILE 70 5.827 -2.240 5.132 542 HG22 ILE 70 2HG2 ILE 70 5.459 -0.968 3.999 543 HG23 ILE 70 3HG2 ILE 70 4.245 -2.190 4.307 544 HD11 ILE 70 3HD1 ILE 70 7.735 -0.799 4.109 545 HD12 ILE 70 1HD1 ILE 70 8.913 -1.059 2.831 546 HD13 ILE 70 2HD1 ILE 70 7.291 -0.495 2.417 547 H VAL 71 H VAL 71 4.082 -5.520 5.174 548 HA VAL 71 HA VAL 71 1.633 -5.151 3.553 549 HB VAL 71 HB VAL 71 0.711 -7.179 4.205 550 HG11 VAL 71 1HG1 VAL 71 2.070 -8.732 3.045 551 HG12 VAL 71 2HG1 VAL 71 2.262 -7.136 2.302 552 HG13 VAL 71 3HG1 VAL 71 3.549 -7.784 3.348 553 HG21 VAL 71 3HG2 VAL 71 1.493 -7.465 6.466 554 HG22 VAL 71 1HG2 VAL 71 1.993 -8.867 5.508 555 HG23 VAL 71 2HG2 VAL 71 3.187 -7.616 5.909 556 H ILE 72 H ILE 72 -0.082 -4.288 4.488 557 HA ILE 72 HA ILE 72 0.005 -3.583 7.411 558 HB ILE 72 HB ILE 72 -0.766 -1.822 5.060 559 HG12 ILE 72 2HG1 ILE 72 1.628 -1.711 6.954 560 HG13 ILE 72 3HG1 ILE 72 1.658 -2.091 5.231 561 HG21 ILE 72 1HG2 ILE 72 -1.090 0.013 6.643 562 HG22 ILE 72 2HG2 ILE 72 -2.198 -1.278 7.002 563 HG23 ILE 72 3HG2 ILE 72 -0.740 -1.070 8.011 564 HD11 ILE 72 3HD1 ILE 72 2.384 0.068 5.251 565 HD12 ILE 72 1HD1 ILE 72 0.670 0.262 4.853 566 HD13 ILE 72 2HD1 ILE 72 1.233 0.583 6.505 567 H LYS 73 H LYS 73 -2.140 -3.328 8.375 568 HA LYS 73 HA LYS 73 -4.418 -4.424 6.827 569 HB2 LYS 73 2HB LYS 73 -3.758 -5.296 9.686 570 HB3 LYS 73 3HB LYS 73 -5.105 -5.804 8.663 571 HG2 LYS 73 2HG LYS 73 -3.399 -6.664 7.006 572 HG3 LYS 73 3HG LYS 73 -2.156 -6.361 8.242 573 HD2 LYS 73 2HD LYS 73 -3.230 -7.922 9.759 574 HD3 LYS 73 3HD LYS 73 -4.495 -8.283 8.529 575 HE2 LYS 73 2HE LYS 73 -2.933 -9.308 7.068 576 HE3 LYS 73 3HE LYS 73 -1.552 -8.583 7.875 577 HZ1 LYS 73 3HZ LYS 73 -2.133 -11.029 8.309 578 HZ2 LYS 73 1HZ LYS 73 -3.255 -10.449 9.357 579 HZ3 LYS 73 2HZ LYS 73 -1.682 -10.094 9.603 580 H ALA 74 H ALA 74 -5.384 -2.450 6.664 581 HA ALA 74 HA ALA 74 -5.492 -0.629 9.005 582 HB1 ALA 74 1HB ALA 74 -6.340 -0.373 6.103 583 HB2 ALA 74 2HB ALA 74 -6.566 0.908 7.305 584 HB3 ALA 74 3HB ALA 74 -4.932 0.382 6.891 585 H GLN 75 H GLN 75 -7.137 -0.698 10.377 586 HA GLN 75 HA GLN 75 -9.847 -1.106 9.487 587 HB2 GLN 75 2HB GLN 75 -10.176 -2.991 11.235 588 HB3 GLN 75 3HB GLN 75 -9.555 -3.336 9.635 589 HG2 GLN 75 2HG GLN 75 -7.189 -3.379 10.633 590 HG3 GLN 75 3HG GLN 75 -7.967 -3.349 12.210 591 HE21 GLN 75 1HE2 GLN 75 -6.709 -5.375 9.876 592 HE22 GLN 75 2HE2 GLN 75 -7.635 -6.830 10.213 593 H GLU 76 H GLU 76 -10.672 0.510 10.349 594 HA GLU 76 HA GLU 76 -10.798 1.048 13.202 595 HB2 GLU 76 2HB GLU 76 -9.568 3.128 11.324 596 HB3 GLU 76 3HB GLU 76 -10.073 3.399 12.991 597 HG2 GLU 76 2HG GLU 76 -8.397 1.644 13.722 598 HG3 GLU 76 3HG GLU 76 -7.821 1.595 12.039 599 H TYR 77 H TYR 77 -11.689 1.799 9.815 600 HA TYR 77 HA TYR 77 -14.031 3.399 10.607 601 HB2 TYR 77 2HB TYR 77 -12.956 2.586 7.884 602 HB3 TYR 77 3HB TYR 77 -14.264 3.704 8.165 603 HD1 TYR 77 1HD TYR 77 -10.579 3.207 8.808 604 HD2 TYR 77 2HD TYR 77 -13.828 6.007 8.321 605 HE1 TYR 77 1HE TYR 77 -8.987 5.082 8.858 606 HE2 TYR 77 2HE TYR 77 -12.229 7.853 8.170 607 HH TYR 77 HH TYR 77 -9.886 8.490 8.279 608 H ARG 78 H ARG 78 -16.097 2.831 9.244 609 HA ARG 78 HA ARG 78 -16.657 -0.085 9.569 610 HB2 ARG 78 2HB ARG 78 -18.564 2.270 9.347 611 HB3 ARG 78 3HB ARG 78 -19.003 0.605 9.713 612 HG2 ARG 78 2HG ARG 78 -17.454 2.524 11.475 613 HG3 ARG 78 3HG ARG 78 -19.078 1.908 11.712 614 HD2 ARG 78 2HD ARG 78 -16.475 0.332 11.897 615 HD3 ARG 78 3HD ARG 78 -17.516 0.809 13.232 616 HE ARG 78 HE ARG 78 -17.730 -1.535 11.624 617 HH11 ARG 78 1HH1 ARG 78 -19.818 0.796 13.412 618 HH12 ARG 78 2HH1 ARG 78 -20.983 -0.448 13.765 619 HH21 ARG 78 1HH2 ARG 78 -19.360 -3.104 12.208 620 HH22 ARG 78 2HH2 ARG 78 -20.731 -2.528 13.135 621 H SER 79 H SER 79 -15.662 1.731 6.990 622 HA SER 79 HA SER 79 -17.224 0.094 5.093 623 HB2 SER 79 2HB SER 79 -17.122 3.070 5.357 624 HB3 SER 79 3HB SER 79 -17.024 2.441 3.728 625 HG SER 79 HG SER 79 -19.104 2.870 4.340 626 H GLN 80 H GLN 80 -15.909 -0.969 3.860 627 HA GLN 80 HA GLN 80 -13.160 -1.052 4.000 628 HB2 GLN 80 2HB GLN 80 -15.204 -2.549 2.905 629 HB3 GLN 80 3HB GLN 80 -14.467 -1.954 1.442 630 HG2 GLN 80 2HG GLN 80 -12.441 -3.028 1.921 631 HG3 GLN 80 3HG GLN 80 -12.776 -3.133 3.655 632 HE21 GLN 80 1HE2 GLN 80 -12.590 -5.367 3.934 633 HE22 GLN 80 2HE2 GLN 80 -13.815 -6.471 3.309 634 H GLU 81 H GLU 81 -14.770 1.455 2.474 635 HA GLU 81 HA GLU 81 -12.868 1.838 0.247 636 HB2 GLU 81 2HB GLU 81 -15.408 2.073 0.116 637 HB3 GLU 81 3HB GLU 81 -15.229 3.577 1.038 638 HG2 GLU 81 2HG GLU 81 -13.724 4.411 -0.795 639 HG3 GLU 81 3HG GLU 81 -13.976 2.877 -1.645 640 H LEU 82 H LEU 82 -13.348 2.689 3.518 641 HA LEU 82 HA LEU 82 -11.616 5.098 3.370 642 HB2 LEU 82 2HB LEU 82 -13.159 3.965 5.724 643 HB3 LEU 82 3HB LEU 82 -12.220 5.445 5.682 644 HG LEU 82 HG LEU 82 -14.435 6.093 5.548 645 HD11 LEU 82 1HD1 LEU 82 -14.667 7.274 3.432 646 HD12 LEU 82 2HD1 LEU 82 -13.568 6.146 2.642 647 HD13 LEU 82 3HD1 LEU 82 -12.954 7.251 3.891 648 HD21 LEU 82 3HD2 LEU 82 -16.161 5.342 4.182 649 HD22 LEU 82 1HD2 LEU 82 -15.373 3.994 5.033 650 HD23 LEU 82 2HD2 LEU 82 -15.095 4.248 3.287 651 H ASN 83 H ASN 83 -11.795 1.726 4.570 652 HA ASN 83 HA ASN 83 -9.526 1.874 6.245 653 HB2 ASN 83 2HB ASN 83 -10.701 -0.458 4.709 654 HB3 ASN 83 3HB ASN 83 -9.473 -0.599 5.974 655 HD21 ASN 83 1HD2 ASN 83 -10.705 -1.632 7.724 656 HD22 ASN 83 2HD2 ASN 83 -12.241 -1.049 8.230 657 H ARG 84 H ARG 84 -9.811 1.639 2.729 658 HA ARG 84 HA ARG 84 -7.059 0.837 2.252 659 HB2 ARG 84 2HB ARG 84 -7.514 1.771 -0.067 660 HB3 ARG 84 3HB ARG 84 -8.408 0.345 0.437 661 HG2 ARG 84 2HG ARG 84 -10.419 1.450 0.698 662 HG3 ARG 84 3HG ARG 84 -9.697 3.046 0.868 663 HD2 ARG 84 2HD ARG 84 -9.493 1.431 -1.664 664 HD3 ARG 84 3HD ARG 84 -10.858 2.509 -1.293 665 HE ARG 84 HE ARG 84 -7.977 3.432 -1.434 666 HH11 ARG 84 1HH1 ARG 84 -11.314 3.911 -2.598 667 HH12 ARG 84 2HH1 ARG 84 -11.166 5.639 -2.671 668 HH21 ARG 84 1HH2 ARG 84 -7.679 5.679 -2.042 669 HH22 ARG 84 2HH2 ARG 84 -8.995 6.479 -2.808 670 H GLU 85 H GLU 85 -8.695 4.082 2.138 671 HA GLU 85 HA GLU 85 -6.214 5.371 1.622 672 HB2 GLU 85 2HB GLU 85 -7.368 7.470 2.260 673 HB3 GLU 85 3HB GLU 85 -8.211 6.535 1.009 674 HG2 GLU 85 2HG GLU 85 -9.832 5.744 2.544 675 HG3 GLU 85 3HG GLU 85 -8.853 6.279 3.929 676 H ALA 86 H ALA 86 -7.523 3.976 4.476 677 HA ALA 86 HA ALA 86 -5.952 5.573 6.323 678 HB1 ALA 86 1HB ALA 86 -7.016 4.174 7.966 679 HB2 ALA 86 2HB ALA 86 -8.230 4.633 6.771 680 HB3 ALA 86 3HB ALA 86 -7.521 3.001 6.745 681 H ALA 87 H ALA 87 -5.377 2.875 4.268 682 HA ALA 87 HA ALA 87 -3.322 1.624 5.949 683 HB1 ALA 87 1HB ALA 87 -3.140 0.019 4.151 684 HB2 ALA 87 2HB ALA 87 -4.869 0.281 4.441 685 HB3 ALA 87 3HB ALA 87 -4.088 1.043 3.050 686 H LEU 88 H LEU 88 -3.607 3.638 2.967 687 HA LEU 88 HA LEU 88 -0.910 3.632 2.289 688 HB2 LEU 88 2HB LEU 88 -1.355 5.410 0.805 689 HB3 LEU 88 3HB LEU 88 -2.818 4.485 0.938 690 HG LEU 88 HG LEU 88 -3.375 6.340 2.788 691 HD11 LEU 88 1HD1 LEU 88 -1.649 7.858 0.815 692 HD12 LEU 88 2HD1 LEU 88 -1.219 7.564 2.516 693 HD13 LEU 88 3HD1 LEU 88 -2.629 8.562 2.117 694 HD21 LEU 88 3HD2 LEU 88 -4.840 7.355 1.258 695 HD22 LEU 88 1HD2 LEU 88 -4.556 5.770 0.520 696 HD23 LEU 88 2HD2 LEU 88 -3.703 7.163 -0.105 697 H ALA 89 H ALA 89 -2.578 5.703 4.671 698 HA ALA 89 HA ALA 89 -0.488 7.487 5.250 699 HB1 ALA 89 1HB ALA 89 -2.522 6.289 7.194 700 HB2 ALA 89 2HB ALA 89 -1.631 7.813 7.393 701 HB3 ALA 89 3HB ALA 89 -2.839 7.645 6.105 702 H ARG 90 H ARG 90 -1.224 4.369 6.856 703 HA ARG 90 HA ARG 90 0.943 4.296 8.627 704 HB2 ARG 90 2HB ARG 90 -0.659 2.101 7.274 705 HB3 ARG 90 3HB ARG 90 0.467 1.802 8.593 706 HG2 ARG 90 2HG ARG 90 -0.824 3.142 10.130 707 HG3 ARG 90 3HG ARG 90 -1.927 3.678 8.840 708 HD2 ARG 90 2HD ARG 90 -2.749 1.456 8.479 709 HD3 ARG 90 3HD ARG 90 -1.502 0.752 9.509 710 HE ARG 90 HE ARG 90 -3.992 2.129 10.301 711 HH11 ARG 90 1HH1 ARG 90 -0.849 0.907 11.544 712 HH12 ARG 90 2HH1 ARG 90 -1.482 0.708 13.150 713 HH21 ARG 90 1HH2 ARG 90 -4.707 1.952 12.479 714 HH22 ARG 90 2HH2 ARG 90 -3.672 1.321 13.683 715 H LEU 91 H LEU 91 0.841 3.353 5.189 716 HA LEU 91 HA LEU 91 3.395 2.013 5.218 717 HB2 LEU 91 2HB LEU 91 1.820 1.560 3.402 718 HB3 LEU 91 3HB LEU 91 1.790 3.257 2.976 719 HG LEU 91 HG LEU 91 4.173 3.162 2.335 720 HD11 LEU 91 1HD1 LEU 91 5.258 0.916 2.064 721 HD12 LEU 91 2HD1 LEU 91 3.894 0.199 2.943 722 HD13 LEU 91 3HD1 LEU 91 4.997 1.341 3.757 723 HD21 LEU 91 3HD2 LEU 91 2.620 0.959 0.969 724 HD22 LEU 91 1HD2 LEU 91 3.927 1.937 0.281 725 HD23 LEU 91 2HD2 LEU 91 2.374 2.688 0.677 726 H VAL 92 H VAL 92 2.405 5.294 4.194 727 HA VAL 92 HA VAL 92 4.971 6.277 3.563 728 HB VAL 92 HB VAL 92 2.624 7.757 4.867 729 HG11 VAL 92 1HG1 VAL 92 5.048 8.926 3.439 730 HG12 VAL 92 2HG1 VAL 92 3.568 9.831 3.838 731 HG13 VAL 92 3HG1 VAL 92 4.574 9.182 5.133 732 HG21 VAL 92 3HG2 VAL 92 2.186 6.661 2.624 733 HG22 VAL 92 1HG2 VAL 92 1.956 8.408 2.691 734 HG23 VAL 92 2HG2 VAL 92 3.429 7.743 1.954 735 H ALA 93 H ALA 93 3.302 6.025 6.668 736 HA ALA 93 HA ALA 93 5.062 7.502 8.325 737 HB1 ALA 93 1HB ALA 93 3.921 6.387 10.192 738 HB2 ALA 93 2HB ALA 93 2.752 6.912 8.966 739 HB3 ALA 93 3HB ALA 93 3.214 5.199 9.095 740 H MET 94 H MET 94 4.822 3.899 7.965 741 HA MET 94 HA MET 94 7.205 3.415 9.510 742 HB2 MET 94 2HB MET 94 7.111 1.176 8.675 743 HB3 MET 94 3HB MET 94 5.500 1.725 9.159 744 HG2 MET 94 2HG MET 94 5.007 2.222 6.755 745 HG3 MET 94 3HG MET 94 6.523 1.504 6.304 746 HE1 MET 94 3HE MET 94 5.838 -2.205 7.643 747 HE2 MET 94 1HE MET 94 7.021 -0.894 7.702 748 HE3 MET 94 2HE MET 94 5.784 -1.039 8.969 749 H ILE 95 H ILE 95 6.785 4.125 5.997 750 HA ILE 95 HA ILE 95 9.467 3.420 5.290 751 HB ILE 95 HB ILE 95 7.456 5.412 4.183 752 HG12 ILE 95 2HG1 ILE 95 8.617 2.847 2.978 753 HG13 ILE 95 3HG1 ILE 95 7.175 2.856 3.983 754 HG21 ILE 95 1HG2 ILE 95 8.974 5.674 2.193 755 HG22 ILE 95 2HG2 ILE 95 9.708 6.331 3.647 756 HG23 ILE 95 3HG2 ILE 95 10.227 4.749 3.034 757 HD11 ILE 95 3HD1 ILE 95 7.512 4.323 1.349 758 HD12 ILE 95 1HD1 ILE 95 6.522 2.896 1.665 759 HD13 ILE 95 2HD1 ILE 95 6.085 4.456 2.401 760 H LYS 96 H LYS 96 8.044 6.405 6.658 761 HA LYS 96 HA LYS 96 10.555 7.834 6.773 762 HB2 LYS 96 2HB LYS 96 7.819 8.323 8.022 763 HB3 LYS 96 3HB LYS 96 9.185 9.429 8.183 764 HG2 LYS 96 2HG LYS 96 9.297 9.818 5.806 765 HG3 LYS 96 3HG LYS 96 8.065 8.599 5.473 766 HD2 LYS 96 2HD LYS 96 6.375 9.919 6.692 767 HD3 LYS 96 3HD LYS 96 7.610 11.119 7.123 768 HE2 LYS 96 2HE LYS 96 8.027 11.470 4.651 769 HE3 LYS 96 3HE LYS 96 6.628 10.435 4.310 770 HZ1 LYS 96 3HZ LYS 96 6.571 12.931 5.897 771 HZ2 LYS 96 1HZ LYS 96 5.228 12.086 5.443 772 HZ3 LYS 96 2HZ LYS 96 6.197 12.875 4.348 773 H GLU 97 H GLU 97 9.942 5.075 8.420 774 HA GLU 97 HA GLU 97 11.203 5.979 10.978 775 HB2 GLU 97 2HB GLU 97 9.609 3.469 10.340 776 HB3 GLU 97 3HB GLU 97 10.511 3.737 11.796 777 HG2 GLU 97 2HG GLU 97 8.094 5.292 10.880 778 HG3 GLU 97 3HG GLU 97 8.221 4.152 12.208 779 H LEU 98 H LEU 98 11.203 3.671 8.278 780 HA LEU 98 HA LEU 98 13.612 2.262 9.120 781 HB2 LEU 98 2HB LEU 98 12.021 2.115 6.535 782 HB3 LEU 98 3HB LEU 98 13.163 0.916 7.125 783 HG LEU 98 HG LEU 98 10.618 1.673 8.631 784 HD11 LEU 98 1HD1 LEU 98 9.572 -0.289 7.734 785 HD12 LEU 98 2HD1 LEU 98 10.957 -0.568 6.644 786 HD13 LEU 98 3HD1 LEU 98 9.947 0.883 6.467 787 HD21 LEU 98 3HD2 LEU 98 12.056 0.686 10.141 788 HD22 LEU 98 1HD2 LEU 98 12.616 -0.528 8.981 789 HD23 LEU 98 2HD2 LEU 98 10.960 -0.606 9.639 790 H THR 99 H THR 99 12.991 4.971 7.032 791 HA THR 99 HA THR 99 15.630 4.578 5.631 792 HB THR 99 HB THR 99 14.832 6.422 4.169 793 HG1 THR 99 1HG THR 99 12.302 6.090 5.419 794 HG21 THR 99 3HG2 THR 99 12.868 4.099 4.440 795 HG22 THR 99 1HG2 THR 99 14.439 4.053 3.615 796 HG23 THR 99 2HG2 THR 99 13.165 5.085 2.986 797 H THR 100 H THR 100 14.521 6.223 8.464 798 HA THR 100 HA THR 100 16.927 7.886 8.377 799 HB THR 100 HB THR 100 14.807 8.996 7.378 800 HG1 THR 100 1HG THR 100 15.438 10.991 8.400 801 HG21 THR 100 3HG2 THR 100 13.326 10.153 8.883 802 HG22 THR 100 1HG2 THR 100 14.133 9.451 10.300 803 HG23 THR 100 2HG2 THR 100 13.245 8.409 9.180 804 H GLU 101 H GLU 101 17.622 8.637 10.474 805 HA GLU 101 HA GLU 101 16.928 6.767 12.596 806 HB2 GLU 101 2HB GLU 101 18.831 9.133 12.485 807 HB3 GLU 101 3HB GLU 101 18.571 8.186 13.928 808 HG2 GLU 101 2HG GLU 101 19.540 7.033 11.276 809 HG3 GLU 101 3HG GLU 101 20.563 7.447 12.654 810 H LYS 102 H LYS 102 16.367 10.258 11.956 811 HA LYS 102 HA LYS 102 14.173 10.285 13.902 812 HB2 LYS 102 2HB LYS 102 16.769 11.766 14.231 813 HB3 LYS 102 3HB LYS 102 15.333 12.761 14.382 814 HG2 LYS 102 2HG LYS 102 14.426 11.013 16.021 815 HG3 LYS 102 3HG LYS 102 16.062 10.357 16.049 816 HD2 LYS 102 2HD LYS 102 15.166 13.174 16.815 817 HD3 LYS 102 3HD LYS 102 15.698 11.918 17.916 818 HE2 LYS 102 2HE LYS 102 17.416 13.419 15.879 819 HE3 LYS 102 3HE LYS 102 17.451 13.562 17.635 820 HZ1 LYS 102 3HZ LYS 102 17.990 11.065 17.527 821 HZ2 LYS 102 1HZ LYS 102 19.142 12.191 17.336 822 HZ3 LYS 102 2HZ LYS 102 18.541 11.419 15.994 823 H LYS 103 H LYS 103 13.018 12.342 13.739 824 HA LYS 103 HA LYS 103 12.789 13.293 10.920 825 HB2 LYS 103 2HB LYS 103 10.795 13.115 13.224 826 HB3 LYS 103 3HB LYS 103 10.403 13.708 11.615 827 HG2 LYS 103 2HG LYS 103 11.428 10.874 12.190 828 HG3 LYS 103 3HG LYS 103 9.740 11.306 12.140 829 HD2 LYS 103 2HD LYS 103 11.693 11.761 9.833 830 HD3 LYS 103 3HD LYS 103 10.706 10.343 9.984 831 HE2 LYS 103 2HE LYS 103 9.712 13.199 9.636 832 HE3 LYS 103 3HE LYS 103 9.627 11.890 8.457 833 HZ1 LYS 103 3HZ LYS 103 8.164 12.114 11.013 834 HZ2 LYS 103 1HZ LYS 103 8.193 10.718 10.159 835 HZ3 LYS 103 2HZ LYS 103 7.511 12.139 9.548 836 H ALA 104 H ALA 104 14.755 14.415 12.774 837 HA ALA 104 HA ALA 104 15.505 16.348 13.560 838 HB1 ALA 104 1HB ALA 104 13.402 17.682 11.819 839 HB2 ALA 104 2HB ALA 104 14.923 18.382 12.399 840 HB3 ALA 104 3HB ALA 104 14.942 17.035 11.241 841 H ARG 105 H ARG 105 13.182 15.003 14.960 842 HA ARG 105 HA ARG 105 11.732 17.159 16.305 843 HB2 ARG 105 2HB ARG 105 11.836 14.148 16.690 844 HB3 ARG 105 3HB ARG 105 10.802 15.223 17.634 845 HG2 ARG 105 2HG ARG 105 9.500 15.841 15.697 846 HG3 ARG 105 3HG ARG 105 10.676 15.138 14.597 847 HD2 ARG 105 2HD ARG 105 8.939 13.589 14.606 848 HD3 ARG 105 3HD ARG 105 10.182 12.867 15.631 849 HE ARG 105 HE ARG 105 8.531 14.279 17.363 850 HH11 ARG 105 1HH1 ARG 105 8.319 11.349 15.328 851 HH12 ARG 105 2HH1 ARG 105 6.705 10.966 15.862 852 HH21 ARG 105 1HH2 ARG 105 6.670 13.496 18.374 853 HH22 ARG 105 2HH2 ARG 105 6.017 11.965 17.934 854 H ARG 106 H ARG 106 13.282 18.422 17.414 855 HA ARG 106 HA ARG 106 14.525 17.089 19.736 856 HB2 ARG 106 2HB ARG 106 16.662 17.856 19.385 857 HB3 ARG 106 3HB ARG 106 16.188 17.232 17.817 858 HG2 ARG 106 2HG ARG 106 15.787 19.575 17.029 859 HG3 ARG 106 3HG ARG 106 16.278 20.177 18.632 860 HD2 ARG 106 2HD ARG 106 18.458 18.972 18.398 861 HD3 ARG 106 3HD ARG 106 17.946 18.451 16.787 862 HE ARG 106 HE ARG 106 17.948 21.341 17.172 863 HH11 ARG 106 1HH1 ARG 106 19.946 18.484 16.348 864 HH12 ARG 106 2HH1 ARG 106 21.120 19.437 15.496 865 HH21 ARG 106 1HH2 ARG 106 19.655 22.525 16.149 866 HH22 ARG 106 2HH2 ARG 106 20.942 21.686 15.324 867 HA PRO 107 HA PRO 107 12.897 20.629 21.675 868 HB2 PRO 107 2HB PRO 107 14.570 21.122 23.796 869 HB3 PRO 107 3HB PRO 107 13.436 19.742 23.725 870 HG2 PRO 107 2HG PRO 107 16.399 19.778 23.093 871 HG3 PRO 107 3HG PRO 107 15.485 18.584 24.068 872 HD2 PRO 107 2HD PRO 107 16.113 18.146 21.451 873 HD3 PRO 107 3HD PRO 107 14.576 17.569 22.148 874 H THR 108 H THR 108 12.919 22.700 21.314 875 HA THR 108 HA THR 108 15.418 24.233 20.808 876 HB THR 108 HB THR 108 12.941 24.450 19.046 877 HG1 THR 108 1HG THR 108 14.110 23.306 17.503 878 HG21 THR 108 3HG2 THR 108 15.797 25.486 18.682 879 HG22 THR 108 1HG2 THR 108 14.386 26.474 19.096 880 HG23 THR 108 2HG2 THR 108 14.464 25.674 17.521 881 H ARG 109 H ARG 109 12.128 24.000 22.034 882 HA ARG 109 HA ARG 109 12.464 26.566 23.464 883 HB2 ARG 109 2HB ARG 109 10.082 25.696 21.765 884 HB3 ARG 109 3HB ARG 109 9.928 26.880 23.062 885 HG2 ARG 109 2HG ARG 109 11.884 27.240 20.754 886 HG3 ARG 109 3HG ARG 109 10.216 27.817 20.706 887 HD2 ARG 109 2HD ARG 109 10.527 29.239 22.610 888 HD3 ARG 109 3HD ARG 109 12.133 28.570 22.935 889 HE ARG 109 HE ARG 109 12.311 29.545 20.361 890 HH11 ARG 109 1HH1 ARG 109 11.840 30.796 23.639 891 HH12 ARG 109 2HH1 ARG 109 12.218 32.445 23.241 892 HH21 ARG 109 1HH2 ARG 109 12.966 31.706 19.817 893 HH22 ARG 109 2HH2 ARG 109 13.050 32.928 21.032 894 H SER 110 H SER 110 9.920 24.023 23.195 895 HA SER 110 HA SER 110 9.416 23.976 25.950 896 HB2 SER 110 2HB SER 110 8.991 21.640 24.058 897 HB3 SER 110 3HB SER 110 8.008 22.122 25.453 898 HG SER 110 HG SER 110 7.523 24.079 24.260 899 H GLY 111 H GLY 111 9.557 21.932 27.324 900 HA2 GLY 111 2HA GLY 111 10.718 20.206 28.297 901 HA3 GLY 111 3HA GLY 111 11.837 20.170 26.918 902 HA PRO 112 HA PRO 112 13.822 22.295 30.568 903 HB2 PRO 112 2HB PRO 112 15.976 20.668 30.992 904 HB3 PRO 112 3HB PRO 112 14.351 20.318 31.661 905 HG2 PRO 112 2HG PRO 112 15.621 19.178 29.160 906 HG3 PRO 112 3HG PRO 112 14.732 18.320 30.454 907 HD2 PRO 112 2HD PRO 112 13.576 19.102 28.073 908 HD3 PRO 112 3HD PRO 112 12.649 18.999 29.593 909 H SER 113 H SER 113 15.511 23.822 30.301 910 HA SER 113 HA SER 113 16.481 24.219 27.611 911 HB2 SER 113 2HB SER 113 17.629 26.180 28.795 912 HB3 SER 113 3HB SER 113 15.865 26.138 28.822 913 HG SER 113 HG SER 113 16.543 26.606 30.863 914 H SER 114 H SER 114 19.050 24.906 27.622 915 HA SER 114 HA SER 114 20.678 22.984 29.120 916 HB2 SER 114 2HB SER 114 20.430 22.909 26.091 917 HB3 SER 114 3HB SER 114 21.659 22.047 27.028 918 HG SER 114 HG SER 114 19.168 21.623 28.033 919 H GLY 115 H GLY 115 22.988 23.458 28.820 920 HA2 GLY 115 2HA GLY 115 23.435 26.293 28.902 921 HA3 GLY 115 3HA GLY 115 24.642 25.021 29.080 922 H GLU 116 H GLU 116 24.856 23.750 26.701 923 HA GLU 116 HA GLU 116 25.025 25.809 24.604 924 HB2 GLU 116 2HB GLU 116 27.170 25.581 26.125 925 HB3 GLU 116 3HB GLU 116 27.425 24.091 25.230 926 HG2 GLU 116 2HG GLU 116 26.840 26.044 23.240 927 HG3 GLU 116 3HG GLU 116 27.793 26.923 24.431 928 H ASN 117 H ASN 117 26.444 24.239 22.691 929 HA ASN 117 HA ASN 117 24.934 21.730 22.398 930 HB2 ASN 117 2HB ASN 117 24.359 24.223 20.887 931 HB3 ASN 117 3HB ASN 117 24.713 22.865 19.847 932 HD21 ASN 117 1HD2 ASN 117 23.695 20.664 20.720 933 HD22 ASN 117 2HD2 ASN 117 21.975 20.790 20.991 934 H LEU 118 H LEU 118 27.354 21.680 23.168 935 HA LEU 118 HA LEU 118 29.454 21.896 21.473 936 HB2 LEU 118 2HB LEU 118 30.711 20.570 22.884 937 HB3 LEU 118 3HB LEU 118 29.549 21.402 23.897 938 HG LEU 118 HG LEU 118 29.392 18.479 22.998 939 HD11 LEU 118 1HD1 LEU 118 31.202 18.928 24.586 940 HD12 LEU 118 2HD1 LEU 118 29.919 17.967 25.335 941 HD13 LEU 118 3HD1 LEU 118 30.055 19.705 25.699 942 HD21 LEU 118 3HD2 LEU 118 27.600 20.073 24.880 943 HD22 LEU 118 1HD2 LEU 118 27.575 18.296 24.711 944 HD23 LEU 118 2HD2 LEU 118 27.135 19.312 23.337 945 H TYR 119 H TYR 119 30.795 20.313 20.399 946 HA TYR 119 HA TYR 119 29.436 18.884 18.347 947 HB2 TYR 119 2HB TYR 119 32.362 19.018 19.219 948 HB3 TYR 119 3HB TYR 119 31.800 18.302 17.714 949 HD1 TYR 119 2HD TYR 119 30.701 19.674 15.971 950 HD2 TYR 119 1HD TYR 119 32.588 21.464 19.415 951 HE1 TYR 119 2HE TYR 119 30.612 21.857 14.865 952 HE2 TYR 119 1HE TYR 119 32.541 23.665 18.295 953 HH TYR 119 HH TYR 119 31.112 24.141 15.048 954 H PHE 120 H PHE 120 30.182 16.556 17.792 955 HA PHE 120 HA PHE 120 30.683 14.887 20.126 956 HB2 PHE 120 2HB PHE 120 28.200 14.963 19.672 957 HB3 PHE 120 3HB PHE 120 28.505 14.404 18.032 958 HD1 PHE 120 2HD PHE 120 28.540 13.484 21.607 959 HD2 PHE 120 1HD PHE 120 29.192 12.097 17.583 960 HE1 PHE 120 2HE PHE 120 28.510 11.148 22.417 961 HE2 PHE 120 1HE PHE 120 29.132 9.743 18.382 962 HZ PHE 120 HZ PHE 120 28.764 9.260 20.811 963 H GLN 121 H GLN 121 32.336 13.476 19.558 964 HA GLN 121 HA GLN 121 33.347 13.551 16.784 965 HB2 GLN 121 2HB GLN 121 34.870 13.913 18.771 966 HB3 GLN 121 3HB GLN 121 34.513 12.262 19.300 967 HG2 GLN 121 2HG GLN 121 35.445 11.417 17.120 968 HG3 GLN 121 3HG GLN 121 35.832 13.085 16.674 969 HE21 GLN 121 1HE2 GLN 121 36.623 10.420 18.938 970 HE22 GLN 121 2HE2 GLN 121 38.154 11.138 19.442 Start of MODEL 14 1 H1 MET 1 H MET 1 -0.904 8.653 -3.433 2 HA MET 1 HA MET 1 0.762 9.282 -4.996 3 HB2 MET 1 2HB MET 1 0.843 11.973 -3.589 4 HB3 MET 1 3HB MET 1 1.940 11.426 -4.846 5 HG2 MET 1 2HG MET 1 -0.996 12.003 -5.169 6 HG3 MET 1 3HG MET 1 0.380 12.768 -5.965 7 HE1 MET 1 3HE MET 1 2.177 10.087 -6.884 8 HE2 MET 1 1HE MET 1 1.547 10.061 -8.543 9 HE3 MET 1 2HE MET 1 1.904 11.610 -7.763 10 H ILE 2 H ILE 2 0.626 9.214 -1.498 11 HA ILE 2 HA ILE 2 2.230 8.874 0.083 12 HB ILE 2 HB ILE 2 2.900 6.891 -2.127 13 HG12 ILE 2 2HG1 ILE 2 0.936 6.463 0.169 14 HG13 ILE 2 3HG1 ILE 2 0.392 7.073 -1.372 15 HG21 ILE 2 1HG2 ILE 2 4.334 7.023 0.232 16 HG22 ILE 2 2HG2 ILE 2 3.077 5.852 0.664 17 HG23 ILE 2 3HG2 ILE 2 4.099 5.582 -0.732 18 HD11 ILE 2 3HD1 ILE 2 0.081 4.643 -1.136 19 HD12 ILE 2 1HD1 ILE 2 0.993 5.125 -2.556 20 HD13 ILE 2 2HD1 ILE 2 1.844 4.437 -1.167 21 H VAL 3 H VAL 3 3.035 11.158 -1.057 22 HA VAL 3 HA VAL 3 5.665 10.921 -2.245 23 HB VAL 3 HB VAL 3 4.496 13.402 -1.135 24 HG11 VAL 3 1HG1 VAL 3 5.850 14.642 -2.664 25 HG12 VAL 3 2HG1 VAL 3 6.860 13.564 -1.706 26 HG13 VAL 3 3HG1 VAL 3 6.494 13.149 -3.382 27 HG21 VAL 3 3HG2 VAL 3 3.879 12.484 -3.901 28 HG22 VAL 3 1HG2 VAL 3 2.767 12.594 -2.527 29 HG23 VAL 3 2HG2 VAL 3 3.489 14.042 -3.160 30 H ILE 4 H ILE 4 7.139 10.092 -1.146 31 HA ILE 4 HA ILE 4 7.363 10.411 1.754 32 HB ILE 4 HB ILE 4 9.385 9.090 -0.077 33 HG12 ILE 4 2HG1 ILE 4 7.282 7.940 -0.471 34 HG13 ILE 4 3HG1 ILE 4 8.409 6.938 0.387 35 HG21 ILE 4 1HG2 ILE 4 10.322 9.570 2.073 36 HG22 ILE 4 2HG2 ILE 4 8.884 8.987 2.914 37 HG23 ILE 4 3HG2 ILE 4 9.940 7.856 2.068 38 HD11 ILE 4 3HD1 ILE 4 5.969 8.365 1.532 39 HD12 ILE 4 1HD1 ILE 4 6.228 6.608 1.337 40 HD13 ILE 4 2HD1 ILE 4 7.159 7.490 2.542 41 H SER 5 H SER 5 9.057 11.398 -1.298 42 HA SER 5 HA SER 5 10.306 13.693 0.010 43 HB2 SER 5 2HB SER 5 11.747 11.627 0.440 44 HB3 SER 5 3HB SER 5 11.970 11.498 -1.310 45 HG SER 5 HG SER 5 13.394 12.822 0.384 46 H ARG 6 H ARG 6 11.823 14.713 -1.694 47 HA ARG 6 HA ARG 6 10.432 15.892 -3.734 48 HB2 ARG 6 2HB ARG 6 12.682 16.445 -4.745 49 HB3 ARG 6 3HB ARG 6 12.492 16.852 -3.042 50 HG2 ARG 6 2HG ARG 6 13.799 14.888 -2.383 51 HG3 ARG 6 3HG ARG 6 13.944 14.384 -4.063 52 HD2 ARG 6 2HD ARG 6 15.156 16.492 -4.573 53 HD3 ARG 6 3HD ARG 6 15.055 16.954 -2.872 54 HE ARG 6 HE ARG 6 16.232 14.691 -2.457 55 HH11 ARG 6 1HH1 ARG 6 17.013 16.802 -5.212 56 HH12 ARG 6 2HH1 ARG 6 18.566 16.104 -5.483 57 HH21 ARG 6 1HH2 ARG 6 18.226 13.825 -2.730 58 HH22 ARG 6 2HH2 ARG 6 19.357 14.448 -3.902 59 H HIS 7 H HIS 7 12.246 12.854 -4.134 60 HA HIS 7 HA HIS 7 11.095 12.623 -6.886 61 HB2 HIS 7 2HB HIS 7 13.717 11.467 -5.893 62 HB3 HIS 7 3HB HIS 7 13.140 11.535 -7.561 63 HD1 HIS 7 1HD HIS 7 12.526 14.666 -7.813 64 HD2 HIS 7 2HD HIS 7 15.791 12.910 -5.785 65 HE1 HIS 7 1HE HIS 7 14.323 16.461 -7.614 66 H VAL 8 H VAL 8 10.061 11.645 -4.146 67 HA VAL 8 HA VAL 8 9.871 8.776 -4.890 68 HB VAL 8 HB VAL 8 10.382 9.773 -2.080 69 HG11 VAL 8 1HG1 VAL 8 10.165 7.002 -3.290 70 HG12 VAL 8 2HG1 VAL 8 10.537 7.353 -1.583 71 HG13 VAL 8 3HG1 VAL 8 8.951 7.761 -2.231 72 HG21 VAL 8 3HG2 VAL 8 12.546 8.535 -2.225 73 HG22 VAL 8 1HG2 VAL 8 12.260 8.309 -3.966 74 HG23 VAL 8 2HG2 VAL 8 12.495 9.938 -3.299 75 H ALA 9 H ALA 9 7.768 8.736 -5.499 76 HA ALA 9 HA ALA 9 5.675 9.215 -3.515 77 HB1 ALA 9 1HB ALA 9 5.659 11.407 -4.248 78 HB2 ALA 9 2HB ALA 9 5.967 10.952 -5.964 79 HB3 ALA 9 3HB ALA 9 4.402 10.635 -5.202 80 H ILE 10 H ILE 10 4.428 7.489 -3.613 81 HA ILE 10 HA ILE 10 4.514 5.751 -5.996 82 HB ILE 10 HB ILE 10 3.097 5.065 -3.422 83 HG12 ILE 10 2HG1 ILE 10 6.009 4.460 -4.076 84 HG13 ILE 10 3HG1 ILE 10 5.424 5.523 -2.796 85 HG21 ILE 10 1HG2 ILE 10 3.324 2.766 -4.315 86 HG22 ILE 10 2HG2 ILE 10 2.513 3.786 -5.472 87 HG23 ILE 10 3HG2 ILE 10 4.224 3.385 -5.701 88 HD11 ILE 10 3HD1 ILE 10 5.084 2.516 -2.933 89 HD12 ILE 10 1HD1 ILE 10 5.927 3.473 -1.705 90 HD13 ILE 10 2HD1 ILE 10 4.145 3.523 -1.821 91 HA PRO 11 HA PRO 11 0.637 7.853 -6.949 92 HB2 PRO 11 2HB PRO 11 -0.025 6.620 -9.305 93 HB3 PRO 11 3HB PRO 11 1.324 7.757 -9.114 94 HG2 PRO 11 2HG PRO 11 1.439 4.729 -9.027 95 HG3 PRO 11 3HG PRO 11 2.475 5.844 -9.972 96 HD2 PRO 11 2HD PRO 11 3.300 4.861 -7.620 97 HD3 PRO 11 3HD PRO 11 3.679 6.532 -8.121 98 H ASP 12 H ASP 12 0.676 5.222 -5.241 99 HA ASP 12 HA ASP 12 -0.787 3.916 -4.141 100 HB2 ASP 12 2HB ASP 12 -2.826 5.844 -5.306 101 HB3 ASP 12 3HB ASP 12 -3.295 4.466 -4.344 102 H GLY 13 H GLY 13 -0.716 3.818 -7.544 103 HA2 GLY 13 2HA GLY 13 -2.727 1.710 -7.887 104 HA3 GLY 13 3HA GLY 13 -1.736 2.467 -9.129 105 H GLU 14 H GLU 14 0.705 2.083 -7.431 106 HA GLU 14 HA GLU 14 1.549 -0.447 -8.461 107 HB2 GLU 14 2HB GLU 14 2.782 1.521 -6.501 108 HB3 GLU 14 3HB GLU 14 3.683 0.195 -7.264 109 HG2 GLU 14 2HG GLU 14 2.555 2.694 -8.543 110 HG3 GLU 14 3HG GLU 14 4.248 2.239 -8.368 111 H LEU 15 H LEU 15 -0.389 0.113 -5.859 112 HA LEU 15 HA LEU 15 0.888 -1.898 -4.073 113 HB2 LEU 15 2HB LEU 15 -1.470 -0.185 -3.300 114 HB3 LEU 15 3HB LEU 15 -0.311 -1.052 -2.286 115 HG LEU 15 HG LEU 15 0.106 1.574 -3.800 116 HD11 LEU 15 1HD1 LEU 15 -0.940 1.675 -1.539 117 HD12 LEU 15 2HD1 LEU 15 0.703 2.368 -1.546 118 HD13 LEU 15 3HD1 LEU 15 0.453 0.744 -0.904 119 HD21 LEU 15 3HD2 LEU 15 2.112 -0.208 -2.424 120 HD22 LEU 15 1HD2 LEU 15 2.432 1.510 -2.703 121 HD23 LEU 15 2HD2 LEU 15 2.230 0.423 -4.082 122 H GLU 16 H GLU 16 -0.043 -3.772 -3.643 123 HA GLU 16 HA GLU 16 -2.384 -4.647 -5.159 124 HB2 GLU 16 2HB GLU 16 -0.299 -6.011 -5.143 125 HB3 GLU 16 3HB GLU 16 -0.420 -6.157 -3.390 126 HG2 GLU 16 2HG GLU 16 -2.910 -7.007 -3.997 127 HG3 GLU 16 3HG GLU 16 -2.145 -7.351 -5.552 128 H ILE 17 H ILE 17 -4.248 -3.986 -4.131 129 HA ILE 17 HA ILE 17 -4.369 -4.072 -1.158 130 HB ILE 17 HB ILE 17 -5.868 -2.510 -3.265 131 HG12 ILE 17 2HG1 ILE 17 -4.179 -1.425 -0.955 132 HG13 ILE 17 3HG1 ILE 17 -3.424 -1.875 -2.470 133 HG21 ILE 17 1HG2 ILE 17 -7.428 -3.068 -1.412 134 HG22 ILE 17 2HG2 ILE 17 -6.234 -2.416 -0.257 135 HG23 ILE 17 3HG2 ILE 17 -7.047 -1.348 -1.426 136 HD11 ILE 17 3HD1 ILE 17 -4.934 -0.384 -3.713 137 HD12 ILE 17 1HD1 ILE 17 -5.557 0.234 -2.161 138 HD13 ILE 17 2HD1 ILE 17 -3.846 0.446 -2.582 139 H THR 18 H THR 18 -5.700 -5.509 -0.169 140 HA THR 18 HA THR 18 -7.718 -6.906 -1.847 141 HB THR 18 HB THR 18 -7.184 -8.845 -0.057 142 HG1 THR 18 1HG THR 18 -4.581 -7.828 -0.583 143 HG21 THR 18 3HG2 THR 18 -7.439 -8.976 -2.474 144 HG22 THR 18 1HG2 THR 18 -6.090 -9.991 -1.904 145 HG23 THR 18 2HG2 THR 18 -5.766 -8.420 -2.712 146 H ALA 19 H ALA 19 -9.421 -7.963 -0.840 147 HA ALA 19 HA ALA 19 -10.450 -6.378 1.365 148 HB1 ALA 19 1HB ALA 19 -11.800 -8.349 -0.557 149 HB2 ALA 19 2HB ALA 19 -12.646 -7.321 0.618 150 HB3 ALA 19 3HB ALA 19 -11.772 -6.584 -0.753 151 H ILE 20 H ILE 20 -10.455 -7.092 3.365 152 HA ILE 20 HA ILE 20 -10.375 -10.045 3.807 153 HB ILE 20 HB ILE 20 -9.127 -9.345 5.887 154 HG12 ILE 20 2HG1 ILE 20 -8.340 -6.897 4.294 155 HG13 ILE 20 3HG1 ILE 20 -9.465 -6.897 5.646 156 HG21 ILE 20 1HG2 ILE 20 -7.780 -9.061 3.170 157 HG22 ILE 20 2HG2 ILE 20 -6.964 -9.515 4.675 158 HG23 ILE 20 3HG2 ILE 20 -8.165 -10.607 3.975 159 HD11 ILE 20 3HD1 ILE 20 -7.627 -7.923 7.074 160 HD12 ILE 20 1HD1 ILE 20 -6.514 -7.608 5.727 161 HD13 ILE 20 2HD1 ILE 20 -7.331 -6.264 6.534 162 H ARG 21 H ARG 21 -11.409 -10.888 5.540 163 HA ARG 21 HA ARG 21 -13.344 -9.182 6.970 164 HB2 ARG 21 2HB ARG 21 -13.967 -11.809 5.532 165 HB3 ARG 21 3HB ARG 21 -15.028 -10.979 6.664 166 HG2 ARG 21 2HG ARG 21 -15.920 -10.254 4.678 167 HG3 ARG 21 3HG ARG 21 -14.840 -8.924 5.065 168 HD2 ARG 21 2HD ARG 21 -14.634 -9.393 2.723 169 HD3 ARG 21 3HD ARG 21 -13.138 -9.963 3.464 170 HE ARG 21 HE ARG 21 -15.368 -11.861 3.014 171 HH11 ARG 21 1HH1 ARG 21 -12.017 -10.920 1.894 172 HH12 ARG 21 2HH1 ARG 21 -11.895 -12.431 1.069 173 HH21 ARG 21 1HH2 ARG 21 -15.012 -13.696 1.942 174 HH22 ARG 21 2HH2 ARG 21 -13.566 -13.976 1.013 175 H ALA 22 H ALA 22 -14.125 -10.389 8.961 176 HA ALA 22 HA ALA 22 -12.152 -12.386 9.943 177 HB1 ALA 22 1HB ALA 22 -12.218 -11.319 12.136 178 HB2 ALA 22 2HB ALA 22 -11.668 -10.155 10.929 179 HB3 ALA 22 3HB ALA 22 -13.338 -10.080 11.549 180 H GLN 23 H GLN 23 -13.044 -13.640 11.785 181 HA GLN 23 HA GLN 23 -15.786 -13.811 12.419 182 HB2 GLN 23 2HB GLN 23 -16.214 -16.053 11.310 183 HB3 GLN 23 3HB GLN 23 -16.212 -14.656 10.271 184 HG2 GLN 23 2HG GLN 23 -15.122 -16.260 9.032 185 HG3 GLN 23 3HG GLN 23 -13.811 -15.256 9.584 186 HE21 GLN 23 1HE2 GLN 23 -15.522 -18.407 10.215 187 HE22 GLN 23 2HE2 GLN 23 -14.090 -19.157 10.901 188 H GLY 24 H GLY 24 -16.000 -16.270 13.432 189 HA2 GLY 24 2HA GLY 24 -15.293 -17.673 15.094 190 HA3 GLY 24 3HA GLY 24 -13.658 -17.508 14.435 191 H ALA 25 H ALA 25 -13.295 -17.777 16.867 192 HA ALA 25 HA ALA 25 -13.534 -15.216 18.358 193 HB1 ALA 25 1HB ALA 25 -14.322 -17.274 19.483 194 HB2 ALA 25 2HB ALA 25 -12.695 -17.979 19.308 195 HB3 ALA 25 3HB ALA 25 -12.942 -16.526 20.304 196 H GLY 26 H GLY 26 -11.624 -14.360 19.351 197 HA2 GLY 26 2HA GLY 26 -9.174 -14.800 17.729 198 HA3 GLY 26 3HA GLY 26 -9.582 -13.355 18.649 199 H GLY 27 H GLY 27 -7.309 -15.462 18.584 200 HA2 GLY 27 2HA GLY 27 -6.839 -15.505 21.506 201 HA3 GLY 27 3HA GLY 27 -6.729 -17.013 20.596 202 H GLN 28 H GLN 28 -5.700 -14.753 18.386 203 HA GLN 28 HA GLN 28 -2.907 -14.677 19.412 204 HB2 GLN 28 2HB GLN 28 -3.488 -16.516 17.710 205 HB3 GLN 28 3HB GLN 28 -3.625 -15.227 16.514 206 HG2 GLN 28 2HG GLN 28 -1.281 -14.601 16.908 207 HG3 GLN 28 3HG GLN 28 -1.174 -15.730 18.271 208 HE21 GLN 28 1HE2 GLN 28 -0.014 -17.585 17.671 209 HE22 GLN 28 2HE2 GLN 28 -0.223 -18.409 16.127 210 H HIS 29 H HIS 29 -4.977 -13.309 16.713 211 HA HIS 29 HA HIS 29 -4.278 -10.628 17.671 212 HB2 HIS 29 2HB HIS 29 -3.557 -9.807 15.533 213 HB3 HIS 29 3HB HIS 29 -2.483 -11.063 16.106 214 HD1 HIS 29 1HD HIS 29 -5.419 -10.777 13.511 215 HD2 HIS 29 2HD HIS 29 -1.821 -12.828 14.343 216 HE1 HIS 29 1HE HIS 29 -4.966 -12.234 11.506 217 H VAL 30 H VAL 30 -6.071 -9.283 17.547 218 HA VAL 30 HA VAL 30 -8.126 -9.735 15.547 219 HB VAL 30 HB VAL 30 -8.547 -11.423 17.403 220 HG11 VAL 30 1HG1 VAL 30 -9.504 -10.689 19.509 221 HG12 VAL 30 2HG1 VAL 30 -7.856 -10.055 19.327 222 HG13 VAL 30 3HG1 VAL 30 -9.246 -8.984 19.072 223 HG21 VAL 30 3HG2 VAL 30 -10.765 -9.424 16.919 224 HG22 VAL 30 1HG2 VAL 30 -10.307 -10.772 15.858 225 HG23 VAL 30 2HG2 VAL 30 -10.940 -11.088 17.479 226 H ASN 31 H ASN 31 -9.691 -7.919 15.596 227 HA ASN 31 HA ASN 31 -8.824 -5.550 17.196 228 HB2 ASN 31 2HB ASN 31 -9.268 -5.481 14.186 229 HB3 ASN 31 3HB ASN 31 -8.840 -4.124 15.221 230 HD21 ASN 31 1HD2 ASN 31 -7.514 -6.262 13.037 231 HD22 ASN 31 2HD2 ASN 31 -5.859 -6.258 13.646 232 H LYS 32 H LYS 32 -11.292 -7.554 16.729 233 HA LYS 32 HA LYS 32 -13.496 -7.535 16.784 234 HB2 LYS 32 2HB LYS 32 -12.762 -6.061 18.845 235 HB3 LYS 32 3HB LYS 32 -13.470 -4.749 17.928 236 HG2 LYS 32 2HG LYS 32 -15.108 -5.469 19.450 237 HG3 LYS 32 3HG LYS 32 -15.649 -6.028 17.871 238 HD2 LYS 32 2HD LYS 32 -14.610 -8.301 18.451 239 HD3 LYS 32 3HD LYS 32 -14.358 -7.683 20.086 240 HE2 LYS 32 2HE LYS 32 -17.033 -7.855 18.623 241 HE3 LYS 32 3HE LYS 32 -16.428 -9.042 19.788 242 HZ1 LYS 32 3HZ LYS 32 -17.948 -7.532 20.824 243 HZ2 LYS 32 1HZ LYS 32 -17.077 -6.222 20.407 244 HZ3 LYS 32 2HZ LYS 32 -16.456 -7.343 21.474 245 H THR 33 H THR 33 -12.143 -6.196 14.333 246 HA THR 33 HA THR 33 -14.595 -4.979 13.175 247 HB THR 33 HB THR 33 -12.867 -3.707 11.763 248 HG1 THR 33 1HG THR 33 -11.104 -5.014 12.443 249 HG21 THR 33 3HG2 THR 33 -12.457 -1.951 13.447 250 HG22 THR 33 1HG2 THR 33 -12.984 -3.044 14.734 251 HG23 THR 33 2HG2 THR 33 -14.131 -2.514 13.482 252 H SER 34 H SER 34 -15.325 -6.126 11.399 253 HA SER 34 HA SER 34 -13.576 -8.233 10.303 254 HB2 SER 34 2HB SER 34 -16.488 -7.577 9.815 255 HB3 SER 34 3HB SER 34 -15.631 -9.003 9.214 256 HG SER 34 HG SER 34 -16.787 -9.471 11.067 257 H THR 35 H THR 35 -15.694 -5.548 8.994 258 HA THR 35 HA THR 35 -14.673 -5.846 6.337 259 HB THR 35 HB THR 35 -15.947 -3.345 7.525 260 HG1 THR 35 1HG THR 35 -17.912 -4.268 7.061 261 HG21 THR 35 3HG2 THR 35 -15.895 -4.624 4.752 262 HG22 THR 35 1HG2 THR 35 -15.046 -3.142 5.251 263 HG23 THR 35 2HG2 THR 35 -16.814 -3.172 5.173 264 H ALA 36 H ALA 36 -12.459 -5.884 6.374 265 HA ALA 36 HA ALA 36 -11.082 -3.286 6.967 266 HB1 ALA 36 1HB ALA 36 -10.671 -4.944 8.719 267 HB2 ALA 36 2HB ALA 36 -10.212 -6.164 7.541 268 HB3 ALA 36 3HB ALA 36 -9.196 -4.717 7.743 269 H ILE 37 H ILE 37 -8.742 -3.495 5.985 270 HA ILE 37 HA ILE 37 -8.842 -4.672 3.261 271 HB ILE 37 HB ILE 37 -8.284 -1.780 3.978 272 HG12 ILE 37 2HG1 ILE 37 -10.616 -2.350 3.284 273 HG13 ILE 37 3HG1 ILE 37 -9.813 -1.205 2.219 274 HG21 ILE 37 1HG2 ILE 37 -7.475 -1.464 1.609 275 HG22 ILE 37 2HG2 ILE 37 -6.363 -2.397 2.598 276 HG23 ILE 37 3HG2 ILE 37 -7.388 -3.233 1.458 277 HD11 ILE 37 3HD1 ILE 37 -11.027 -2.783 0.861 278 HD12 ILE 37 1HD1 ILE 37 -9.336 -3.079 0.585 279 HD13 ILE 37 2HD1 ILE 37 -10.249 -4.169 1.661 280 H HIS 38 H HIS 38 -6.853 -5.134 2.421 281 HA HIS 38 HA HIS 38 -4.581 -5.352 4.328 282 HB2 HIS 38 2HB HIS 38 -5.834 -7.471 3.667 283 HB3 HIS 38 3HB HIS 38 -5.470 -7.113 2.006 284 HD1 HIS 38 1HD HIS 38 -2.932 -7.766 1.204 285 HD2 HIS 38 2HD HIS 38 -3.918 -8.290 5.266 286 HE1 HIS 38 1HE HIS 38 -1.035 -9.137 2.259 287 H LEU 39 H LEU 39 -2.855 -4.131 3.603 288 HA LEU 39 HA LEU 39 -2.800 -3.259 0.736 289 HB2 LEU 39 2HB LEU 39 -3.156 -1.381 2.177 290 HB3 LEU 39 3HB LEU 39 -1.874 -1.849 3.264 291 HG LEU 39 HG LEU 39 -1.105 -1.396 0.390 292 HD11 LEU 39 1HD1 LEU 39 -2.517 0.515 0.653 293 HD12 LEU 39 2HD1 LEU 39 -0.872 1.097 0.889 294 HD13 LEU 39 3HD1 LEU 39 -1.905 0.842 2.291 295 HD21 LEU 39 3HD2 LEU 39 0.956 -0.644 1.247 296 HD22 LEU 39 1HD2 LEU 39 0.548 -1.938 2.366 297 HD23 LEU 39 2HD2 LEU 39 0.290 -0.240 2.826 298 H ARG 40 H ARG 40 -1.107 -4.086 -0.428 299 HA ARG 40 HA ARG 40 1.236 -5.174 1.046 300 HB2 ARG 40 2HB ARG 40 -0.311 -6.978 0.399 301 HB3 ARG 40 3HB ARG 40 -0.331 -6.403 -1.270 302 HG2 ARG 40 2HG ARG 40 2.081 -6.894 -1.484 303 HG3 ARG 40 3HG ARG 40 2.076 -7.450 0.219 304 HD2 ARG 40 2HD ARG 40 0.160 -9.032 -0.597 305 HD3 ARG 40 3HD ARG 40 0.792 -8.689 -2.218 306 HE ARG 40 HE ARG 40 2.973 -9.532 -1.494 307 HH11 ARG 40 1HH1 ARG 40 0.061 -11.050 -0.381 308 HH12 ARG 40 2HH1 ARG 40 0.812 -12.228 0.628 309 HH21 ARG 40 1HH2 ARG 40 4.096 -11.166 -0.242 310 HH22 ARG 40 2HH2 ARG 40 3.191 -12.373 0.550 311 H PHE 41 H PHE 41 2.988 -4.114 0.392 312 HA PHE 41 HA PHE 41 3.081 -2.896 -2.321 313 HB2 PHE 41 2HB PHE 41 2.811 -1.187 -0.622 314 HB3 PHE 41 3HB PHE 41 4.033 -1.931 0.390 315 HD1 PHE 41 2HD PHE 41 3.902 -0.993 -3.268 316 HD2 PHE 41 1HD PHE 41 6.021 -0.746 0.474 317 HE1 PHE 41 2HE PHE 41 5.716 0.172 -4.399 318 HE2 PHE 41 1HE PHE 41 7.912 0.346 -0.669 319 HZ PHE 41 HZ PHE 41 7.763 0.798 -3.136 320 H ASP 42 H ASP 42 4.497 -4.055 -3.575 321 HA ASP 42 HA ASP 42 6.646 -5.657 -2.482 322 HB2 ASP 42 2HB ASP 42 5.780 -4.939 -5.326 323 HB3 ASP 42 3HB ASP 42 7.051 -6.112 -4.923 324 H ILE 43 H ILE 43 8.432 -4.549 -1.741 325 HA ILE 43 HA ILE 43 9.203 -2.019 -2.851 326 HB ILE 43 HB ILE 43 10.825 -3.985 -1.196 327 HG12 ILE 43 2HG1 ILE 43 9.726 -1.418 -0.074 328 HG13 ILE 43 3HG1 ILE 43 8.536 -2.662 -0.357 329 HG21 ILE 43 1HG2 ILE 43 12.349 -2.449 -2.321 330 HG22 ILE 43 2HG2 ILE 43 11.362 -1.052 -1.843 331 HG23 ILE 43 3HG2 ILE 43 12.240 -2.012 -0.622 332 HD11 ILE 43 3HD1 ILE 43 9.427 -4.136 1.172 333 HD12 ILE 43 1HD1 ILE 43 11.047 -3.397 1.150 334 HD13 ILE 43 2HD1 ILE 43 9.673 -2.593 1.949 335 H ARG 44 H ARG 44 10.377 -5.401 -3.442 336 HA ARG 44 HA ARG 44 12.494 -4.670 -5.237 337 HB2 ARG 44 2HB ARG 44 10.859 -7.243 -5.188 338 HB3 ARG 44 3HB ARG 44 12.436 -7.043 -5.909 339 HG2 ARG 44 2HG ARG 44 11.877 -6.784 -2.913 340 HG3 ARG 44 3HG ARG 44 12.471 -8.232 -3.712 341 HD2 ARG 44 2HD ARG 44 13.861 -5.532 -3.678 342 HD3 ARG 44 3HD ARG 44 14.255 -6.907 -2.625 343 HE ARG 44 HE ARG 44 14.762 -8.213 -4.647 344 HH11 ARG 44 1HH1 ARG 44 15.451 -4.752 -4.522 345 HH12 ARG 44 2HH1 ARG 44 16.507 -4.747 -5.897 346 HH21 ARG 44 1HH2 ARG 44 16.126 -8.225 -6.490 347 HH22 ARG 44 2HH2 ARG 44 16.805 -6.750 -7.122 348 H ALA 45 H ALA 45 9.149 -4.383 -5.801 349 HA ALA 45 HA ALA 45 9.593 -4.489 -8.753 350 HB1 ALA 45 1HB ALA 45 7.048 -5.050 -7.207 351 HB2 ALA 45 2HB ALA 45 7.289 -5.185 -8.957 352 HB3 ALA 45 3HB ALA 45 8.145 -6.294 -7.868 353 H SER 46 H SER 46 9.464 -2.251 -6.434 354 HA SER 46 HA SER 46 7.405 -0.514 -7.668 355 HB2 SER 46 2HB SER 46 7.689 0.802 -5.633 356 HB3 SER 46 3HB SER 46 7.488 -0.903 -5.219 357 HG SER 46 HG SER 46 9.714 -1.067 -4.959 358 H SER 47 H SER 47 7.722 1.746 -7.845 359 HA SER 47 HA SER 47 10.009 2.586 -9.358 360 HB2 SER 47 2HB SER 47 7.705 4.168 -8.121 361 HB3 SER 47 3HB SER 47 8.791 4.749 -9.394 362 HG SER 47 HG SER 47 7.942 3.382 -10.813 363 H LEU 48 H LEU 48 9.864 2.097 -6.070 364 HA LEU 48 HA LEU 48 10.896 4.619 -5.054 365 HB2 LEU 48 2HB LEU 48 10.998 1.786 -3.992 366 HB3 LEU 48 3HB LEU 48 11.677 3.170 -3.107 367 HG LEU 48 HG LEU 48 8.861 2.525 -3.889 368 HD11 LEU 48 1HD1 LEU 48 10.319 2.699 -1.196 369 HD12 LEU 48 2HD1 LEU 48 9.733 1.227 -2.003 370 HD13 LEU 48 3HD1 LEU 48 8.585 2.414 -1.367 371 HD21 LEU 48 3HD2 LEU 48 8.190 4.525 -2.444 372 HD22 LEU 48 1HD2 LEU 48 9.051 4.992 -3.909 373 HD23 LEU 48 2HD2 LEU 48 9.919 4.957 -2.355 374 HA PRO 49 HA PRO 49 15.003 4.240 -6.568 375 HB2 PRO 49 2HB PRO 49 16.523 5.468 -4.599 376 HB3 PRO 49 3HB PRO 49 15.480 6.329 -5.764 377 HG2 PRO 49 2HG PRO 49 14.823 5.480 -2.969 378 HG3 PRO 49 3HG PRO 49 14.547 7.087 -3.702 379 HD2 PRO 49 2HD PRO 49 12.557 5.294 -3.500 380 HD3 PRO 49 3HD PRO 49 12.708 6.254 -4.997 381 H GLU 50 H GLU 50 17.169 3.447 -6.160 382 HA GLU 50 HA GLU 50 17.277 0.787 -5.221 383 HB2 GLU 50 2HB GLU 50 19.596 0.858 -5.792 384 HB3 GLU 50 3HB GLU 50 18.733 1.835 -6.968 385 HG2 GLU 50 2HG GLU 50 19.359 3.852 -5.410 386 HG3 GLU 50 3HG GLU 50 20.549 2.745 -4.710 387 H TYR 51 H TYR 51 18.417 3.816 -3.700 388 HA TYR 51 HA TYR 51 19.575 2.776 -1.383 389 HB2 TYR 51 2HB TYR 51 19.596 5.166 -2.157 390 HB3 TYR 51 3HB TYR 51 17.914 5.343 -1.694 391 HD1 TYR 51 1HD TYR 51 21.392 4.976 -0.513 392 HD2 TYR 51 2HD TYR 51 17.281 5.473 0.744 393 HE1 TYR 51 1HE TYR 51 22.141 5.396 1.779 394 HE2 TYR 51 2HE TYR 51 18.035 5.901 3.055 395 HH TYR 51 HH TYR 51 21.369 5.231 4.005 396 H TYR 52 H TYR 52 16.158 3.594 -2.067 397 HA TYR 52 HA TYR 52 15.230 2.853 0.550 398 HB2 TYR 52 2HB TYR 52 13.806 3.339 -2.077 399 HB3 TYR 52 3HB TYR 52 12.985 2.706 -0.693 400 HD1 TYR 52 2HD TYR 52 15.642 5.451 -0.792 401 HD2 TYR 52 1HD TYR 52 11.489 4.448 -0.137 402 HE1 TYR 52 2HE TYR 52 15.257 7.692 0.044 403 HE2 TYR 52 1HE TYR 52 11.084 6.734 0.649 404 HH TYR 52 HH TYR 52 13.750 9.115 1.008 405 H LYS 53 H LYS 53 15.989 0.908 -2.349 406 HA LYS 53 HA LYS 53 14.277 -1.320 -1.687 407 HB2 LYS 53 2HB LYS 53 17.034 -1.437 -3.028 408 HB3 LYS 53 3HB LYS 53 15.847 -2.695 -3.064 409 HG2 LYS 53 2HG LYS 53 15.410 -0.004 -4.318 410 HG3 LYS 53 3HG LYS 53 16.202 -1.302 -5.138 411 HD2 LYS 53 2HD LYS 53 14.254 -2.254 -5.750 412 HD3 LYS 53 3HD LYS 53 13.681 -2.298 -4.096 413 HE2 LYS 53 2HE LYS 53 13.331 0.019 -6.085 414 HE3 LYS 53 3HE LYS 53 12.109 -0.994 -5.384 415 HZ1 LYS 53 3HZ LYS 53 12.383 1.169 -4.450 416 HZ2 LYS 53 1HZ LYS 53 13.888 0.863 -3.940 417 HZ3 LYS 53 2HZ LYS 53 12.606 0.013 -3.268 418 H GLU 54 H GLU 54 17.803 -0.887 -1.182 419 HA GLU 54 HA GLU 54 18.074 -3.000 0.639 420 HB2 GLU 54 2HB GLU 54 19.773 -0.484 0.486 421 HB3 GLU 54 3HB GLU 54 20.224 -2.045 1.185 422 HG2 GLU 54 2HG GLU 54 19.525 -2.945 -1.223 423 HG3 GLU 54 3HG GLU 54 19.814 -1.284 -1.722 424 H ARG 55 H ARG 55 17.160 0.377 1.282 425 HA ARG 55 HA ARG 55 17.479 0.219 4.105 426 HB2 ARG 55 2HB ARG 55 16.235 2.085 2.209 427 HB3 ARG 55 3HB ARG 55 15.268 1.956 3.658 428 HG2 ARG 55 2HG ARG 55 16.958 3.766 3.714 429 HG3 ARG 55 3HG ARG 55 17.027 2.628 5.055 430 HD2 ARG 55 2HD ARG 55 18.818 1.697 2.964 431 HD3 ARG 55 3HD ARG 55 19.106 3.394 3.189 432 HE ARG 55 HE ARG 55 19.912 1.274 4.845 433 HH11 ARG 55 1HH1 ARG 55 18.669 4.600 5.336 434 HH12 ARG 55 2HH1 ARG 55 19.221 4.664 6.978 435 HH21 ARG 55 1HH2 ARG 55 20.203 1.285 7.077 436 HH22 ARG 55 2HH2 ARG 55 20.018 2.726 8.023 437 H LEU 56 H LEU 56 14.502 -0.207 2.224 438 HA LEU 56 HA LEU 56 12.967 -0.999 4.539 439 HB2 LEU 56 2HB LEU 56 12.394 -1.441 1.608 440 HB3 LEU 56 3HB LEU 56 11.226 -1.449 2.935 441 HG LEU 56 HG LEU 56 12.811 1.031 2.109 442 HD11 LEU 56 1HD1 LEU 56 9.954 0.310 1.427 443 HD12 LEU 56 2HD1 LEU 56 11.349 0.331 0.301 444 HD13 LEU 56 3HD1 LEU 56 10.798 1.837 1.050 445 HD21 LEU 56 3HD2 LEU 56 11.075 2.231 3.348 446 HD22 LEU 56 1HD2 LEU 56 12.160 1.259 4.346 447 HD23 LEU 56 2HD2 LEU 56 10.503 0.686 4.016 448 H LEU 57 H LEU 57 15.128 -2.750 2.382 449 HA LEU 57 HA LEU 57 13.993 -5.397 2.993 450 HB2 LEU 57 2HB LEU 57 16.416 -4.329 1.515 451 HB3 LEU 57 3HB LEU 57 16.309 -6.028 1.880 452 HG LEU 57 HG LEU 57 14.001 -4.670 0.464 453 HD11 LEU 57 1HD1 LEU 57 16.345 -4.388 -0.746 454 HD12 LEU 57 2HD1 LEU 57 14.932 -4.947 -1.647 455 HD13 LEU 57 3HD1 LEU 57 16.161 -6.108 -1.088 456 HD21 LEU 57 3HD2 LEU 57 13.599 -6.907 -0.451 457 HD22 LEU 57 1HD2 LEU 57 13.602 -6.934 1.326 458 HD23 LEU 57 2HD2 LEU 57 15.002 -7.544 0.428 459 H ALA 58 H ALA 58 16.655 -3.280 4.122 460 HA ALA 58 HA ALA 58 17.706 -5.263 5.968 461 HB1 ALA 58 1HB ALA 58 18.395 -2.347 5.495 462 HB2 ALA 58 2HB ALA 58 19.332 -3.489 6.491 463 HB3 ALA 58 3HB ALA 58 19.201 -3.741 4.741 464 H ALA 59 H ALA 59 14.960 -3.529 6.070 465 HA ALA 59 HA ALA 59 15.042 -2.302 8.718 466 HB1 ALA 59 1HB ALA 59 12.544 -2.177 8.206 467 HB2 ALA 59 2HB ALA 59 13.577 -1.388 6.977 468 HB3 ALA 59 3HB ALA 59 12.858 -2.994 6.697 469 H SER 60 H SER 60 13.885 -3.173 10.572 470 HA SER 60 HA SER 60 13.071 -6.036 10.325 471 HB2 SER 60 2HB SER 60 15.246 -5.695 11.489 472 HB3 SER 60 3HB SER 60 14.385 -4.768 12.734 473 HG SER 60 HG SER 60 13.994 -7.501 11.969 474 H HIS 61 H HIS 61 11.005 -5.481 9.871 475 HA HIS 61 HA HIS 61 9.398 -4.378 12.111 476 HB2 HIS 61 2HB HIS 61 9.543 -3.055 9.733 477 HB3 HIS 61 3HB HIS 61 8.362 -4.241 9.307 478 HD1 HIS 61 1HD HIS 61 6.463 -4.383 11.847 479 HD2 HIS 61 2HD HIS 61 8.238 -0.875 10.287 480 HE1 HIS 61 1HE HIS 61 5.004 -2.481 12.546 481 H HIS 62 H HIS 62 8.062 -5.987 12.886 482 HA HIS 62 HA HIS 62 7.993 -8.584 11.851 483 HB2 HIS 62 2HB HIS 62 6.230 -8.922 13.502 484 HB3 HIS 62 3HB HIS 62 7.494 -7.908 14.183 485 HD1 HIS 62 1HD HIS 62 6.652 -5.485 15.044 486 HD2 HIS 62 2HD HIS 62 3.941 -7.686 12.703 487 HE1 HIS 62 1HE HIS 62 4.503 -4.082 14.886 488 H LEU 63 H LEU 63 6.560 -5.918 10.386 489 HA LEU 63 HA LEU 63 4.178 -7.330 9.333 490 HB2 LEU 63 2HB LEU 63 5.069 -4.425 9.178 491 HB3 LEU 63 3HB LEU 63 3.646 -5.101 8.379 492 HG LEU 63 HG LEU 63 4.051 -4.950 11.338 493 HD11 LEU 63 1HD1 LEU 63 2.225 -3.329 9.531 494 HD12 LEU 63 2HD1 LEU 63 3.710 -2.742 10.308 495 HD13 LEU 63 3HD1 LEU 63 2.326 -3.227 11.312 496 HD21 LEU 63 3HD2 LEU 63 1.588 -5.534 11.418 497 HD22 LEU 63 1HD2 LEU 63 2.574 -6.853 10.776 498 HD23 LEU 63 2HD2 LEU 63 1.642 -5.832 9.671 499 H ILE 64 H ILE 64 7.481 -6.485 8.382 500 HA ILE 64 HA ILE 64 6.768 -6.512 5.531 501 HB ILE 64 HB ILE 64 9.384 -6.125 7.047 502 HG12 ILE 64 2HG1 ILE 64 7.562 -4.235 5.519 503 HG13 ILE 64 3HG1 ILE 64 7.660 -4.312 7.254 504 HG21 ILE 64 1HG2 ILE 64 9.886 -7.086 4.814 505 HG22 ILE 64 2HG2 ILE 64 8.889 -5.828 4.042 506 HG23 ILE 64 3HG2 ILE 64 10.396 -5.425 4.902 507 HD11 ILE 64 3HD1 ILE 64 8.891 -2.421 6.543 508 HD12 ILE 64 1HD1 ILE 64 10.078 -3.624 7.106 509 HD13 ILE 64 2HD1 ILE 64 9.825 -3.342 5.357 510 H SER 65 H SER 65 7.247 -8.158 4.168 511 HA SER 65 HA SER 65 7.831 -10.823 5.231 512 HB2 SER 65 2HB SER 65 7.212 -9.833 2.417 513 HB3 SER 65 3HB SER 65 7.247 -11.527 2.917 514 HG SER 65 HG SER 65 5.490 -11.252 4.135 515 H SER 66 H SER 66 9.421 -12.215 4.277 516 HA SER 66 HA SER 66 12.038 -11.295 4.167 517 HB2 SER 66 2HB SER 66 11.239 -13.595 4.636 518 HB3 SER 66 3HB SER 66 10.835 -13.809 2.929 519 HG SER 66 HG SER 66 13.235 -13.976 4.229 520 H ASP 67 H ASP 67 9.708 -11.574 1.515 521 HA ASP 67 HA ASP 67 11.523 -11.269 -0.703 522 HB2 ASP 67 2HB ASP 67 8.539 -10.693 -0.491 523 HB3 ASP 67 3HB ASP 67 9.440 -10.993 -1.985 524 H GLY 68 H GLY 68 10.808 -9.055 1.680 525 HA2 GLY 68 2HA GLY 68 10.994 -6.860 1.881 526 HA3 GLY 68 3HA GLY 68 11.571 -6.740 0.181 527 H VAL 69 H VAL 69 8.526 -7.677 1.871 528 HA VAL 69 HA VAL 69 7.044 -5.871 0.031 529 HB VAL 69 HB VAL 69 6.188 -8.627 0.977 530 HG11 VAL 69 1HG1 VAL 69 4.291 -7.071 0.808 531 HG12 VAL 69 2HG1 VAL 69 4.788 -6.626 -0.845 532 HG13 VAL 69 3HG1 VAL 69 4.258 -8.277 -0.488 533 HG21 VAL 69 3HG2 VAL 69 6.315 -9.339 -1.327 534 HG22 VAL 69 1HG2 VAL 69 6.750 -7.714 -1.872 535 HG23 VAL 69 2HG2 VAL 69 7.888 -8.651 -0.915 536 H ILE 70 H ILE 70 6.000 -4.371 1.138 537 HA ILE 70 HA ILE 70 5.877 -4.519 4.094 538 HB ILE 70 HB ILE 70 5.566 -2.315 2.032 539 HG12 ILE 70 2HG1 ILE 70 7.189 -2.288 4.597 540 HG13 ILE 70 3HG1 ILE 70 7.810 -3.106 3.167 541 HG21 ILE 70 1HG2 ILE 70 5.051 -0.760 3.976 542 HG22 ILE 70 2HG2 ILE 70 3.727 -1.853 3.535 543 HG23 ILE 70 3HG2 ILE 70 4.745 -2.177 4.948 544 HD11 ILE 70 3HD1 ILE 70 7.076 -0.149 3.320 545 HD12 ILE 70 1HD1 ILE 70 8.702 -0.843 3.395 546 HD13 ILE 70 2HD1 ILE 70 7.751 -1.001 1.907 547 H VAL 71 H VAL 71 4.145 -5.433 4.942 548 HA VAL 71 HA VAL 71 1.553 -5.420 3.462 549 HB VAL 71 HB VAL 71 2.547 -7.328 5.603 550 HG11 VAL 71 1HG1 VAL 71 0.136 -7.184 5.641 551 HG12 VAL 71 2HG1 VAL 71 0.057 -7.228 3.862 552 HG13 VAL 71 3HG1 VAL 71 0.579 -8.663 4.774 553 HG21 VAL 71 3HG2 VAL 71 2.336 -7.695 2.578 554 HG22 VAL 71 1HG2 VAL 71 3.838 -7.701 3.533 555 HG23 VAL 71 2HG2 VAL 71 2.668 -8.992 3.745 556 H ILE 72 H ILE 72 -0.255 -4.503 4.572 557 HA ILE 72 HA ILE 72 0.044 -3.604 7.379 558 HB ILE 72 HB ILE 72 -0.818 -1.759 5.120 559 HG12 ILE 72 2HG1 ILE 72 1.809 -1.803 6.651 560 HG13 ILE 72 3HG1 ILE 72 1.562 -2.082 4.921 561 HG21 ILE 72 1HG2 ILE 72 -1.965 -1.227 7.235 562 HG22 ILE 72 2HG2 ILE 72 -0.392 -1.118 8.068 563 HG23 ILE 72 3HG2 ILE 72 -0.854 0.028 6.798 564 HD11 ILE 72 3HD1 ILE 72 0.584 0.339 4.898 565 HD12 ILE 72 1HD1 ILE 72 1.494 0.512 6.406 566 HD13 ILE 72 2HD1 ILE 72 2.335 0.043 4.896 567 H LYS 73 H LYS 73 -2.098 -3.316 8.359 568 HA LYS 73 HA LYS 73 -4.412 -4.216 6.784 569 HB2 LYS 73 2HB LYS 73 -3.701 -5.342 9.526 570 HB3 LYS 73 3HB LYS 73 -5.109 -5.726 8.522 571 HG2 LYS 73 2HG LYS 73 -3.442 -6.530 6.753 572 HG3 LYS 73 3HG LYS 73 -2.182 -6.375 7.981 573 HD2 LYS 73 2HD LYS 73 -3.434 -7.880 9.480 574 HD3 LYS 73 3HD LYS 73 -4.632 -8.185 8.195 575 HE2 LYS 73 2HE LYS 73 -2.996 -9.264 6.813 576 HE3 LYS 73 3HE LYS 73 -1.659 -8.605 7.744 577 HZ1 LYS 73 3HZ LYS 73 -1.928 -10.866 8.268 578 HZ2 LYS 73 1HZ LYS 73 -3.510 -10.731 8.633 579 HZ3 LYS 73 2HZ LYS 73 -2.358 -10.024 9.601 580 H ALA 74 H ALA 74 -5.285 -2.152 6.820 581 HA ALA 74 HA ALA 74 -5.593 -0.701 9.393 582 HB1 ALA 74 1HB ALA 74 -4.991 0.676 7.447 583 HB2 ALA 74 2HB ALA 74 -6.387 0.035 6.552 584 HB3 ALA 74 3HB ALA 74 -6.635 1.055 7.969 585 H GLN 75 H GLN 75 -7.470 -0.939 10.591 586 HA GLN 75 HA GLN 75 -9.916 -1.938 9.297 587 HB2 GLN 75 2HB GLN 75 -9.113 -3.323 11.845 588 HB3 GLN 75 3HB GLN 75 -10.086 -3.884 10.515 589 HG2 GLN 75 2HG GLN 75 -7.767 -4.019 9.247 590 HG3 GLN 75 3HG GLN 75 -7.067 -3.834 10.844 591 HE21 GLN 75 1HE2 GLN 75 -7.188 -6.080 8.768 592 HE22 GLN 75 2HE2 GLN 75 -7.671 -7.461 9.740 593 H GLU 76 H GLU 76 -11.301 -0.339 9.963 594 HA GLU 76 HA GLU 76 -11.723 0.204 12.799 595 HB2 GLU 76 2HB GLU 76 -10.620 2.378 10.938 596 HB3 GLU 76 3HB GLU 76 -11.556 2.735 12.375 597 HG2 GLU 76 2HG GLU 76 -8.786 1.522 12.253 598 HG3 GLU 76 3HG GLU 76 -9.268 3.093 12.867 599 H TYR 77 H TYR 77 -12.204 1.818 9.630 600 HA TYR 77 HA TYR 77 -14.858 2.574 10.118 601 HB2 TYR 77 2HB TYR 77 -13.552 2.069 7.425 602 HB3 TYR 77 3HB TYR 77 -14.971 3.044 7.737 603 HD1 TYR 77 1HD TYR 77 -11.281 2.859 8.059 604 HD2 TYR 77 2HD TYR 77 -14.794 5.338 8.535 605 HE1 TYR 77 1HE TYR 77 -9.875 4.884 8.118 606 HE2 TYR 77 2HE TYR 77 -13.399 7.339 8.497 607 HH TYR 77 HH TYR 77 -11.123 8.213 8.380 608 H ARG 78 H ARG 78 -16.836 1.767 9.369 609 HA ARG 78 HA ARG 78 -16.902 -1.117 9.130 610 HB2 ARG 78 2HB ARG 78 -19.106 0.966 8.760 611 HB3 ARG 78 3HB ARG 78 -19.397 -0.764 8.849 612 HG2 ARG 78 2HG ARG 78 -18.215 0.932 11.090 613 HG3 ARG 78 3HG ARG 78 -19.905 0.449 10.948 614 HD2 ARG 78 2HD ARG 78 -19.263 -1.928 11.062 615 HD3 ARG 78 3HD ARG 78 -17.556 -1.471 11.232 616 HE ARG 78 HE ARG 78 -18.345 -0.146 13.272 617 HH11 ARG 78 1HH1 ARG 78 -19.702 -3.388 12.362 618 HH12 ARG 78 2HH1 ARG 78 -20.081 -3.730 14.039 619 HH21 ARG 78 1HH2 ARG 78 -18.909 -0.818 15.482 620 HH22 ARG 78 2HH2 ARG 78 -19.661 -2.349 15.686 621 H SER 79 H SER 79 -16.439 1.357 6.772 622 HA SER 79 HA SER 79 -17.527 -0.340 4.587 623 HB2 SER 79 2HB SER 79 -16.487 2.512 4.598 624 HB3 SER 79 3HB SER 79 -17.130 1.660 3.178 625 HG SER 79 HG SER 79 -18.669 2.985 4.219 626 H GLN 80 H GLN 80 -16.291 -1.400 3.184 627 HA GLN 80 HA GLN 80 -13.482 -1.703 3.639 628 HB2 GLN 80 2HB GLN 80 -15.421 -3.331 2.754 629 HB3 GLN 80 3HB GLN 80 -14.872 -2.789 1.176 630 HG2 GLN 80 2HG GLN 80 -12.796 -3.806 1.428 631 HG3 GLN 80 3HG GLN 80 -12.847 -3.717 3.205 632 HE21 GLN 80 1HE2 GLN 80 -12.619 -5.749 3.887 633 HE22 GLN 80 2HE2 GLN 80 -13.668 -7.077 3.491 634 H GLU 81 H GLU 81 -14.698 0.969 2.485 635 HA GLU 81 HA GLU 81 -12.784 1.341 0.250 636 HB2 GLU 81 2HB GLU 81 -15.359 1.423 -0.084 637 HB3 GLU 81 3HB GLU 81 -15.272 2.995 0.715 638 HG2 GLU 81 2HG GLU 81 -13.603 3.719 -0.993 639 HG3 GLU 81 3HG GLU 81 -13.669 2.131 -1.735 640 H LEU 82 H LEU 82 -13.664 2.311 3.468 641 HA LEU 82 HA LEU 82 -12.121 4.874 3.300 642 HB2 LEU 82 2HB LEU 82 -13.657 3.647 5.611 643 HB3 LEU 82 3HB LEU 82 -12.967 5.265 5.549 644 HG LEU 82 HG LEU 82 -15.270 4.216 3.881 645 HD11 LEU 82 1HD1 LEU 82 -15.227 6.223 6.150 646 HD12 LEU 82 2HD1 LEU 82 -15.874 4.564 6.218 647 HD13 LEU 82 3HD1 LEU 82 -16.655 5.771 5.184 648 HD21 LEU 82 3HD2 LEU 82 -14.085 6.999 3.962 649 HD22 LEU 82 1HD2 LEU 82 -15.590 6.558 3.137 650 HD23 LEU 82 2HD2 LEU 82 -14.048 5.892 2.575 651 H ASN 83 H ASN 83 -11.919 1.577 4.426 652 HA ASN 83 HA ASN 83 -9.740 2.018 6.314 653 HB2 ASN 83 2HB ASN 83 -10.756 -0.488 4.907 654 HB3 ASN 83 3HB ASN 83 -9.372 -0.485 6.002 655 HD21 ASN 83 1HD2 ASN 83 -12.965 -0.216 5.910 656 HD22 ASN 83 2HD2 ASN 83 -13.079 -0.451 7.620 657 H ARG 84 H ARG 84 -9.936 1.615 2.820 658 HA ARG 84 HA ARG 84 -7.227 0.811 2.417 659 HB2 ARG 84 2HB ARG 84 -7.524 1.706 0.100 660 HB3 ARG 84 3HB ARG 84 -8.500 0.341 0.611 661 HG2 ARG 84 2HG ARG 84 -10.466 1.468 0.613 662 HG3 ARG 84 3HG ARG 84 -9.758 3.039 0.992 663 HD2 ARG 84 2HD ARG 84 -9.360 1.603 -1.642 664 HD3 ARG 84 3HD ARG 84 -10.672 2.765 -1.304 665 HE ARG 84 HE ARG 84 -7.810 3.590 -0.920 666 HH11 ARG 84 1HH1 ARG 84 -10.570 3.784 -3.107 667 HH12 ARG 84 2HH1 ARG 84 -10.253 5.469 -3.524 668 HH21 ARG 84 1HH2 ARG 84 -7.279 5.753 -1.773 669 HH22 ARG 84 2HH2 ARG 84 -8.462 6.501 -2.803 670 H GLU 85 H GLU 85 -8.710 4.143 2.388 671 HA GLU 85 HA GLU 85 -6.196 5.361 1.862 672 HB2 GLU 85 2HB GLU 85 -7.261 7.446 2.380 673 HB3 GLU 85 3HB GLU 85 -8.288 6.467 1.322 674 HG2 GLU 85 2HG GLU 85 -9.726 5.872 3.188 675 HG3 GLU 85 3HG GLU 85 -8.645 6.701 4.324 676 H ALA 86 H ALA 86 -7.503 4.048 4.790 677 HA ALA 86 HA ALA 86 -5.909 5.679 6.527 678 HB1 ALA 86 1HB ALA 86 -7.299 3.019 7.020 679 HB2 ALA 86 2HB ALA 86 -6.622 4.081 8.278 680 HB3 ALA 86 3HB ALA 86 -7.964 4.640 7.258 681 H ALA 87 H ALA 87 -5.241 2.701 4.727 682 HA ALA 87 HA ALA 87 -2.889 2.070 6.373 683 HB1 ALA 87 1HB ALA 87 -3.811 0.903 3.746 684 HB2 ALA 87 2HB ALA 87 -2.403 0.355 4.656 685 HB3 ALA 87 3HB ALA 87 -3.993 0.207 5.390 686 H LEU 88 H LEU 88 -3.489 3.946 3.378 687 HA LEU 88 HA LEU 88 -0.783 3.877 2.478 688 HB2 LEU 88 2HB LEU 88 -1.286 5.597 0.994 689 HB3 LEU 88 3HB LEU 88 -2.784 4.721 1.206 690 HG LEU 88 HG LEU 88 -3.198 6.624 3.059 691 HD11 LEU 88 1HD1 LEU 88 -2.400 8.792 2.389 692 HD12 LEU 88 2HD1 LEU 88 -1.486 8.090 1.032 693 HD13 LEU 88 3HD1 LEU 88 -1.001 7.761 2.707 694 HD21 LEU 88 3HD2 LEU 88 -3.580 7.336 0.130 695 HD22 LEU 88 1HD2 LEU 88 -4.613 7.766 1.534 696 HD23 LEU 88 2HD2 LEU 88 -4.537 6.109 0.936 697 H ALA 89 H ALA 89 -2.403 5.761 4.986 698 HA ALA 89 HA ALA 89 -0.334 7.630 5.535 699 HB1 ALA 89 1HB ALA 89 -1.382 7.712 7.816 700 HB2 ALA 89 2HB ALA 89 -2.569 7.877 6.507 701 HB3 ALA 89 3HB ALA 89 -2.401 6.337 7.389 702 H ARG 90 H ARG 90 -1.001 4.390 6.939 703 HA ARG 90 HA ARG 90 1.229 4.309 8.692 704 HB2 ARG 90 2HB ARG 90 -0.412 2.107 7.365 705 HB3 ARG 90 3HB ARG 90 0.729 1.839 8.698 706 HG2 ARG 90 2HG ARG 90 -0.551 3.298 10.154 707 HG3 ARG 90 3HG ARG 90 -1.647 3.756 8.834 708 HD2 ARG 90 2HD ARG 90 -2.569 1.548 8.713 709 HD3 ARG 90 3HD ARG 90 -1.398 0.959 9.894 710 HE ARG 90 HE ARG 90 -3.581 2.983 10.365 711 HH11 ARG 90 1HH1 ARG 90 -1.588 0.413 11.800 712 HH12 ARG 90 2HH1 ARG 90 -1.865 0.949 13.440 713 HH21 ARG 90 1HH2 ARG 90 -4.210 3.430 12.562 714 HH22 ARG 90 2HH2 ARG 90 -3.555 2.496 13.824 715 H LEU 91 H LEU 91 0.793 3.281 5.337 716 HA LEU 91 HA LEU 91 3.329 2.059 4.987 717 HB2 LEU 91 2HB LEU 91 1.513 1.813 3.324 718 HB3 LEU 91 3HB LEU 91 1.576 3.534 2.970 719 HG LEU 91 HG LEU 91 3.846 3.318 2.060 720 HD11 LEU 91 1HD1 LEU 91 4.747 1.423 3.291 721 HD12 LEU 91 2HD1 LEU 91 4.732 1.012 1.572 722 HD13 LEU 91 3HD1 LEU 91 3.470 0.352 2.631 723 HD21 LEU 91 3HD2 LEU 91 1.937 1.301 0.847 724 HD22 LEU 91 1HD2 LEU 91 3.247 2.146 0.018 725 HD23 LEU 91 2HD2 LEU 91 1.846 3.053 0.618 726 H VAL 92 H VAL 92 2.347 5.373 4.210 727 HA VAL 92 HA VAL 92 4.902 6.391 3.475 728 HB VAL 92 HB VAL 92 2.533 7.752 4.839 729 HG11 VAL 92 1HG1 VAL 92 4.916 9.097 3.513 730 HG12 VAL 92 2HG1 VAL 92 3.405 9.918 3.970 731 HG13 VAL 92 3HG1 VAL 92 4.434 9.219 5.219 732 HG21 VAL 92 3HG2 VAL 92 2.234 6.769 2.487 733 HG22 VAL 92 1HG2 VAL 92 1.837 8.466 2.684 734 HG23 VAL 92 2HG2 VAL 92 3.379 8.014 1.956 735 H ALA 93 H ALA 93 3.437 6.009 6.652 736 HA ALA 93 HA ALA 93 5.374 7.491 8.161 737 HB1 ALA 93 1HB ALA 93 3.060 7.043 8.919 738 HB2 ALA 93 2HB ALA 93 3.428 5.319 9.049 739 HB3 ALA 93 3HB ALA 93 4.260 6.481 10.103 740 H MET 94 H MET 94 4.815 3.924 7.946 741 HA MET 94 HA MET 94 7.190 3.307 9.318 742 HB2 MET 94 2HB MET 94 7.010 1.064 8.547 743 HB3 MET 94 3HB MET 94 5.420 1.695 9.054 744 HG2 MET 94 2HG MET 94 4.930 2.144 6.612 745 HG3 MET 94 3HG MET 94 6.403 1.318 6.207 746 HE1 MET 94 3HE MET 94 5.901 -0.851 8.902 747 HE2 MET 94 1HE MET 94 5.133 -2.233 8.137 748 HE3 MET 94 2HE MET 94 6.593 -1.518 7.399 749 H ILE 95 H ILE 95 6.698 3.961 5.798 750 HA ILE 95 HA ILE 95 9.355 3.176 5.082 751 HB ILE 95 HB ILE 95 7.354 5.147 3.871 752 HG12 ILE 95 2HG1 ILE 95 8.487 2.506 2.791 753 HG13 ILE 95 3HG1 ILE 95 7.013 2.604 3.743 754 HG21 ILE 95 1HG2 ILE 95 8.863 5.315 1.876 755 HG22 ILE 95 2HG2 ILE 95 9.630 5.994 3.297 756 HG23 ILE 95 3HG2 ILE 95 10.099 4.381 2.725 757 HD11 ILE 95 3HD1 ILE 95 6.020 4.132 2.033 758 HD12 ILE 95 1HD1 ILE 95 7.457 3.894 1.012 759 HD13 ILE 95 2HD1 ILE 95 6.428 2.523 1.398 760 H LYS 96 H LYS 96 8.004 6.365 6.217 761 HA LYS 96 HA LYS 96 10.538 7.735 6.169 762 HB2 LYS 96 2HB LYS 96 7.881 8.231 7.579 763 HB3 LYS 96 3HB LYS 96 9.261 9.313 7.745 764 HG2 LYS 96 2HG LYS 96 9.323 9.742 5.341 765 HG3 LYS 96 3HG LYS 96 8.021 8.578 5.056 766 HD2 LYS 96 2HD LYS 96 6.493 9.940 6.454 767 HD3 LYS 96 3HD LYS 96 7.785 11.121 6.711 768 HE2 LYS 96 2HE LYS 96 7.920 11.394 4.178 769 HE3 LYS 96 3HE LYS 96 6.509 10.328 4.050 770 HZ1 LYS 96 3HZ LYS 96 5.692 12.544 4.037 771 HZ2 LYS 96 1HZ LYS 96 6.674 12.998 5.259 772 HZ3 LYS 96 2HZ LYS 96 5.383 12.006 5.552 773 H GLU 97 H GLU 97 9.332 5.343 8.374 774 HA GLU 97 HA GLU 97 11.121 6.190 10.557 775 HB2 GLU 97 2HB GLU 97 8.769 4.344 10.204 776 HB3 GLU 97 3HB GLU 97 9.974 3.848 11.361 777 HG2 GLU 97 2HG GLU 97 8.327 4.976 12.586 778 HG3 GLU 97 3HG GLU 97 9.714 6.049 12.540 779 H LEU 98 H LEU 98 11.020 3.901 7.914 780 HA LEU 98 HA LEU 98 13.245 2.264 9.048 781 HB2 LEU 98 2HB LEU 98 11.501 1.971 6.561 782 HB3 LEU 98 3HB LEU 98 12.756 0.832 7.038 783 HG LEU 98 HG LEU 98 10.323 1.515 8.716 784 HD11 LEU 98 1HD1 LEU 98 9.656 0.402 6.647 785 HD12 LEU 98 2HD1 LEU 98 9.451 -0.682 8.035 786 HD13 LEU 98 3HD1 LEU 98 10.843 -0.894 6.939 787 HD21 LEU 98 3HD2 LEU 98 11.772 0.779 10.269 788 HD22 LEU 98 1HD2 LEU 98 12.666 -0.256 9.158 789 HD23 LEU 98 2HD2 LEU 98 11.079 -0.790 9.773 790 H THR 99 H THR 99 12.557 4.515 6.446 791 HA THR 99 HA THR 99 15.007 3.846 4.986 792 HB THR 99 HB THR 99 14.565 5.976 3.688 793 HG1 THR 99 1HG THR 99 12.129 5.912 5.150 794 HG21 THR 99 3HG2 THR 99 13.822 3.838 2.844 795 HG22 THR 99 1HG2 THR 99 12.544 5.042 2.581 796 HG23 THR 99 2HG2 THR 99 12.391 3.876 3.905 797 H THR 100 H THR 100 14.406 5.935 7.695 798 HA THR 100 HA THR 100 17.173 6.741 7.747 799 HB THR 100 HB THR 100 15.715 8.313 6.418 800 HG1 THR 100 1HG THR 100 17.613 8.995 7.597 801 HG21 THR 100 3HG2 THR 100 14.111 9.772 7.449 802 HG22 THR 100 1HG2 THR 100 14.380 9.028 9.047 803 HG23 THR 100 2HG2 THR 100 13.642 8.102 7.733 804 H GLU 101 H GLU 101 17.545 7.836 9.981 805 HA GLU 101 HA GLU 101 15.897 6.442 12.028 806 HB2 GLU 101 2HB GLU 101 18.319 5.743 11.670 807 HB3 GLU 101 3HB GLU 101 18.779 7.367 12.206 808 HG2 GLU 101 2HG GLU 101 17.383 6.888 14.327 809 HG3 GLU 101 3HG GLU 101 17.284 5.213 13.770 810 H LYS 102 H LYS 102 14.861 7.750 13.474 811 HA LYS 102 HA LYS 102 15.681 10.544 13.879 812 HB2 LYS 102 2HB LYS 102 12.944 9.534 12.977 813 HB3 LYS 102 3HB LYS 102 13.145 11.050 13.861 814 HG2 LYS 102 2HG LYS 102 14.884 11.704 12.116 815 HG3 LYS 102 3HG LYS 102 14.290 10.363 11.127 816 HD2 LYS 102 2HD LYS 102 12.117 11.392 10.904 817 HD3 LYS 102 3HD LYS 102 12.444 12.507 12.252 818 HE2 LYS 102 2HE LYS 102 14.386 13.404 10.919 819 HE3 LYS 102 3HE LYS 102 13.760 12.512 9.526 820 HZ1 LYS 102 3HZ LYS 102 13.058 14.866 9.693 821 HZ2 LYS 102 1HZ LYS 102 12.211 14.554 11.043 822 HZ3 LYS 102 2HZ LYS 102 11.766 13.838 9.624 823 H LYS 103 H LYS 103 14.573 11.487 15.746 824 HA LYS 103 HA LYS 103 14.043 9.497 17.909 825 HB2 LYS 103 2HB LYS 103 15.511 12.168 17.896 826 HB3 LYS 103 3HB LYS 103 14.901 11.456 19.386 827 HG2 LYS 103 2HG LYS 103 16.757 9.885 17.547 828 HG3 LYS 103 3HG LYS 103 17.372 11.040 18.735 829 HD2 LYS 103 2HD LYS 103 16.266 9.827 20.565 830 HD3 LYS 103 3HD LYS 103 15.537 8.699 19.417 831 HE2 LYS 103 2HE LYS 103 17.475 7.748 20.628 832 HE3 LYS 103 3HE LYS 103 17.648 7.716 18.875 833 HZ1 LYS 103 3HZ LYS 103 18.849 9.854 20.499 834 HZ2 LYS 103 1HZ LYS 103 19.182 9.446 18.938 835 HZ3 LYS 103 2HZ LYS 103 19.644 8.444 20.134 836 H ALA 104 H ALA 104 12.034 9.693 18.831 837 HA ALA 104 HA ALA 104 10.535 12.216 18.630 838 HB1 ALA 104 1HB ALA 104 9.929 10.956 16.573 839 HB2 ALA 104 2HB ALA 104 9.548 9.524 17.564 840 HB3 ALA 104 3HB ALA 104 8.569 10.998 17.708 841 H ARG 105 H ARG 105 8.388 11.841 19.903 842 HA ARG 105 HA ARG 105 9.083 10.853 22.518 843 HB2 ARG 105 2HB ARG 105 7.704 12.843 22.195 844 HB3 ARG 105 3HB ARG 105 6.462 11.872 21.410 845 HG2 ARG 105 2HG ARG 105 5.922 12.461 23.765 846 HG3 ARG 105 3HG ARG 105 5.919 10.732 23.462 847 HD2 ARG 105 2HD ARG 105 6.948 11.210 25.603 848 HD3 ARG 105 3HD ARG 105 8.118 10.480 24.525 849 HE ARG 105 HE ARG 105 9.343 12.471 24.438 850 HH11 ARG 105 1HH1 ARG 105 6.230 13.158 26.029 851 HH12 ARG 105 2HH1 ARG 105 6.770 14.595 26.787 852 HH21 ARG 105 1HH2 ARG 105 10.091 14.340 25.451 853 HH22 ARG 105 2HH2 ARG 105 8.963 15.397 26.253 854 H ARG 106 H ARG 106 9.527 8.636 22.281 855 HA ARG 106 HA ARG 106 7.775 6.781 21.019 856 HB2 ARG 106 2HB ARG 106 9.143 5.069 21.821 857 HB3 ARG 106 3HB ARG 106 10.213 6.413 21.519 858 HG2 ARG 106 2HG ARG 106 9.200 5.632 24.292 859 HG3 ARG 106 3HG ARG 106 10.686 5.040 23.581 860 HD2 ARG 106 2HD ARG 106 11.497 7.402 23.341 861 HD3 ARG 106 3HD ARG 106 10.042 7.933 24.205 862 HE ARG 106 HE ARG 106 11.537 5.923 25.663 863 HH11 ARG 106 1HH1 ARG 106 11.550 9.410 24.832 864 HH12 ARG 106 2HH1 ARG 106 12.278 9.856 26.355 865 HH21 ARG 106 1HH2 ARG 106 12.466 6.678 27.748 866 HH22 ARG 106 2HH2 ARG 106 12.525 8.397 28.016 867 HA PRO 107 HA PRO 107 4.624 6.319 24.059 868 HB2 PRO 107 2HB PRO 107 3.660 3.795 23.672 869 HB3 PRO 107 3HB PRO 107 3.478 5.100 22.459 870 HG2 PRO 107 2HG PRO 107 5.623 2.945 22.562 871 HG3 PRO 107 3HG PRO 107 4.580 3.394 21.176 872 HD2 PRO 107 2HD PRO 107 7.077 4.408 21.418 873 HD3 PRO 107 3HD PRO 107 5.733 5.441 20.849 874 H THR 108 H THR 108 7.457 4.308 24.332 875 HA THR 108 HA THR 108 8.507 3.267 25.948 876 HB THR 108 HB THR 108 8.198 3.946 28.312 877 HG1 THR 108 1HG THR 108 5.894 5.023 27.256 878 HG21 THR 108 3HG2 THR 108 8.271 6.323 26.414 879 HG22 THR 108 1HG2 THR 108 9.639 5.234 26.763 880 HG23 THR 108 2HG2 THR 108 8.943 6.216 28.050 881 H ARG 109 H ARG 109 5.198 2.599 25.695 882 HA ARG 109 HA ARG 109 4.744 0.715 27.711 883 HB2 ARG 109 2HB ARG 109 3.066 1.785 26.142 884 HB3 ARG 109 3HB ARG 109 3.729 0.821 24.834 885 HG2 ARG 109 2HG ARG 109 1.852 -0.338 25.283 886 HG3 ARG 109 3HG ARG 109 2.958 -1.255 26.266 887 HD2 ARG 109 2HD ARG 109 1.071 0.933 27.256 888 HD3 ARG 109 3HD ARG 109 0.753 -0.802 27.303 889 HE ARG 109 HE ARG 109 3.191 -0.226 28.709 890 HH11 ARG 109 1HH1 ARG 109 -0.359 -0.260 29.043 891 HH12 ARG 109 2HH1 ARG 109 -0.283 -0.353 30.758 892 HH21 ARG 109 1HH2 ARG 109 3.217 -0.158 30.970 893 HH22 ARG 109 2HH2 ARG 109 1.771 -0.155 31.919 894 H SER 110 H SER 110 4.823 -1.552 27.733 895 HA SER 110 HA SER 110 6.431 -3.028 25.758 896 HB2 SER 110 2HB SER 110 7.529 -4.147 27.763 897 HB3 SER 110 3HB SER 110 8.034 -2.504 27.356 898 HG SER 110 HG SER 110 7.808 -2.532 29.466 899 H GLY 111 H GLY 111 6.173 -5.566 26.901 900 HA2 GLY 111 2HA GLY 111 4.688 -7.287 27.207 901 HA3 GLY 111 3HA GLY 111 3.567 -6.123 27.918 902 HA PRO 112 HA PRO 112 2.544 -5.966 23.244 903 HB2 PRO 112 2HB PRO 112 3.943 -7.349 21.378 904 HB3 PRO 112 3HB PRO 112 4.586 -5.870 22.135 905 HG2 PRO 112 2HG PRO 112 5.120 -8.745 22.993 906 HG3 PRO 112 3HG PRO 112 6.331 -7.490 22.567 907 HD2 PRO 112 2HD PRO 112 5.566 -7.941 25.130 908 HD3 PRO 112 3HD PRO 112 5.895 -6.279 24.552 909 H SER 113 H SER 113 2.343 -8.592 25.237 910 HA SER 113 HA SER 113 0.712 -10.210 23.335 911 HB2 SER 113 2HB SER 113 2.554 -11.546 24.030 912 HB3 SER 113 3HB SER 113 2.472 -10.966 25.695 913 HG SER 113 HG SER 113 1.577 -13.046 25.406 914 H SER 114 H SER 114 -1.321 -10.866 24.115 915 HA SER 114 HA SER 114 -2.612 -9.004 25.919 916 HB2 SER 114 2HB SER 114 -3.737 -10.036 23.982 917 HB3 SER 114 3HB SER 114 -3.550 -11.642 24.704 918 HG SER 114 HG SER 114 -5.170 -11.305 25.945 919 H GLY 115 H GLY 115 -0.892 -12.032 26.263 920 HA2 GLY 115 2HA GLY 115 -1.788 -12.428 29.064 921 HA3 GLY 115 3HA GLY 115 -1.141 -13.666 27.975 922 H GLU 116 H GLU 116 0.414 -14.183 29.590 923 HA GLU 116 HA GLU 116 2.539 -12.206 30.230 924 HB2 GLU 116 2HB GLU 116 1.610 -13.512 32.048 925 HB3 GLU 116 3HB GLU 116 1.843 -15.011 31.154 926 HG2 GLU 116 2HG GLU 116 4.328 -14.639 31.258 927 HG3 GLU 116 3HG GLU 116 4.014 -13.226 32.262 928 H ASN 117 H ASN 117 2.129 -15.541 28.999 929 HA ASN 117 HA ASN 117 4.705 -15.354 27.494 930 HB2 ASN 117 2HB ASN 117 3.159 -17.667 28.733 931 HB3 ASN 117 3HB ASN 117 4.243 -17.931 27.370 932 HD21 ASN 117 1HD2 ASN 117 5.493 -19.330 28.883 933 HD22 ASN 117 2HD2 ASN 117 6.710 -18.540 29.870 934 H LEU 118 H LEU 118 4.681 -16.052 25.296 935 HA LEU 118 HA LEU 118 2.223 -16.812 23.969 936 HB2 LEU 118 2HB LEU 118 1.880 -14.384 24.190 937 HB3 LEU 118 3HB LEU 118 3.448 -14.073 23.439 938 HG LEU 118 HG LEU 118 2.571 -15.168 21.334 939 HD11 LEU 118 1HD1 LEU 118 0.091 -15.408 21.124 940 HD12 LEU 118 2HD1 LEU 118 -0.077 -15.110 22.867 941 HD13 LEU 118 3HD1 LEU 118 0.762 -16.562 22.278 942 HD21 LEU 118 3HD2 LEU 118 0.966 -12.809 22.399 943 HD22 LEU 118 1HD2 LEU 118 1.184 -13.244 20.688 944 HD23 LEU 118 2HD2 LEU 118 2.582 -12.733 21.656 945 H TYR 119 H TYR 119 2.963 -18.268 22.531 946 HA TYR 119 HA TYR 119 5.788 -18.356 21.804 947 HB2 TYR 119 2HB TYR 119 4.212 -20.345 22.229 948 HB3 TYR 119 3HB TYR 119 3.460 -19.979 20.685 949 HD1 TYR 119 1HD TYR 119 6.668 -20.848 22.358 950 HD2 TYR 119 2HD TYR 119 4.533 -20.734 18.607 951 HE1 TYR 119 1HE TYR 119 8.500 -22.090 21.294 952 HE2 TYR 119 2HE TYR 119 6.355 -22.017 17.536 953 HH TYR 119 HH TYR 119 8.539 -22.821 17.795 954 H PHE 120 H PHE 120 6.439 -18.416 19.431 955 HA PHE 120 HA PHE 120 4.627 -16.915 17.622 956 HB2 PHE 120 2HB PHE 120 7.548 -16.241 18.169 957 HB3 PHE 120 3HB PHE 120 6.599 -15.622 16.831 958 HD1 PHE 120 2HD PHE 120 7.005 -15.557 20.511 959 HD2 PHE 120 1HD PHE 120 4.996 -13.806 17.117 960 HE1 PHE 120 2HE PHE 120 6.288 -13.652 21.912 961 HE2 PHE 120 1HE PHE 120 4.269 -11.908 18.539 962 HZ PHE 120 HZ PHE 120 4.936 -11.858 20.970 963 H GLN 121 H GLN 121 4.464 -18.032 15.780 964 HA GLN 121 HA GLN 121 6.684 -19.757 14.876 965 HB2 GLN 121 2HB GLN 121 5.118 -21.462 14.221 966 HB3 GLN 121 3HB GLN 121 5.005 -21.152 15.945 967 HG2 GLN 121 2HG GLN 121 2.949 -19.734 15.492 968 HG3 GLN 121 3HG GLN 121 3.043 -20.243 13.806 969 HE21 GLN 121 1HE2 GLN 121 1.770 -22.022 13.339 970 HE22 GLN 121 2HE2 GLN 121 1.280 -23.225 14.534 Start of MODEL 15 1 H1 MET 1 H MET 1 -0.714 9.291 -4.619 2 HA MET 1 HA MET 1 1.213 9.331 -6.018 3 HB2 MET 1 2HB MET 1 1.446 12.247 -5.228 4 HB3 MET 1 3HB MET 1 2.761 11.352 -5.907 5 HG2 MET 1 2HG MET 1 0.201 11.909 -7.341 6 HG3 MET 1 3HG MET 1 1.812 12.483 -7.716 7 HE1 MET 1 3HE MET 1 3.830 10.892 -8.542 8 HE2 MET 1 1HE MET 1 3.573 9.654 -7.282 9 HE3 MET 1 2HE MET 1 3.611 9.183 -8.990 10 H ILE 2 H ILE 2 0.603 9.649 -2.617 11 HA ILE 2 HA ILE 2 1.952 9.432 -0.837 12 HB ILE 2 HB ILE 2 3.076 7.154 -2.502 13 HG12 ILE 2 2HG1 ILE 2 0.378 7.230 -1.066 14 HG13 ILE 2 3HG1 ILE 2 0.587 7.280 -2.809 15 HG21 ILE 2 1HG2 ILE 2 3.804 7.611 -0.029 16 HG22 ILE 2 2HG2 ILE 2 2.182 7.088 0.395 17 HG23 ILE 2 3HG2 ILE 2 3.319 5.984 -0.423 18 HD11 ILE 2 3HD1 ILE 2 1.724 4.918 -1.299 19 HD12 ILE 2 1HD1 ILE 2 0.006 5.025 -1.620 20 HD13 ILE 2 2HD1 ILE 2 1.166 5.036 -2.969 21 H VAL 3 H VAL 3 3.076 11.505 -2.055 22 HA VAL 3 HA VAL 3 5.855 11.126 -2.760 23 HB VAL 3 HB VAL 3 4.434 13.607 -1.955 24 HG11 VAL 3 1HG1 VAL 3 7.078 13.371 -3.367 25 HG12 VAL 3 2HG1 VAL 3 6.198 14.893 -3.126 26 HG13 VAL 3 3HG1 VAL 3 6.824 14.008 -1.735 27 HG21 VAL 3 3HG2 VAL 3 3.503 12.529 -4.025 28 HG22 VAL 3 1HG2 VAL 3 3.878 14.251 -4.021 29 HG23 VAL 3 2HG2 VAL 3 4.971 13.132 -4.819 30 H ILE 4 H ILE 4 7.128 10.217 -1.420 31 HA ILE 4 HA ILE 4 7.109 10.677 1.487 32 HB ILE 4 HB ILE 4 9.179 9.137 -0.105 33 HG12 ILE 4 2HG1 ILE 4 7.084 8.091 -0.745 34 HG13 ILE 4 3HG1 ILE 4 8.033 7.048 0.288 35 HG21 ILE 4 1HG2 ILE 4 9.455 7.903 2.030 36 HG22 ILE 4 2HG2 ILE 4 9.841 9.599 2.178 37 HG23 ILE 4 3HG2 ILE 4 8.300 8.996 2.809 38 HD11 ILE 4 3HD1 ILE 4 5.598 8.656 1.127 39 HD12 ILE 4 1HD1 ILE 4 5.699 6.896 0.883 40 HD13 ILE 4 2HD1 ILE 4 6.573 7.636 2.229 41 H SER 5 H SER 5 9.057 11.543 -1.413 42 HA SER 5 HA SER 5 10.393 13.678 0.048 43 HB2 SER 5 2HB SER 5 11.757 11.531 0.437 44 HB3 SER 5 3HB SER 5 12.045 11.492 -1.305 45 HG SER 5 HG SER 5 13.708 12.545 -0.047 46 H ARG 6 H ARG 6 11.899 14.802 -1.571 47 HA ARG 6 HA ARG 6 10.570 15.831 -3.750 48 HB2 ARG 6 2HB ARG 6 12.539 16.747 -2.569 49 HB3 ARG 6 3HB ARG 6 13.560 15.504 -3.295 50 HG2 ARG 6 2HG ARG 6 13.097 16.526 -5.544 51 HG3 ARG 6 3HG ARG 6 12.189 17.820 -4.714 52 HD2 ARG 6 2HD ARG 6 14.197 18.377 -3.374 53 HD3 ARG 6 3HD ARG 6 15.088 17.053 -4.139 54 HE ARG 6 HE ARG 6 14.000 19.300 -5.762 55 HH11 ARG 6 1HH1 ARG 6 16.969 17.818 -4.351 56 HH12 ARG 6 2HH1 ARG 6 17.978 18.624 -5.484 57 HH21 ARG 6 1HH2 ARG 6 15.495 20.260 -7.285 58 HH22 ARG 6 2HH2 ARG 6 17.196 19.977 -7.048 59 H HIS 7 H HIS 7 12.627 12.915 -3.730 60 HA HIS 7 HA HIS 7 12.035 12.478 -6.620 61 HB2 HIS 7 2HB HIS 7 14.390 11.588 -4.939 62 HB3 HIS 7 3HB HIS 7 14.112 11.138 -6.621 63 HD1 HIS 7 1HD HIS 7 14.654 12.975 -8.483 64 HD2 HIS 7 2HD HIS 7 15.047 14.236 -4.480 65 HE1 HIS 7 1HE HIS 7 15.576 15.331 -8.567 66 H VAL 8 H VAL 8 10.757 11.425 -3.743 67 HA VAL 8 HA VAL 8 10.256 8.689 -4.818 68 HB VAL 8 HB VAL 8 10.614 9.556 -1.943 69 HG11 VAL 8 1HG1 VAL 8 10.418 7.109 -1.469 70 HG12 VAL 8 2HG1 VAL 8 8.921 7.781 -2.123 71 HG13 VAL 8 3HG1 VAL 8 9.994 6.847 -3.175 72 HG21 VAL 8 3HG2 VAL 8 12.779 9.402 -3.081 73 HG22 VAL 8 1HG2 VAL 8 12.571 7.999 -2.021 74 HG23 VAL 8 2HG2 VAL 8 12.328 7.834 -3.774 75 H ALA 9 H ALA 9 8.207 8.588 -5.519 76 HA ALA 9 HA ALA 9 5.943 9.289 -3.830 77 HB1 ALA 9 1HB ALA 9 4.928 10.845 -5.452 78 HB2 ALA 9 2HB ALA 9 6.373 11.497 -4.748 79 HB3 ALA 9 3HB ALA 9 6.426 10.830 -6.411 80 H ILE 10 H ILE 10 4.476 7.736 -4.178 81 HA ILE 10 HA ILE 10 4.764 5.864 -6.476 82 HB ILE 10 HB ILE 10 3.227 5.378 -3.908 83 HG12 ILE 10 2HG1 ILE 10 6.132 4.626 -4.430 84 HG13 ILE 10 3HG1 ILE 10 5.559 5.804 -3.244 85 HG21 ILE 10 1HG2 ILE 10 3.377 3.014 -4.565 86 HG22 ILE 10 2HG2 ILE 10 2.674 3.917 -5.865 87 HG23 ILE 10 3HG2 ILE 10 4.388 3.431 -5.958 88 HD11 ILE 10 3HD1 ILE 10 4.295 3.955 -2.087 89 HD12 ILE 10 1HD1 ILE 10 5.116 2.810 -3.175 90 HD13 ILE 10 2HD1 ILE 10 6.077 3.798 -2.072 91 HA PRO 11 HA PRO 11 0.929 7.652 -7.958 92 HB2 PRO 11 2HB PRO 11 0.211 5.854 -9.904 93 HB3 PRO 11 3HB PRO 11 1.608 6.960 -10.059 94 HG2 PRO 11 2HG PRO 11 1.614 4.085 -9.059 95 HG3 PRO 11 3HG PRO 11 2.594 4.784 -10.384 96 HD2 PRO 11 2HD PRO 11 3.631 4.594 -7.923 97 HD3 PRO 11 3HD PRO 11 3.878 6.099 -8.847 98 H ASP 12 H ASP 12 0.919 5.166 -5.844 99 HA ASP 12 HA ASP 12 -0.610 4.189 -4.516 100 HB2 ASP 12 2HB ASP 12 -2.781 5.790 -5.925 101 HB3 ASP 12 3HB ASP 12 -2.965 4.837 -4.487 102 H GLY 13 H GLY 13 -0.747 3.862 -7.935 103 HA2 GLY 13 2HA GLY 13 -2.578 1.562 -7.916 104 HA3 GLY 13 3HA GLY 13 -1.933 2.416 -9.308 105 H GLU 14 H GLU 14 0.783 2.142 -7.639 106 HA GLU 14 HA GLU 14 1.676 -0.264 -9.034 107 HB2 GLU 14 2HB GLU 14 2.927 1.965 -7.438 108 HB3 GLU 14 3HB GLU 14 3.858 0.486 -7.615 109 HG2 GLU 14 2HG GLU 14 2.656 1.856 -10.041 110 HG3 GLU 14 3HG GLU 14 4.197 2.360 -9.359 111 H LEU 15 H LEU 15 -0.040 0.098 -6.283 112 HA LEU 15 HA LEU 15 1.393 -1.917 -4.639 113 HB2 LEU 15 2HB LEU 15 -1.073 -0.316 -3.875 114 HB3 LEU 15 3HB LEU 15 0.090 -1.176 -2.854 115 HG LEU 15 HG LEU 15 0.599 1.415 -4.440 116 HD11 LEU 15 1HD1 LEU 15 0.649 1.082 -1.423 117 HD12 LEU 15 2HD1 LEU 15 -0.732 1.748 -2.340 118 HD13 LEU 15 3HD1 LEU 15 0.867 2.541 -2.354 119 HD21 LEU 15 3HD2 LEU 15 2.779 1.434 -3.121 120 HD22 LEU 15 1HD2 LEU 15 2.678 0.162 -4.336 121 HD23 LEU 15 2HD2 LEU 15 2.398 -0.217 -2.630 122 H GLU 16 H GLU 16 -0.001 -3.473 -3.473 123 HA GLU 16 HA GLU 16 -2.254 -4.461 -5.198 124 HB2 GLU 16 2HB GLU 16 -0.213 -5.883 -5.347 125 HB3 GLU 16 3HB GLU 16 -0.311 -6.174 -3.609 126 HG2 GLU 16 2HG GLU 16 -1.379 -8.036 -4.683 127 HG3 GLU 16 3HG GLU 16 -2.673 -7.055 -3.972 128 H ILE 17 H ILE 17 -3.890 -3.574 -4.143 129 HA ILE 17 HA ILE 17 -4.133 -3.781 -1.206 130 HB ILE 17 HB ILE 17 -5.804 -2.309 -3.236 131 HG12 ILE 17 2HG1 ILE 17 -3.849 -1.021 -1.281 132 HG13 ILE 17 3HG1 ILE 17 -3.304 -1.534 -2.869 133 HG21 ILE 17 1HG2 ILE 17 -5.727 -2.152 -0.192 134 HG22 ILE 17 2HG2 ILE 17 -6.651 -1.060 -1.223 135 HG23 ILE 17 3HG2 ILE 17 -7.086 -2.766 -1.178 136 HD11 ILE 17 3HD1 ILE 17 -3.855 0.698 -3.154 137 HD12 ILE 17 1HD1 ILE 17 -5.173 -0.216 -3.908 138 HD13 ILE 17 2HD1 ILE 17 -5.420 0.524 -2.316 139 H THR 18 H THR 18 -5.964 -4.898 -0.279 140 HA THR 18 HA THR 18 -7.704 -6.468 -2.071 141 HB THR 18 HB THR 18 -6.892 -8.288 -0.072 142 HG1 THR 18 1HG THR 18 -4.967 -6.693 -0.196 143 HG21 THR 18 3HG2 THR 18 -5.932 -9.599 -1.940 144 HG22 THR 18 1HG2 THR 18 -6.062 -8.165 -2.993 145 HG23 THR 18 2HG2 THR 18 -7.521 -8.919 -2.304 146 H ALA 19 H ALA 19 -9.459 -7.462 -0.977 147 HA ALA 19 HA ALA 19 -10.298 -6.051 1.473 148 HB1 ALA 19 1HB ALA 19 -11.890 -6.095 -0.427 149 HB2 ALA 19 2HB ALA 19 -11.707 -7.861 -0.551 150 HB3 ALA 19 3HB ALA 19 -12.512 -7.164 0.850 151 H ILE 20 H ILE 20 -10.374 -6.941 3.406 152 HA ILE 20 HA ILE 20 -10.035 -9.885 3.633 153 HB ILE 20 HB ILE 20 -8.852 -9.179 5.844 154 HG12 ILE 20 2HG1 ILE 20 -7.942 -6.829 4.163 155 HG13 ILE 20 3HG1 ILE 20 -9.153 -6.728 5.426 156 HG21 ILE 20 1HG2 ILE 20 -7.879 -10.520 4.050 157 HG22 ILE 20 2HG2 ILE 20 -7.401 -9.037 3.194 158 HG23 ILE 20 3HG2 ILE 20 -6.679 -9.453 4.787 159 HD11 ILE 20 3HD1 ILE 20 -7.542 -7.583 7.086 160 HD12 ILE 20 1HD1 ILE 20 -6.255 -7.551 5.864 161 HD13 ILE 20 2HD1 ILE 20 -7.041 -6.052 6.376 162 H ARG 21 H ARG 21 -10.819 -10.776 5.590 163 HA ARG 21 HA ARG 21 -12.929 -9.202 6.922 164 HB2 ARG 21 2HB ARG 21 -14.577 -10.922 6.601 165 HB3 ARG 21 3HB ARG 21 -13.922 -10.510 5.015 166 HG2 ARG 21 2HG ARG 21 -12.401 -12.519 5.193 167 HG3 ARG 21 3HG ARG 21 -13.225 -12.979 6.688 168 HD2 ARG 21 2HD ARG 21 -14.546 -12.650 3.968 169 HD3 ARG 21 3HD ARG 21 -14.012 -14.182 4.663 170 HE ARG 21 HE ARG 21 -15.697 -13.139 6.594 171 HH11 ARG 21 1HH1 ARG 21 -15.966 -14.292 3.248 172 HH12 ARG 21 2HH1 ARG 21 -17.677 -14.417 3.264 173 HH21 ARG 21 1HH2 ARG 21 -17.877 -13.585 6.763 174 HH22 ARG 21 2HH2 ARG 21 -18.725 -14.372 5.455 175 H ALA 22 H ALA 22 -13.754 -10.326 8.810 176 HA ALA 22 HA ALA 22 -11.751 -11.943 10.274 177 HB1 ALA 22 1HB ALA 22 -11.882 -9.607 11.134 178 HB2 ALA 22 2HB ALA 22 -13.654 -9.772 11.292 179 HB3 ALA 22 3HB ALA 22 -12.572 -10.744 12.290 180 H GLN 23 H GLN 23 -12.854 -13.440 11.750 181 HA GLN 23 HA GLN 23 -15.738 -13.899 11.294 182 HB2 GLN 23 2HB GLN 23 -15.487 -16.183 10.615 183 HB3 GLN 23 3HB GLN 23 -14.620 -15.149 9.495 184 HG2 GLN 23 2HG GLN 23 -12.466 -15.735 10.620 185 HG3 GLN 23 3HG GLN 23 -13.348 -16.796 11.726 186 HE21 GLN 23 1HE2 GLN 23 -11.477 -16.920 9.014 187 HE22 GLN 23 2HE2 GLN 23 -12.059 -18.451 8.421 188 H GLY 24 H GLY 24 -13.732 -13.126 13.529 189 HA2 GLY 24 2HA GLY 24 -13.952 -15.279 15.490 190 HA3 GLY 24 3HA GLY 24 -13.287 -13.667 15.720 191 H ALA 25 H ALA 25 -15.010 -14.807 17.577 192 HA ALA 25 HA ALA 25 -17.673 -13.580 17.183 193 HB1 ALA 25 1HB ALA 25 -18.247 -14.877 19.205 194 HB2 ALA 25 2HB ALA 25 -17.542 -15.943 17.976 195 HB3 ALA 25 3HB ALA 25 -16.565 -15.418 19.366 196 H GLY 26 H GLY 26 -18.501 -12.352 19.054 197 HA2 GLY 26 2HA GLY 26 -16.577 -10.346 19.972 198 HA3 GLY 26 3HA GLY 26 -18.332 -10.383 20.269 199 H GLY 27 H GLY 27 -16.351 -9.847 22.246 200 HA2 GLY 27 2HA GLY 27 -16.969 -11.890 24.277 201 HA3 GLY 27 3HA GLY 27 -15.237 -11.590 23.944 202 H GLN 28 H GLN 28 -14.700 -10.334 25.886 203 HA GLN 28 HA GLN 28 -16.545 -8.285 26.747 204 HB2 GLN 28 2HB GLN 28 -14.869 -9.316 28.269 205 HB3 GLN 28 3HB GLN 28 -13.567 -8.557 27.339 206 HG2 GLN 28 2HG GLN 28 -14.220 -7.322 29.446 207 HG3 GLN 28 3HG GLN 28 -14.254 -6.362 27.973 208 HE21 GLN 28 1HE2 GLN 28 -16.638 -8.506 29.797 209 HE22 GLN 28 2HE2 GLN 28 -17.897 -7.282 29.702 210 H HIS 29 H HIS 29 -13.592 -8.361 24.707 211 HA HIS 29 HA HIS 29 -14.438 -5.922 23.348 212 HB2 HIS 29 2HB HIS 29 -12.890 -5.422 25.400 213 HB3 HIS 29 3HB HIS 29 -11.608 -6.162 24.439 214 HD1 HIS 29 1HD HIS 29 -10.371 -4.391 22.944 215 HD2 HIS 29 2HD HIS 29 -14.350 -3.387 23.999 216 HE1 HIS 29 1HE HIS 29 -10.830 -2.056 22.011 217 H VAL 30 H VAL 30 -12.789 -5.601 21.383 218 HA VAL 30 HA VAL 30 -11.694 -8.153 20.401 219 HB VAL 30 HB VAL 30 -12.796 -7.799 18.248 220 HG11 VAL 30 1HG1 VAL 30 -14.924 -7.801 20.396 221 HG12 VAL 30 2HG1 VAL 30 -15.068 -8.442 18.752 222 HG13 VAL 30 3HG1 VAL 30 -13.970 -9.215 19.922 223 HG21 VAL 30 3HG2 VAL 30 -12.988 -5.377 18.248 224 HG22 VAL 30 1HG2 VAL 30 -14.543 -6.136 17.882 225 HG23 VAL 30 2HG2 VAL 30 -14.251 -5.448 19.495 226 H ASN 31 H ASN 31 -10.477 -7.692 18.327 227 HA ASN 31 HA ASN 31 -9.375 -4.924 18.142 228 HB2 ASN 31 2HB ASN 31 -7.136 -5.661 18.294 229 HB3 ASN 31 3HB ASN 31 -8.006 -6.277 19.703 230 HD21 ASN 31 1HD2 ASN 31 -8.177 -8.507 19.957 231 HD22 ASN 31 2HD2 ASN 31 -7.469 -9.725 18.916 232 H LYS 32 H LYS 32 -10.687 -7.550 16.459 233 HA LYS 32 HA LYS 32 -9.380 -6.674 13.932 234 HB2 LYS 32 2HB LYS 32 -8.534 -8.877 14.980 235 HB3 LYS 32 3HB LYS 32 -10.137 -9.546 14.647 236 HG2 LYS 32 2HG LYS 32 -9.809 -9.097 12.237 237 HG3 LYS 32 3HG LYS 32 -8.247 -8.316 12.591 238 HD2 LYS 32 2HD LYS 32 -7.450 -10.471 13.594 239 HD3 LYS 32 3HD LYS 32 -8.963 -11.238 13.050 240 HE2 LYS 32 2HE LYS 32 -8.399 -10.517 10.717 241 HE3 LYS 32 3HE LYS 32 -6.873 -9.849 11.322 242 HZ1 LYS 32 3HZ LYS 32 -7.639 -12.684 11.501 243 HZ2 LYS 32 1HZ LYS 32 -6.147 -12.018 11.885 244 HZ3 LYS 32 2HZ LYS 32 -6.692 -12.072 10.332 245 H THR 33 H THR 33 -10.932 -6.417 12.209 246 HA THR 33 HA THR 33 -13.708 -7.264 12.841 247 HB THR 33 HB THR 33 -14.451 -4.993 12.014 248 HG1 THR 33 1HG THR 33 -12.618 -3.411 12.612 249 HG21 THR 33 3HG2 THR 33 -14.153 -3.873 14.112 250 HG22 THR 33 1HG2 THR 33 -12.767 -4.891 14.543 251 HG23 THR 33 2HG2 THR 33 -14.394 -5.607 14.438 252 H SER 34 H SER 34 -15.188 -7.108 10.977 253 HA SER 34 HA SER 34 -13.887 -8.246 8.611 254 HB2 SER 34 2HB SER 34 -16.472 -8.247 7.935 255 HB3 SER 34 3HB SER 34 -15.788 -9.452 9.022 256 HG SER 34 HG SER 34 -17.596 -7.426 9.563 257 H THR 35 H THR 35 -14.926 -7.324 6.396 258 HA THR 35 HA THR 35 -14.904 -5.663 4.967 259 HB THR 35 HB THR 35 -15.899 -3.672 7.010 260 HG1 THR 35 1HG THR 35 -17.964 -4.625 6.699 261 HG21 THR 35 3HG2 THR 35 -15.772 -3.130 4.702 262 HG22 THR 35 1HG2 THR 35 -17.484 -3.280 5.093 263 HG23 THR 35 2HG2 THR 35 -16.654 -4.572 4.191 264 H ALA 36 H ALA 36 -12.395 -6.103 6.380 265 HA ALA 36 HA ALA 36 -11.156 -3.464 6.783 266 HB1 ALA 36 1HB ALA 36 -10.357 -6.404 7.172 267 HB2 ALA 36 2HB ALA 36 -9.282 -5.030 7.527 268 HB3 ALA 36 3HB ALA 36 -10.810 -5.250 8.416 269 H ILE 37 H ILE 37 -8.791 -3.319 5.876 270 HA ILE 37 HA ILE 37 -8.665 -4.441 3.122 271 HB ILE 37 HB ILE 37 -8.223 -1.571 3.992 272 HG12 ILE 37 2HG1 ILE 37 -10.550 -2.190 3.263 273 HG13 ILE 37 3HG1 ILE 37 -9.783 -1.010 2.238 274 HG21 ILE 37 1HG2 ILE 37 -7.458 -1.277 1.523 275 HG22 ILE 37 2HG2 ILE 37 -6.292 -1.945 2.663 276 HG23 ILE 37 3HG2 ILE 37 -7.172 -3.001 1.522 277 HD11 ILE 37 3HD1 ILE 37 -9.237 -2.798 0.560 278 HD12 ILE 37 1HD1 ILE 37 -10.105 -3.954 1.585 279 HD13 ILE 37 2HD1 ILE 37 -10.957 -2.594 0.855 280 H HIS 38 H HIS 38 -6.785 -5.062 2.385 281 HA HIS 38 HA HIS 38 -4.474 -5.198 4.230 282 HB2 HIS 38 2HB HIS 38 -5.660 -7.386 3.722 283 HB3 HIS 38 3HB HIS 38 -5.248 -7.181 2.039 284 HD1 HIS 38 1HD HIS 38 -2.515 -7.574 1.453 285 HD2 HIS 38 2HD HIS 38 -3.756 -7.917 5.469 286 HE1 HIS 38 1HE HIS 38 -0.630 -8.724 2.721 287 H LEU 39 H LEU 39 -3.028 -3.804 3.492 288 HA LEU 39 HA LEU 39 -2.839 -3.113 0.577 289 HB2 LEU 39 2HB LEU 39 -3.368 -1.263 1.993 290 HB3 LEU 39 3HB LEU 39 -2.108 -1.678 3.156 291 HG LEU 39 HG LEU 39 -1.358 -0.986 0.321 292 HD11 LEU 39 1HD1 LEU 39 -1.182 1.360 0.788 293 HD12 LEU 39 2HD1 LEU 39 -1.710 1.115 2.461 294 HD13 LEU 39 3HD1 LEU 39 -2.841 0.858 1.116 295 HD21 LEU 39 3HD2 LEU 39 0.644 0.048 1.562 296 HD22 LEU 39 1HD2 LEU 39 0.486 -1.685 1.801 297 HD23 LEU 39 2HD2 LEU 39 -0.035 -0.564 3.072 298 H ARG 40 H ARG 40 -1.044 -4.006 -0.533 299 HA ARG 40 HA ARG 40 1.272 -4.852 1.097 300 HB2 ARG 40 2HB ARG 40 -0.065 -6.750 0.377 301 HB3 ARG 40 3HB ARG 40 -0.048 -6.184 -1.306 302 HG2 ARG 40 2HG ARG 40 2.374 -6.498 -1.461 303 HG3 ARG 40 3HG ARG 40 2.421 -6.858 0.277 304 HD2 ARG 40 2HD ARG 40 2.436 -8.967 -0.602 305 HD3 ARG 40 3HD ARG 40 0.706 -8.716 -0.281 306 HE ARG 40 HE ARG 40 1.210 -7.913 -2.942 307 HH11 ARG 40 1HH1 ARG 40 1.508 -10.902 -1.026 308 HH12 ARG 40 2HH1 ARG 40 1.302 -11.928 -2.421 309 HH21 ARG 40 1HH2 ARG 40 1.021 -9.325 -4.761 310 HH22 ARG 40 2HH2 ARG 40 0.925 -11.030 -4.522 311 H PHE 41 H PHE 41 3.070 -3.931 0.484 312 HA PHE 41 HA PHE 41 3.394 -2.700 -2.200 313 HB2 PHE 41 2HB PHE 41 3.221 -0.991 -0.469 314 HB3 PHE 41 3HB PHE 41 4.388 -1.828 0.534 315 HD1 PHE 41 2HD PHE 41 4.327 -0.876 -3.100 316 HD2 PHE 41 1HD PHE 41 6.249 -0.465 0.704 317 HE1 PHE 41 2HE PHE 41 6.060 0.567 -4.165 318 HE2 PHE 41 1HE PHE 41 8.002 0.960 -0.335 319 HZ PHE 41 HZ PHE 41 7.884 1.483 -2.793 320 H ASP 42 H ASP 42 4.598 -4.241 -3.302 321 HA ASP 42 HA ASP 42 6.766 -5.695 -1.961 322 HB2 ASP 42 2HB ASP 42 7.145 -6.610 -4.343 323 HB3 ASP 42 3HB ASP 42 5.898 -7.245 -3.327 324 H ILE 43 H ILE 43 8.378 -4.431 -1.530 325 HA ILE 43 HA ILE 43 9.170 -2.050 -2.738 326 HB ILE 43 HB ILE 43 10.805 -4.123 -1.254 327 HG12 ILE 43 2HG1 ILE 43 9.945 -1.599 0.089 328 HG13 ILE 43 3HG1 ILE 43 8.668 -2.771 -0.188 329 HG21 ILE 43 1HG2 ILE 43 11.443 -1.188 -1.765 330 HG22 ILE 43 2HG2 ILE 43 12.370 -2.275 -0.699 331 HG23 ILE 43 3HG2 ILE 43 12.299 -2.570 -2.442 332 HD11 ILE 43 3HD1 ILE 43 11.291 -3.548 1.151 333 HD12 ILE 43 1HD1 ILE 43 9.838 -3.037 2.028 334 HD13 ILE 43 2HD1 ILE 43 9.787 -4.485 1.041 335 H ARG 44 H ARG 44 10.439 -5.392 -3.422 336 HA ARG 44 HA ARG 44 12.300 -4.656 -5.434 337 HB2 ARG 44 2HB ARG 44 10.746 -7.129 -4.695 338 HB3 ARG 44 3HB ARG 44 11.429 -7.095 -6.310 339 HG2 ARG 44 2HG ARG 44 13.583 -7.258 -5.676 340 HG3 ARG 44 3HG ARG 44 13.353 -6.393 -4.182 341 HD2 ARG 44 2HD ARG 44 12.878 -8.181 -2.949 342 HD3 ARG 44 3HD ARG 44 11.935 -8.987 -4.214 343 HE ARG 44 HE ARG 44 14.825 -9.141 -3.690 344 HH11 ARG 44 1HH1 ARG 44 12.259 -9.920 -6.015 345 HH12 ARG 44 2HH1 ARG 44 13.108 -11.211 -6.770 346 HH21 ARG 44 1HH2 ARG 44 15.948 -10.931 -4.583 347 HH22 ARG 44 2HH2 ARG 44 15.224 -11.840 -5.881 348 H ALA 45 H ALA 45 8.759 -4.804 -5.656 349 HA ALA 45 HA ALA 45 8.769 -4.808 -8.565 350 HB1 ALA 45 1HB ALA 45 6.483 -4.466 -6.579 351 HB2 ALA 45 2HB ALA 45 6.362 -4.990 -8.250 352 HB3 ALA 45 3HB ALA 45 7.131 -6.051 -7.058 353 H SER 46 H SER 46 9.280 -2.378 -6.269 354 HA SER 46 HA SER 46 7.645 -0.395 -7.711 355 HB2 SER 46 2HB SER 46 7.944 0.983 -5.776 356 HB3 SER 46 3HB SER 46 7.519 -0.661 -5.259 357 HG SER 46 HG SER 46 9.783 -1.016 -4.889 358 H SER 47 H SER 47 8.552 1.811 -7.948 359 HA SER 47 HA SER 47 11.131 1.736 -9.381 360 HB2 SER 47 2HB SER 47 10.507 3.908 -10.205 361 HB3 SER 47 3HB SER 47 9.085 2.852 -10.312 362 HG SER 47 HG SER 47 8.611 4.914 -9.456 363 H LEU 48 H LEU 48 10.601 1.812 -6.218 364 HA LEU 48 HA LEU 48 11.595 4.193 -5.195 365 HB2 LEU 48 2HB LEU 48 11.868 1.322 -4.259 366 HB3 LEU 48 3HB LEU 48 12.600 2.622 -3.349 367 HG LEU 48 HG LEU 48 9.621 2.371 -3.902 368 HD11 LEU 48 1HD1 LEU 48 11.414 1.802 -1.499 369 HD12 LEU 48 2HD1 LEU 48 10.293 0.704 -2.330 370 HD13 LEU 48 3HD1 LEU 48 9.667 2.036 -1.345 371 HD21 LEU 48 3HD2 LEU 48 9.403 4.188 -2.210 372 HD22 LEU 48 1HD2 LEU 48 10.162 4.706 -3.705 373 HD23 LEU 48 2HD2 LEU 48 11.173 4.419 -2.261 374 HA PRO 49 HA PRO 49 15.786 4.367 -6.449 375 HB2 PRO 49 2HB PRO 49 16.958 5.682 -4.284 376 HB3 PRO 49 3HB PRO 49 15.951 6.469 -5.540 377 HG2 PRO 49 2HG PRO 49 15.121 5.539 -2.823 378 HG3 PRO 49 3HG PRO 49 14.737 7.093 -3.623 379 HD2 PRO 49 2HD PRO 49 12.990 5.019 -3.570 380 HD3 PRO 49 3HD PRO 49 13.103 6.034 -5.026 381 H GLU 50 H GLU 50 17.731 3.256 -6.098 382 HA GLU 50 HA GLU 50 17.621 0.800 -4.890 383 HB2 GLU 50 2HB GLU 50 20.179 0.882 -5.029 384 HB3 GLU 50 3HB GLU 50 19.326 1.284 -6.526 385 HG2 GLU 50 2HG GLU 50 19.812 3.635 -6.261 386 HG3 GLU 50 3HG GLU 50 20.313 3.416 -4.584 387 H TYR 51 H TYR 51 18.622 3.829 -3.373 388 HA TYR 51 HA TYR 51 19.763 2.807 -0.989 389 HB2 TYR 51 2HB TYR 51 19.989 5.148 -1.758 390 HB3 TYR 51 3HB TYR 51 18.265 5.420 -1.517 391 HD1 TYR 51 1HD TYR 51 21.393 4.417 0.318 392 HD2 TYR 51 2HD TYR 51 17.495 6.227 0.555 393 HE1 TYR 51 1HE TYR 51 21.812 5.016 2.692 394 HE2 TYR 51 2HE TYR 51 17.849 6.732 2.962 395 HH TYR 51 HH TYR 51 19.668 5.644 4.951 396 H TYR 52 H TYR 52 16.387 3.821 -1.743 397 HA TYR 52 HA TYR 52 15.331 3.100 0.834 398 HB2 TYR 52 2HB TYR 52 14.047 3.608 -1.853 399 HB3 TYR 52 3HB TYR 52 13.135 2.902 -0.543 400 HD1 TYR 52 2HD TYR 52 15.603 5.802 -0.614 401 HD2 TYR 52 1HD TYR 52 11.611 4.408 0.256 402 HE1 TYR 52 2HE TYR 52 15.045 8.001 0.317 403 HE2 TYR 52 1HE TYR 52 11.041 6.625 1.154 404 HH TYR 52 HH TYR 52 13.333 9.367 1.331 405 H LYS 53 H LYS 53 15.628 1.364 -2.288 406 HA LYS 53 HA LYS 53 14.147 -0.918 -1.614 407 HB2 LYS 53 2HB LYS 53 16.723 -0.738 -3.242 408 HB3 LYS 53 3HB LYS 53 15.689 -2.137 -3.227 409 HG2 LYS 53 2HG LYS 53 14.489 0.540 -4.035 410 HG3 LYS 53 3HG LYS 53 15.589 -0.276 -5.132 411 HD2 LYS 53 2HD LYS 53 14.058 -2.376 -4.748 412 HD3 LYS 53 3HD LYS 53 12.904 -1.173 -4.134 413 HE2 LYS 53 2HE LYS 53 12.304 -1.315 -6.373 414 HE3 LYS 53 3HE LYS 53 13.399 0.081 -6.349 415 HZ1 LYS 53 3HZ LYS 53 14.161 -2.683 -7.160 416 HZ2 LYS 53 1HZ LYS 53 15.154 -1.370 -7.170 417 HZ3 LYS 53 2HZ LYS 53 13.845 -1.437 -8.170 418 H GLU 54 H GLU 54 17.660 -0.450 -1.152 419 HA GLU 54 HA GLU 54 18.029 -2.862 0.314 420 HB2 GLU 54 2HB GLU 54 19.611 -0.270 0.331 421 HB3 GLU 54 3HB GLU 54 20.165 -1.752 1.024 422 HG2 GLU 54 2HG GLU 54 19.316 -2.293 -1.731 423 HG3 GLU 54 3HG GLU 54 20.443 -0.945 -1.695 424 H ARG 55 H ARG 55 17.161 0.458 1.404 425 HA ARG 55 HA ARG 55 17.622 -0.059 4.208 426 HB2 ARG 55 2HB ARG 55 16.270 2.097 2.648 427 HB3 ARG 55 3HB ARG 55 15.555 1.793 4.225 428 HG2 ARG 55 2HG ARG 55 17.231 3.531 4.475 429 HG3 ARG 55 3HG ARG 55 17.743 2.061 5.326 430 HD2 ARG 55 2HD ARG 55 18.933 1.541 3.091 431 HD3 ARG 55 3HD ARG 55 18.766 3.261 2.737 432 HE ARG 55 HE ARG 55 19.847 3.350 5.203 433 HH11 ARG 55 1HH1 ARG 55 20.764 1.222 2.523 434 HH12 ARG 55 2HH1 ARG 55 22.409 1.044 3.031 435 HH21 ARG 55 1HH2 ARG 55 22.092 3.281 5.775 436 HH22 ARG 55 2HH2 ARG 55 23.162 2.209 4.917 437 H LEU 56 H LEU 56 14.641 -0.205 2.283 438 HA LEU 56 HA LEU 56 13.048 -1.139 4.475 439 HB2 LEU 56 2HB LEU 56 12.550 -1.463 1.506 440 HB3 LEU 56 3HB LEU 56 11.354 -1.587 2.808 441 HG LEU 56 HG LEU 56 12.845 0.961 2.053 442 HD11 LEU 56 1HD1 LEU 56 10.760 1.762 1.145 443 HD12 LEU 56 2HD1 LEU 56 9.951 0.232 1.554 444 HD13 LEU 56 3HD1 LEU 56 11.252 0.271 0.337 445 HD21 LEU 56 3HD2 LEU 56 11.253 2.131 3.441 446 HD22 LEU 56 1HD2 LEU 56 12.331 1.071 4.357 447 HD23 LEU 56 2HD2 LEU 56 10.639 0.572 4.063 448 H LEU 57 H LEU 57 15.084 -2.889 2.101 449 HA LEU 57 HA LEU 57 14.054 -5.518 2.814 450 HB2 LEU 57 2HB LEU 57 16.478 -4.471 1.332 451 HB3 LEU 57 3HB LEU 57 16.379 -6.168 1.761 452 HG LEU 57 HG LEU 57 14.133 -4.849 0.212 453 HD11 LEU 57 1HD1 LEU 57 16.703 -6.143 -0.773 454 HD12 LEU 57 2HD1 LEU 57 16.157 -4.499 -1.104 455 HD13 LEU 57 3HD1 LEU 57 15.295 -5.904 -1.810 456 HD21 LEU 57 3HD2 LEU 57 13.677 -7.087 1.221 457 HD22 LEU 57 1HD2 LEU 57 15.075 -7.741 0.368 458 HD23 LEU 57 2HD2 LEU 57 13.690 -7.127 -0.563 459 H ALA 58 H ALA 58 16.587 -3.393 4.039 460 HA ALA 58 HA ALA 58 17.805 -5.509 5.706 461 HB1 ALA 58 1HB ALA 58 19.352 -3.636 6.299 462 HB2 ALA 58 2HB ALA 58 19.280 -3.929 4.552 463 HB3 ALA 58 3HB ALA 58 18.419 -2.549 5.253 464 H ALA 59 H ALA 59 15.197 -3.281 6.006 465 HA ALA 59 HA ALA 59 15.607 -2.522 8.733 466 HB1 ALA 59 1HB ALA 59 14.140 -1.302 7.109 467 HB2 ALA 59 2HB ALA 59 12.995 -2.660 7.162 468 HB3 ALA 59 3HB ALA 59 13.355 -1.710 8.633 469 H SER 60 H SER 60 14.217 -3.073 10.524 470 HA SER 60 HA SER 60 13.362 -5.916 10.662 471 HB2 SER 60 2HB SER 60 15.486 -5.577 11.785 472 HB3 SER 60 3HB SER 60 14.846 -4.190 12.674 473 HG SER 60 HG SER 60 13.810 -6.834 12.879 474 H HIS 61 H HIS 61 11.178 -5.518 10.270 475 HA HIS 61 HA HIS 61 9.750 -3.996 12.358 476 HB2 HIS 61 2HB HIS 61 10.019 -2.762 10.010 477 HB3 HIS 61 3HB HIS 61 8.873 -3.941 9.474 478 HD1 HIS 61 1HD HIS 61 7.302 -3.481 12.591 479 HD2 HIS 61 2HD HIS 61 8.262 -0.865 9.453 480 HE1 HIS 61 1HE HIS 61 5.609 -1.596 12.695 481 H HIS 62 H HIS 62 8.115 -5.267 13.149 482 HA HIS 62 HA HIS 62 7.644 -7.905 12.304 483 HB2 HIS 62 2HB HIS 62 6.005 -7.975 13.981 484 HB3 HIS 62 3HB HIS 62 7.181 -6.821 14.576 485 HD1 HIS 62 1HD HIS 62 6.329 -4.172 14.501 486 HD2 HIS 62 2HD HIS 62 3.535 -7.179 13.559 487 HE1 HIS 62 1HE HIS 62 4.009 -3.058 14.549 488 H LEU 63 H LEU 63 6.760 -5.272 10.526 489 HA LEU 63 HA LEU 63 4.233 -6.431 9.456 490 HB2 LEU 63 2HB LEU 63 5.336 -3.610 9.387 491 HB3 LEU 63 3HB LEU 63 3.934 -4.142 8.456 492 HG LEU 63 HG LEU 63 4.138 -4.162 11.488 493 HD11 LEU 63 1HD1 LEU 63 2.566 -2.386 9.590 494 HD12 LEU 63 2HD1 LEU 63 4.005 -1.912 10.512 495 HD13 LEU 63 3HD1 LEU 63 2.523 -2.318 11.386 496 HD21 LEU 63 3HD2 LEU 63 2.599 -5.930 10.826 497 HD22 LEU 63 1HD2 LEU 63 1.814 -4.872 9.632 498 HD23 LEU 63 2HD2 LEU 63 1.647 -4.566 11.385 499 H ILE 64 H ILE 64 7.629 -6.002 8.723 500 HA ILE 64 HA ILE 64 7.084 -6.194 5.807 501 HB ILE 64 HB ILE 64 9.668 -5.682 7.313 502 HG12 ILE 64 2HG1 ILE 64 8.043 -3.578 5.833 503 HG13 ILE 64 3HG1 ILE 64 7.894 -3.805 7.555 504 HG21 ILE 64 1HG2 ILE 64 10.051 -6.534 5.050 505 HG22 ILE 64 2HG2 ILE 64 8.962 -5.332 4.354 506 HG23 ILE 64 3HG2 ILE 64 10.509 -4.856 5.099 507 HD11 ILE 64 3HD1 ILE 64 10.273 -2.786 6.020 508 HD12 ILE 64 1HD1 ILE 64 9.438 -2.130 7.446 509 HD13 ILE 64 2HD1 ILE 64 10.498 -3.531 7.623 510 H SER 65 H SER 65 8.150 -7.868 4.608 511 HA SER 65 HA SER 65 8.426 -10.414 6.092 512 HB2 SER 65 2HB SER 65 8.263 -11.400 3.878 513 HB3 SER 65 3HB SER 65 6.982 -10.195 4.026 514 HG SER 65 HG SER 65 8.084 -10.109 2.079 515 H SER 66 H SER 66 10.215 -11.891 5.177 516 HA SER 66 HA SER 66 12.756 -10.352 4.893 517 HB2 SER 66 2HB SER 66 12.229 -13.252 5.663 518 HB3 SER 66 3HB SER 66 13.804 -12.434 5.591 519 HG SER 66 HG SER 66 13.298 -12.139 7.609 520 H ASP 67 H ASP 67 11.158 -10.100 2.828 521 HA ASP 67 HA ASP 67 12.380 -11.744 0.650 522 HB2 ASP 67 2HB ASP 67 10.122 -12.613 1.274 523 HB3 ASP 67 3HB ASP 67 9.437 -11.041 0.916 524 H GLY 68 H GLY 68 10.558 -8.833 1.678 525 HA2 GLY 68 2HA GLY 68 11.524 -6.685 0.863 526 HA3 GLY 68 3HA GLY 68 11.532 -7.402 -0.756 527 H VAL 69 H VAL 69 8.904 -7.582 1.796 528 HA VAL 69 HA VAL 69 7.332 -5.766 0.166 529 HB VAL 69 HB VAL 69 6.847 -7.782 -0.974 530 HG11 VAL 69 1HG1 VAL 69 5.807 -9.765 0.101 531 HG12 VAL 69 2HG1 VAL 69 7.512 -9.540 0.474 532 HG13 VAL 69 3HG1 VAL 69 6.247 -9.105 1.683 533 HG21 VAL 69 3HG2 VAL 69 4.538 -7.353 0.930 534 HG22 VAL 69 1HG2 VAL 69 4.904 -6.310 -0.457 535 HG23 VAL 69 2HG2 VAL 69 4.490 -8.000 -0.733 536 H ILE 70 H ILE 70 5.896 -4.663 1.336 537 HA ILE 70 HA ILE 70 5.940 -5.000 4.300 538 HB ILE 70 HB ILE 70 5.262 -2.503 2.673 539 HG12 ILE 70 2HG1 ILE 70 7.980 -3.365 3.659 540 HG13 ILE 70 3HG1 ILE 70 7.480 -2.832 2.062 541 HG21 ILE 70 1HG2 ILE 70 5.545 -1.318 4.792 542 HG22 ILE 70 2HG2 ILE 70 4.359 -2.593 4.982 543 HG23 ILE 70 3HG2 ILE 70 5.997 -2.837 5.606 544 HD11 ILE 70 3HD1 ILE 70 7.129 -0.518 2.969 545 HD12 ILE 70 1HD1 ILE 70 7.801 -1.068 4.524 546 HD13 ILE 70 2HD1 ILE 70 8.801 -1.096 3.072 547 H VAL 71 H VAL 71 3.869 -5.349 5.284 548 HA VAL 71 HA VAL 71 1.515 -4.910 3.543 549 HB VAL 71 HB VAL 71 0.424 -6.879 4.501 550 HG11 VAL 71 1HG1 VAL 71 1.347 -6.935 2.272 551 HG12 VAL 71 2HG1 VAL 71 2.943 -7.443 2.884 552 HG13 VAL 71 3HG1 VAL 71 1.539 -8.511 3.036 553 HG21 VAL 71 3HG2 VAL 71 3.187 -7.731 5.434 554 HG22 VAL 71 1HG2 VAL 71 1.825 -7.247 6.487 555 HG23 VAL 71 2HG2 VAL 71 1.688 -8.694 5.484 556 H ILE 72 H ILE 72 -0.298 -4.119 4.502 557 HA ILE 72 HA ILE 72 -0.164 -3.429 7.391 558 HB ILE 72 HB ILE 72 -0.808 -1.586 5.059 559 HG12 ILE 72 2HG1 ILE 72 1.453 -1.466 7.117 560 HG13 ILE 72 3HG1 ILE 72 1.619 -1.979 5.442 561 HG21 ILE 72 1HG2 ILE 72 -0.904 -0.914 8.036 562 HG22 ILE 72 2HG2 ILE 72 -1.178 0.204 6.685 563 HG23 ILE 72 3HG2 ILE 72 -2.320 -1.088 6.970 564 HD11 ILE 72 3HD1 ILE 72 2.289 0.101 5.141 565 HD12 ILE 72 1HD1 ILE 72 0.565 0.393 4.918 566 HD13 ILE 72 2HD1 ILE 72 1.313 0.761 6.488 567 H LYS 73 H LYS 73 -2.129 -3.518 8.387 568 HA LYS 73 HA LYS 73 -4.490 -4.402 6.800 569 HB2 LYS 73 2HB LYS 73 -3.895 -5.333 9.639 570 HB3 LYS 73 3HB LYS 73 -5.070 -5.964 8.483 571 HG2 LYS 73 2HG LYS 73 -3.041 -6.543 6.983 572 HG3 LYS 73 3HG LYS 73 -2.024 -6.148 8.366 573 HD2 LYS 73 2HD LYS 73 -3.159 -7.929 9.688 574 HD3 LYS 73 3HD LYS 73 -4.045 -8.409 8.200 575 HE2 LYS 73 2HE LYS 73 -2.025 -8.890 7.031 576 HE3 LYS 73 3HE LYS 73 -1.003 -8.103 8.227 577 HZ1 LYS 73 3HZ LYS 73 -0.949 -10.523 8.362 578 HZ2 LYS 73 1HZ LYS 73 -2.563 -10.544 8.760 579 HZ3 LYS 73 2HZ LYS 73 -1.464 -9.871 9.773 580 H ALA 74 H ALA 74 -5.569 -2.510 6.705 581 HA ALA 74 HA ALA 74 -5.698 -0.749 9.104 582 HB1 ALA 74 1HB ALA 74 -6.393 -0.313 6.171 583 HB2 ALA 74 2HB ALA 74 -6.653 0.876 7.458 584 HB3 ALA 74 3HB ALA 74 -5.002 0.373 7.072 585 H GLN 75 H GLN 75 -7.512 -0.921 10.350 586 HA GLN 75 HA GLN 75 -10.067 -1.500 9.157 587 HB2 GLN 75 2HB GLN 75 -10.449 -3.516 10.677 588 HB3 GLN 75 3HB GLN 75 -9.571 -3.657 9.169 589 HG2 GLN 75 2HG GLN 75 -7.410 -3.626 10.522 590 HG3 GLN 75 3HG GLN 75 -8.422 -3.872 11.944 591 HE21 GLN 75 1HE2 GLN 75 -7.137 -5.203 9.045 592 HE22 GLN 75 2HE2 GLN 75 -7.551 -6.873 9.341 593 H GLU 76 H GLU 76 -11.220 -0.083 10.049 594 HA GLU 76 HA GLU 76 -11.545 0.226 12.930 595 HB2 GLU 76 2HB GLU 76 -10.853 2.609 11.156 596 HB3 GLU 76 3HB GLU 76 -11.372 2.688 12.835 597 HG2 GLU 76 2HG GLU 76 -8.749 1.561 11.789 598 HG3 GLU 76 3HG GLU 76 -8.993 3.097 12.577 599 H TYR 77 H TYR 77 -12.277 1.509 9.639 600 HA TYR 77 HA TYR 77 -14.917 2.412 10.256 601 HB2 TYR 77 2HB TYR 77 -13.496 1.839 7.618 602 HB3 TYR 77 3HB TYR 77 -15.034 2.658 7.761 603 HD1 TYR 77 2HD TYR 77 -15.213 4.944 8.706 604 HD2 TYR 77 1HD TYR 77 -11.389 3.009 8.157 605 HE1 TYR 77 2HE TYR 77 -14.061 7.118 8.957 606 HE2 TYR 77 1HE TYR 77 -10.245 5.170 8.412 607 HH TYR 77 HH TYR 77 -10.840 7.561 8.027 608 H ARG 78 H ARG 78 -16.851 1.661 9.086 609 HA ARG 78 HA ARG 78 -17.054 -1.282 9.256 610 HB2 ARG 78 2HB ARG 78 -18.685 0.683 10.212 611 HB3 ARG 78 3HB ARG 78 -19.375 0.506 8.608 612 HG2 ARG 78 2HG ARG 78 -20.672 -0.967 9.873 613 HG3 ARG 78 3HG ARG 78 -19.468 -2.054 9.184 614 HD2 ARG 78 2HD ARG 78 -19.598 -2.673 11.454 615 HD3 ARG 78 3HD ARG 78 -18.147 -1.667 11.387 616 HE ARG 78 HE ARG 78 -20.498 -0.100 11.999 617 HH11 ARG 78 1HH1 ARG 78 -18.063 -2.205 13.477 618 HH12 ARG 78 2HH1 ARG 78 -18.328 -1.669 15.087 619 HH21 ARG 78 1HH2 ARG 78 -20.977 0.550 14.201 620 HH22 ARG 78 2HH2 ARG 78 -19.972 -0.044 15.483 621 H SER 79 H SER 79 -16.597 1.212 6.880 622 HA SER 79 HA SER 79 -17.631 -0.503 4.691 623 HB2 SER 79 2HB SER 79 -16.866 2.433 4.754 624 HB3 SER 79 3HB SER 79 -17.509 1.565 3.345 625 HG SER 79 HG SER 79 -19.452 1.480 4.236 626 H GLN 80 H GLN 80 -16.289 -1.486 3.386 627 HA GLN 80 HA GLN 80 -13.509 -1.630 3.762 628 HB2 GLN 80 2HB GLN 80 -15.410 -3.169 2.571 629 HB3 GLN 80 3HB GLN 80 -14.759 -2.447 1.135 630 HG2 GLN 80 2HG GLN 80 -12.844 -3.686 1.240 631 HG3 GLN 80 3HG GLN 80 -12.683 -3.505 2.989 632 HE21 GLN 80 1HE2 GLN 80 -12.318 -5.635 3.572 633 HE22 GLN 80 2HE2 GLN 80 -13.453 -6.935 3.328 634 H GLU 81 H GLU 81 -15.089 0.886 2.363 635 HA GLU 81 HA GLU 81 -13.158 1.519 0.249 636 HB2 GLU 81 2HB GLU 81 -15.804 1.653 0.216 637 HB3 GLU 81 3HB GLU 81 -15.544 3.206 1.011 638 HG2 GLU 81 2HG GLU 81 -14.081 3.909 -0.884 639 HG3 GLU 81 3HG GLU 81 -14.268 2.303 -1.606 640 H LEU 82 H LEU 82 -13.821 2.312 3.581 641 HA LEU 82 HA LEU 82 -12.260 4.853 3.400 642 HB2 LEU 82 2HB LEU 82 -13.733 3.611 5.739 643 HB3 LEU 82 3HB LEU 82 -13.009 5.224 5.681 644 HG LEU 82 HG LEU 82 -15.396 4.239 4.051 645 HD11 LEU 82 1HD1 LEU 82 -16.647 5.881 5.431 646 HD12 LEU 82 2HD1 LEU 82 -15.176 6.218 6.344 647 HD13 LEU 82 3HD1 LEU 82 -15.911 4.592 6.395 648 HD21 LEU 82 3HD2 LEU 82 -14.100 6.995 4.123 649 HD22 LEU 82 1HD2 LEU 82 -15.631 6.579 3.323 650 HD23 LEU 82 2HD2 LEU 82 -14.130 5.883 2.728 651 H ASN 83 H ASN 83 -12.124 1.569 4.637 652 HA ASN 83 HA ASN 83 -9.835 1.963 6.370 653 HB2 ASN 83 2HB ASN 83 -11.117 -0.499 5.090 654 HB3 ASN 83 3HB ASN 83 -9.623 -0.589 6.018 655 HD21 ASN 83 1HD2 ASN 83 -12.689 -1.477 6.564 656 HD22 ASN 83 2HD2 ASN 83 -12.750 -1.041 8.222 657 H ARG 84 H ARG 84 -10.233 1.514 2.910 658 HA ARG 84 HA ARG 84 -7.564 0.623 2.347 659 HB2 ARG 84 2HB ARG 84 -8.024 1.647 0.044 660 HB3 ARG 84 3HB ARG 84 -8.923 0.221 0.544 661 HG2 ARG 84 2HG ARG 84 -10.922 1.392 0.900 662 HG3 ARG 84 3HG ARG 84 -10.098 2.937 1.024 663 HD2 ARG 84 2HD ARG 84 -11.098 3.086 -1.024 664 HD3 ARG 84 3HD ARG 84 -9.429 2.656 -1.397 665 HE ARG 84 HE ARG 84 -11.871 1.152 -1.929 666 HH11 ARG 84 1HH1 ARG 84 -8.306 1.075 -2.169 667 HH12 ARG 84 2HH1 ARG 84 -8.327 -0.529 -2.855 668 HH21 ARG 84 1HH2 ARG 84 -11.722 -0.798 -3.267 669 HH22 ARG 84 2HH2 ARG 84 -10.156 -1.458 -3.486 670 H GLU 85 H GLU 85 -8.945 3.978 2.346 671 HA GLU 85 HA GLU 85 -6.376 5.028 1.711 672 HB2 GLU 85 2HB GLU 85 -7.277 7.210 2.176 673 HB3 GLU 85 3HB GLU 85 -8.395 6.267 1.180 674 HG2 GLU 85 2HG GLU 85 -9.896 5.932 3.016 675 HG3 GLU 85 3HG GLU 85 -8.661 6.442 4.179 676 H ALA 86 H ALA 86 -7.744 3.976 4.763 677 HA ALA 86 HA ALA 86 -5.992 5.547 6.370 678 HB1 ALA 86 1HB ALA 86 -7.476 2.968 6.966 679 HB2 ALA 86 2HB ALA 86 -6.658 3.983 8.176 680 HB3 ALA 86 3HB ALA 86 -8.040 4.630 7.272 681 H ALA 87 H ALA 87 -5.496 2.607 4.543 682 HA ALA 87 HA ALA 87 -3.247 1.639 6.107 683 HB1 ALA 87 1HB ALA 87 -4.687 0.147 4.703 684 HB2 ALA 87 2HB ALA 87 -4.070 0.949 3.256 685 HB3 ALA 87 3HB ALA 87 -2.968 0.038 4.318 686 H LEU 88 H LEU 88 -3.555 3.567 3.062 687 HA LEU 88 HA LEU 88 -0.802 3.586 2.410 688 HB2 LEU 88 2HB LEU 88 -1.389 5.112 0.766 689 HB3 LEU 88 3HB LEU 88 -2.861 4.224 1.042 690 HG LEU 88 HG LEU 88 -3.288 6.283 2.753 691 HD11 LEU 88 1HD1 LEU 88 -1.065 7.363 2.177 692 HD12 LEU 88 2HD1 LEU 88 -2.489 8.360 1.953 693 HD13 LEU 88 3HD1 LEU 88 -1.697 7.618 0.538 694 HD21 LEU 88 3HD2 LEU 88 -3.741 6.595 -0.222 695 HD22 LEU 88 1HD2 LEU 88 -4.737 7.247 1.129 696 HD23 LEU 88 2HD2 LEU 88 -4.664 5.512 0.783 697 H ALA 89 H ALA 89 -2.592 5.618 4.716 698 HA ALA 89 HA ALA 89 -0.566 7.578 5.087 699 HB1 ALA 89 1HB ALA 89 -1.716 8.059 7.172 700 HB2 ALA 89 2HB ALA 89 -2.925 7.718 5.923 701 HB3 ALA 89 3HB ALA 89 -2.538 6.489 7.149 702 H ARG 90 H ARG 90 -1.216 4.530 6.838 703 HA ARG 90 HA ARG 90 0.963 4.580 8.596 704 HB2 ARG 90 2HB ARG 90 -0.471 2.220 7.324 705 HB3 ARG 90 3HB ARG 90 0.609 2.106 8.720 706 HG2 ARG 90 2HG ARG 90 -0.869 3.494 10.048 707 HG3 ARG 90 3HG ARG 90 -1.953 3.782 8.680 708 HD2 ARG 90 2HD ARG 90 -2.461 1.398 8.521 709 HD3 ARG 90 3HD ARG 90 -1.326 1.038 9.819 710 HE ARG 90 HE ARG 90 -4.072 1.909 10.016 711 HH11 ARG 90 1HH1 ARG 90 -1.022 2.246 11.844 712 HH12 ARG 90 2HH1 ARG 90 -1.839 2.632 13.320 713 HH21 ARG 90 1HH2 ARG 90 -5.069 2.416 11.821 714 HH22 ARG 90 2HH2 ARG 90 -4.304 2.830 13.309 715 H LEU 91 H LEU 91 0.802 3.331 5.218 716 HA LEU 91 HA LEU 91 3.380 2.138 5.242 717 HB2 LEU 91 2HB LEU 91 1.793 1.660 3.440 718 HB3 LEU 91 3HB LEU 91 1.809 3.340 2.957 719 HG LEU 91 HG LEU 91 4.177 3.174 2.319 720 HD11 LEU 91 1HD1 LEU 91 5.018 1.456 3.858 721 HD12 LEU 91 2HD1 LEU 91 5.271 0.921 2.201 722 HD13 LEU 91 3HD1 LEU 91 3.932 0.247 3.148 723 HD21 LEU 91 3HD2 LEU 91 2.387 2.659 0.690 724 HD22 LEU 91 1HD2 LEU 91 2.579 0.935 1.067 725 HD23 LEU 91 2HD2 LEU 91 3.921 1.837 0.333 726 H VAL 92 H VAL 92 2.360 5.431 4.306 727 HA VAL 92 HA VAL 92 4.894 6.423 3.573 728 HB VAL 92 HB VAL 92 2.671 7.925 5.024 729 HG11 VAL 92 1HG1 VAL 92 4.662 9.280 5.187 730 HG12 VAL 92 2HG1 VAL 92 5.062 9.015 3.481 731 HG13 VAL 92 3HG1 VAL 92 3.639 9.975 3.951 732 HG21 VAL 92 3HG2 VAL 92 3.248 8.035 2.085 733 HG22 VAL 92 1HG2 VAL 92 2.162 6.787 2.728 734 HG23 VAL 92 2HG2 VAL 92 1.753 8.489 2.943 735 H ALA 93 H ALA 93 3.366 6.186 6.739 736 HA ALA 93 HA ALA 93 5.232 7.647 8.299 737 HB1 ALA 93 1HB ALA 93 4.148 6.661 10.219 738 HB2 ALA 93 2HB ALA 93 2.916 7.128 9.017 739 HB3 ALA 93 3HB ALA 93 3.373 5.424 9.228 740 H MET 94 H MET 94 4.813 4.096 7.971 741 HA MET 94 HA MET 94 7.149 3.513 9.514 742 HB2 MET 94 2HB MET 94 6.954 1.235 8.690 743 HB3 MET 94 3HB MET 94 5.390 1.875 9.209 744 HG2 MET 94 2HG MET 94 4.968 2.441 6.763 745 HG3 MET 94 3HG MET 94 6.365 1.514 6.356 746 HE1 MET 94 3HE MET 94 6.520 -1.089 7.400 747 HE2 MET 94 1HE MET 94 5.524 -0.939 8.867 748 HE3 MET 94 2HE MET 94 5.056 -2.092 7.621 749 H ILE 95 H ILE 95 6.694 4.120 5.959 750 HA ILE 95 HA ILE 95 9.320 3.367 5.230 751 HB ILE 95 HB ILE 95 7.368 5.375 4.067 752 HG12 ILE 95 2HG1 ILE 95 8.545 2.778 2.937 753 HG13 ILE 95 3HG1 ILE 95 7.052 2.837 3.857 754 HG21 ILE 95 1HG2 ILE 95 8.908 5.616 2.108 755 HG22 ILE 95 2HG2 ILE 95 9.646 6.258 3.558 756 HG23 ILE 95 3HG2 ILE 95 10.142 4.659 2.956 757 HD11 ILE 95 3HD1 ILE 95 6.486 2.827 1.514 758 HD12 ILE 95 1HD1 ILE 95 6.105 4.442 2.160 759 HD13 ILE 95 2HD1 ILE 95 7.557 4.173 1.161 760 H LYS 96 H LYS 96 8.064 6.597 6.441 761 HA LYS 96 HA LYS 96 10.607 7.873 6.454 762 HB2 LYS 96 2HB LYS 96 7.964 8.371 7.860 763 HB3 LYS 96 3HB LYS 96 9.355 9.454 8.043 764 HG2 LYS 96 2HG LYS 96 9.443 9.873 5.660 765 HG3 LYS 96 3HG LYS 96 8.154 8.710 5.334 766 HD2 LYS 96 2HD LYS 96 6.516 10.008 6.453 767 HD3 LYS 96 3HD LYS 96 7.718 11.081 7.193 768 HE2 LYS 96 2HE LYS 96 7.740 10.828 4.193 769 HE3 LYS 96 3HE LYS 96 6.388 11.688 4.937 770 HZ1 LYS 96 3HZ LYS 96 8.295 13.154 4.390 771 HZ2 LYS 96 1HZ LYS 96 9.241 12.342 5.455 772 HZ3 LYS 96 2HZ LYS 96 7.931 13.184 5.980 773 H GLU 97 H GLU 97 9.879 5.228 8.336 774 HA GLU 97 HA GLU 97 11.534 6.215 10.618 775 HB2 GLU 97 2HB GLU 97 9.287 4.185 10.340 776 HB3 GLU 97 3HB GLU 97 10.425 4.048 11.645 777 HG2 GLU 97 2HG GLU 97 8.944 6.660 11.069 778 HG3 GLU 97 3HG GLU 97 8.211 5.371 11.998 779 H LEU 98 H LEU 98 11.120 3.779 8.114 780 HA LEU 98 HA LEU 98 13.372 2.123 9.042 781 HB2 LEU 98 2HB LEU 98 11.809 1.991 6.459 782 HB3 LEU 98 3HB LEU 98 12.804 0.720 7.125 783 HG LEU 98 HG LEU 98 10.407 1.719 8.690 784 HD11 LEU 98 1HD1 LEU 98 9.594 1.306 6.413 785 HD12 LEU 98 2HD1 LEU 98 8.986 0.091 7.533 786 HD13 LEU 98 3HD1 LEU 98 10.343 -0.296 6.425 787 HD21 LEU 98 3HD2 LEU 98 10.408 -0.219 9.839 788 HD22 LEU 98 1HD2 LEU 98 12.123 0.113 9.651 789 HD23 LEU 98 2HD2 LEU 98 11.319 -1.103 8.602 790 H THR 99 H THR 99 12.878 4.759 6.811 791 HA THR 99 HA THR 99 15.485 4.230 5.392 792 HB THR 99 HB THR 99 14.628 5.994 3.844 793 HG1 THR 99 1HG THR 99 12.176 5.777 5.240 794 HG21 THR 99 3HG2 THR 99 12.631 3.732 4.285 795 HG22 THR 99 1HG2 THR 99 14.183 3.580 3.431 796 HG23 THR 99 2HG2 THR 99 12.931 4.628 2.773 797 H THR 100 H THR 100 13.965 6.443 7.692 798 HA THR 100 HA THR 100 16.385 7.915 8.121 799 HB THR 100 HB THR 100 14.985 8.851 6.212 800 HG1 THR 100 1HG THR 100 16.465 10.098 7.409 801 HG21 THR 100 3HG2 THR 100 13.007 10.171 6.627 802 HG22 THR 100 1HG2 THR 100 13.005 9.704 8.342 803 HG23 THR 100 2HG2 THR 100 12.745 8.482 7.089 804 H GLU 101 H GLU 101 15.188 9.769 9.902 805 HA GLU 101 HA GLU 101 13.514 8.141 11.715 806 HB2 GLU 101 2HB GLU 101 16.115 8.132 12.194 807 HB3 GLU 101 3HB GLU 101 15.823 9.753 12.817 808 HG2 GLU 101 2HG GLU 101 14.011 8.776 14.289 809 HG3 GLU 101 3HG GLU 101 14.476 7.163 13.722 810 H LYS 102 H LYS 102 11.762 9.342 12.156 811 HA LYS 102 HA LYS 102 11.363 11.990 11.367 812 HB2 LYS 102 2HB LYS 102 9.736 10.023 11.841 813 HB3 LYS 102 3HB LYS 102 9.977 10.379 13.541 814 HG2 LYS 102 2HG LYS 102 8.008 11.478 13.052 815 HG3 LYS 102 3HG LYS 102 9.200 12.783 12.966 816 HD2 LYS 102 2HD LYS 102 9.220 12.668 10.530 817 HD3 LYS 102 3HD LYS 102 8.167 11.218 10.557 818 HE2 LYS 102 2HE LYS 102 6.491 12.569 11.849 819 HE3 LYS 102 3HE LYS 102 7.508 13.995 11.609 820 HZ1 LYS 102 3HZ LYS 102 5.772 13.910 9.999 821 HZ2 LYS 102 1HZ LYS 102 6.187 12.395 9.503 822 HZ3 LYS 102 2HZ LYS 102 7.194 13.681 9.201 823 H LYS 103 H LYS 103 11.357 13.967 12.639 824 HA LYS 103 HA LYS 103 12.407 13.763 15.397 825 HB2 LYS 103 2HB LYS 103 14.164 14.255 13.409 826 HB3 LYS 103 3HB LYS 103 13.615 15.908 13.668 827 HG2 LYS 103 2HG LYS 103 14.791 14.001 15.747 828 HG3 LYS 103 3HG LYS 103 15.617 15.349 14.970 829 HD2 LYS 103 2HD LYS 103 14.010 16.930 16.036 830 HD3 LYS 103 3HD LYS 103 13.280 15.585 16.922 831 HE2 LYS 103 2HE LYS 103 16.272 15.972 17.054 832 HE3 LYS 103 3HE LYS 103 15.224 17.029 18.006 833 HZ1 LYS 103 3HZ LYS 103 15.946 15.046 19.203 834 HZ2 LYS 103 1HZ LYS 103 15.068 14.074 18.196 835 HZ3 LYS 103 2HZ LYS 103 14.330 15.209 19.143 836 H ALA 104 H ALA 104 11.091 14.818 16.704 837 HA ALA 104 HA ALA 104 9.092 16.696 15.778 838 HB1 ALA 104 1HB ALA 104 9.842 15.650 18.553 839 HB2 ALA 104 2HB ALA 104 8.389 16.585 18.154 840 HB3 ALA 104 3HB ALA 104 8.618 14.956 17.472 841 H ARG 105 H ARG 105 10.587 18.447 15.005 842 HA ARG 105 HA ARG 105 12.287 19.729 17.024 843 HB2 ARG 105 2HB ARG 105 12.840 19.825 14.605 844 HB3 ARG 105 3HB ARG 105 11.355 20.727 14.308 845 HG2 ARG 105 2HG ARG 105 13.198 22.233 14.305 846 HG3 ARG 105 3HG ARG 105 12.228 22.613 15.711 847 HD2 ARG 105 2HD ARG 105 14.684 20.833 15.882 848 HD3 ARG 105 3HD ARG 105 14.838 22.577 15.829 849 HE ARG 105 HE ARG 105 13.516 22.761 17.865 850 HH11 ARG 105 1HH1 ARG 105 15.165 19.607 17.304 851 HH12 ARG 105 2HH1 ARG 105 15.396 19.306 18.974 852 HH21 ARG 105 1HH2 ARG 105 13.970 22.366 20.073 853 HH22 ARG 105 2HH2 ARG 105 14.569 20.830 20.569 854 H ARG 106 H ARG 106 11.755 21.611 18.243 855 HA ARG 106 HA ARG 106 9.096 22.808 17.909 856 HB2 ARG 106 2HB ARG 106 9.388 20.743 19.646 857 HB3 ARG 106 3HB ARG 106 9.919 22.032 20.722 858 HG2 ARG 106 2HG ARG 106 7.732 23.068 20.628 859 HG3 ARG 106 3HG ARG 106 7.313 22.170 19.161 860 HD2 ARG 106 2HD ARG 106 6.108 20.987 20.680 861 HD3 ARG 106 3HD ARG 106 7.563 20.017 20.651 862 HE ARG 106 HE ARG 106 6.563 21.820 22.765 863 HH11 ARG 106 1HH1 ARG 106 9.311 19.631 21.855 864 HH12 ARG 106 2HH1 ARG 106 9.714 19.403 23.524 865 HH21 ARG 106 1HH2 ARG 106 7.190 21.292 24.954 866 HH22 ARG 106 2HH2 ARG 106 8.573 20.266 25.200 867 HA PRO 107 HA PRO 107 11.831 26.240 18.692 868 HB2 PRO 107 2HB PRO 107 10.116 28.294 19.266 869 HB3 PRO 107 3HB PRO 107 10.199 27.530 17.652 870 HG2 PRO 107 2HG PRO 107 8.228 26.963 19.880 871 HG3 PRO 107 3HG PRO 107 7.898 27.262 18.139 872 HD2 PRO 107 2HD PRO 107 8.065 24.746 19.215 873 HD3 PRO 107 3HD PRO 107 8.574 25.104 17.541 874 H THR 108 H THR 108 12.163 28.071 20.488 875 HA THR 108 HA THR 108 11.615 26.920 23.196 876 HB THR 108 HB THR 108 14.198 28.343 22.591 877 HG1 THR 108 1HG THR 108 14.646 26.800 21.325 878 HG21 THR 108 3HG2 THR 108 13.461 27.932 24.955 879 HG22 THR 108 1HG2 THR 108 14.965 27.109 24.557 880 HG23 THR 108 2HG2 THR 108 13.445 26.187 24.622 881 H ARG 109 H ARG 109 9.989 28.310 23.791 882 HA ARG 109 HA ARG 109 10.546 31.248 23.743 883 HB2 ARG 109 2HB ARG 109 7.943 29.693 23.367 884 HB3 ARG 109 3HB ARG 109 7.993 31.424 23.721 885 HG2 ARG 109 2HG ARG 109 9.121 31.945 21.663 886 HG3 ARG 109 3HG ARG 109 9.442 30.244 21.328 887 HD2 ARG 109 2HD ARG 109 7.638 30.999 19.920 888 HD3 ARG 109 3HD ARG 109 7.066 29.772 21.039 889 HE ARG 109 HE ARG 109 5.613 31.246 21.954 890 HH11 ARG 109 1HH1 ARG 109 7.928 33.230 20.013 891 HH12 ARG 109 2HH1 ARG 109 6.839 34.541 19.920 892 HH21 ARG 109 1HH2 ARG 109 4.226 33.102 21.771 893 HH22 ARG 109 2HH2 ARG 109 4.860 34.569 21.148 894 H SER 110 H SER 110 9.230 32.369 25.592 895 HA SER 110 HA SER 110 8.473 30.892 27.871 896 HB2 SER 110 2HB SER 110 10.356 31.820 29.350 897 HB3 SER 110 3HB SER 110 10.758 30.443 28.328 898 HG SER 110 HG SER 110 11.665 31.948 26.822 899 H GLY 111 H GLY 111 8.426 32.788 29.761 900 HA2 GLY 111 2HA GLY 111 7.782 34.930 30.358 901 HA3 GLY 111 3HA GLY 111 7.948 35.453 28.681 902 HA PRO 112 HA PRO 112 3.563 33.428 28.923 903 HB2 PRO 112 2HB PRO 112 2.494 32.822 31.373 904 HB3 PRO 112 3HB PRO 112 3.480 31.671 30.419 905 HG2 PRO 112 2HG PRO 112 4.367 33.440 32.714 906 HG3 PRO 112 3HG PRO 112 4.740 31.711 32.434 907 HD2 PRO 112 2HD PRO 112 6.467 33.733 31.770 908 HD3 PRO 112 3HD PRO 112 6.358 32.233 30.805 909 H SER 113 H SER 113 2.984 35.433 28.275 910 HA SER 113 HA SER 113 2.766 37.694 30.133 911 HB2 SER 113 2HB SER 113 2.241 37.440 27.140 912 HB3 SER 113 3HB SER 113 2.386 38.951 28.053 913 HG SER 113 HG SER 113 4.468 36.994 27.958 914 H SER 114 H SER 114 0.714 39.077 29.828 915 HA SER 114 HA SER 114 -1.571 37.477 30.558 916 HB2 SER 114 2HB SER 114 -0.930 39.717 31.544 917 HB3 SER 114 3HB SER 114 -1.363 40.462 29.990 918 HG SER 114 HG SER 114 -3.215 40.589 30.842 919 H GLY 115 H GLY 115 -3.719 38.237 29.491 920 HA2 GLY 115 2HA GLY 115 -3.509 37.969 26.506 921 HA3 GLY 115 3HA GLY 115 -4.748 37.187 27.483 922 H GLU 116 H GLU 116 -4.373 40.199 28.887 923 HA GLU 116 HA GLU 116 -5.853 41.827 29.176 924 HB2 GLU 116 2HB GLU 116 -5.041 42.403 26.317 925 HB3 GLU 116 3HB GLU 116 -5.519 43.568 27.554 926 HG2 GLU 116 2HG GLU 116 -2.979 41.887 27.486 927 HG3 GLU 116 3HG GLU 116 -3.123 43.631 27.308 928 H ASN 117 H ASN 117 -7.393 39.534 28.521 929 HA ASN 117 HA ASN 117 -9.802 40.859 27.389 930 HB2 ASN 117 2HB ASN 117 -8.828 39.465 25.620 931 HB3 ASN 117 3HB ASN 117 -8.762 38.080 26.723 932 HD21 ASN 117 1HD2 ASN 117 -10.157 36.895 25.173 933 HD22 ASN 117 2HD2 ASN 117 -11.881 37.289 25.144 934 H LEU 118 H LEU 118 -11.465 40.661 28.759 935 HA LEU 118 HA LEU 118 -11.190 39.133 31.236 936 HB2 LEU 118 2HB LEU 118 -13.243 41.094 30.173 937 HB3 LEU 118 3HB LEU 118 -13.596 40.057 31.552 938 HG LEU 118 HG LEU 118 -11.632 40.911 32.777 939 HD11 LEU 118 1HD1 LEU 118 -11.392 42.885 30.457 940 HD12 LEU 118 2HD1 LEU 118 -10.164 41.715 30.999 941 HD13 LEU 118 3HD1 LEU 118 -10.595 43.067 32.037 942 HD21 LEU 118 3HD2 LEU 118 -12.640 43.087 33.338 943 HD22 LEU 118 1HD2 LEU 118 -13.881 41.843 33.125 944 HD23 LEU 118 2HD2 LEU 118 -13.605 43.038 31.840 945 H TYR 119 H TYR 119 -10.970 37.105 30.153 946 HA TYR 119 HA TYR 119 -13.279 35.896 28.834 947 HB2 TYR 119 2HB TYR 119 -10.725 35.469 28.464 948 HB3 TYR 119 3HB TYR 119 -10.841 34.424 29.871 949 HD1 TYR 119 1HD TYR 119 -11.991 35.013 26.400 950 HD2 TYR 119 2HD TYR 119 -12.002 32.272 29.703 951 HE1 TYR 119 1HE TYR 119 -12.857 33.228 24.894 952 HE2 TYR 119 2HE TYR 119 -12.868 30.475 28.240 953 HH TYR 119 HH TYR 119 -13.835 30.047 26.144 954 H PHE 120 H PHE 120 -13.153 36.842 31.818 955 HA PHE 120 HA PHE 120 -14.836 34.824 32.999 956 HB2 PHE 120 2HB PHE 120 -13.490 34.803 35.086 957 HB3 PHE 120 3HB PHE 120 -12.626 34.060 33.753 958 HD1 PHE 120 1HD PHE 120 -10.631 35.146 32.757 959 HD2 PHE 120 2HD PHE 120 -12.757 36.984 36.031 960 HE1 PHE 120 1HE PHE 120 -8.759 36.745 33.081 961 HE2 PHE 120 2HE PHE 120 -10.883 38.566 36.357 962 HZ PHE 120 HZ PHE 120 -8.880 38.456 34.881 963 H GLN 121 H GLN 121 -16.050 35.864 34.765 964 HA GLN 121 HA GLN 121 -15.780 38.529 35.580 965 HB2 GLN 121 2HB GLN 121 -18.130 39.087 34.743 966 HB3 GLN 121 3HB GLN 121 -16.818 39.335 33.627 967 HG2 GLN 121 2HG GLN 121 -18.152 36.655 33.400 968 HG3 GLN 121 3HG GLN 121 -19.197 38.027 33.105 969 HE21 GLN 121 1HE2 GLN 121 -15.739 38.236 32.198 970 HE22 GLN 121 2HE2 GLN 121 -16.006 38.128 30.480 Start of MODEL 16 1 H1 MET 1 H MET 1 -1.193 8.935 -4.530 2 HA MET 1 HA MET 1 0.694 9.432 -5.918 3 HB2 MET 1 2HB MET 1 0.733 12.182 -4.651 4 HB3 MET 1 3HB MET 1 1.877 11.549 -5.797 5 HG2 MET 1 2HG MET 1 -1.023 12.180 -6.371 6 HG3 MET 1 3HG MET 1 0.420 12.914 -7.065 7 HE1 MET 1 3HE MET 1 2.259 11.370 -8.348 8 HE2 MET 1 1HE MET 1 2.096 9.838 -7.472 9 HE3 MET 1 2HE MET 1 1.854 9.893 -9.223 10 H ILE 2 H ILE 2 0.129 9.512 -2.459 11 HA ILE 2 HA ILE 2 1.555 9.393 -0.711 12 HB ILE 2 HB ILE 2 2.695 7.084 -2.289 13 HG12 ILE 2 2HG1 ILE 2 -0.016 7.163 -0.890 14 HG13 ILE 2 3HG1 ILE 2 0.215 7.183 -2.636 15 HG21 ILE 2 1HG2 ILE 2 3.472 7.648 0.096 16 HG22 ILE 2 2HG2 ILE 2 1.797 7.345 0.609 17 HG23 ILE 2 3HG2 ILE 2 2.788 6.048 -0.085 18 HD11 ILE 2 3HD1 ILE 2 1.310 4.866 -1.016 19 HD12 ILE 2 1HD1 ILE 2 -0.383 4.945 -1.512 20 HD13 ILE 2 2HD1 ILE 2 0.907 4.951 -2.736 21 H VAL 3 H VAL 3 2.642 11.438 -1.817 22 HA VAL 3 HA VAL 3 5.402 11.099 -2.651 23 HB VAL 3 HB VAL 3 4.066 13.570 -1.639 24 HG11 VAL 3 1HG1 VAL 3 6.479 13.861 -1.601 25 HG12 VAL 3 2HG1 VAL 3 6.591 13.334 -3.293 26 HG13 VAL 3 3HG1 VAL 3 5.773 14.857 -2.876 27 HG21 VAL 3 3HG2 VAL 3 2.913 12.648 -3.689 28 HG22 VAL 3 1HG2 VAL 3 3.394 14.338 -3.663 29 HG23 VAL 3 2HG2 VAL 3 4.359 13.193 -4.573 30 H ILE 4 H ILE 4 6.971 10.428 -1.472 31 HA ILE 4 HA ILE 4 6.912 10.705 1.463 32 HB ILE 4 HB ILE 4 8.925 9.166 -0.200 33 HG12 ILE 4 2HG1 ILE 4 6.781 8.138 -0.631 34 HG13 ILE 4 3HG1 ILE 4 7.802 7.134 0.380 35 HG21 ILE 4 1HG2 ILE 4 9.332 7.954 1.953 36 HG22 ILE 4 2HG2 ILE 4 9.813 9.650 1.983 37 HG23 ILE 4 3HG2 ILE 4 8.311 9.148 2.778 38 HD11 ILE 4 3HD1 ILE 4 6.494 7.766 2.389 39 HD12 ILE 4 1HD1 ILE 4 5.459 8.802 1.353 40 HD13 ILE 4 2HD1 ILE 4 5.491 7.037 1.138 41 H SER 5 H SER 5 8.863 11.473 -1.483 42 HA SER 5 HA SER 5 10.204 13.704 -0.180 43 HB2 SER 5 2HB SER 5 11.629 11.706 0.402 44 HB3 SER 5 3HB SER 5 11.762 11.329 -1.322 45 HG SER 5 HG SER 5 13.562 12.485 -0.886 46 H ARG 6 H ARG 6 11.699 14.660 -1.877 47 HA ARG 6 HA ARG 6 10.380 15.613 -4.125 48 HB2 ARG 6 2HB ARG 6 12.744 16.203 -4.952 49 HB3 ARG 6 3HB ARG 6 12.222 16.841 -3.394 50 HG2 ARG 6 2HG ARG 6 13.571 15.213 -2.189 51 HG3 ARG 6 3HG ARG 6 14.028 14.395 -3.689 52 HD2 ARG 6 2HD ARG 6 14.638 17.322 -3.110 53 HD3 ARG 6 3HD ARG 6 15.732 16.004 -2.659 54 HE ARG 6 HE ARG 6 15.237 15.548 -5.332 55 HH11 ARG 6 1HH1 ARG 6 16.516 18.391 -3.588 56 HH12 ARG 6 2HH1 ARG 6 17.513 18.893 -4.905 57 HH21 ARG 6 1HH2 ARG 6 16.460 16.203 -7.024 58 HH22 ARG 6 2HH2 ARG 6 17.572 17.536 -6.892 59 H HIS 7 H HIS 7 12.216 12.613 -3.999 60 HA HIS 7 HA HIS 7 11.795 12.182 -6.947 61 HB2 HIS 7 2HB HIS 7 13.794 10.884 -5.017 62 HB3 HIS 7 3HB HIS 7 13.699 10.616 -6.754 63 HD1 HIS 7 1HD HIS 7 16.429 11.513 -5.685 64 HD2 HIS 7 2HD HIS 7 13.312 13.982 -6.975 65 HE1 HIS 7 1HE HIS 7 17.549 13.687 -6.494 66 H VAL 8 H VAL 8 10.251 11.447 -4.122 67 HA VAL 8 HA VAL 8 9.697 8.641 -4.961 68 HB VAL 8 HB VAL 8 10.174 9.696 -2.140 69 HG11 VAL 8 1HG1 VAL 8 8.648 7.815 -2.217 70 HG12 VAL 8 2HG1 VAL 8 9.766 6.916 -3.260 71 HG13 VAL 8 3HG1 VAL 8 10.206 7.274 -1.564 72 HG21 VAL 8 3HG2 VAL 8 12.317 8.386 -2.203 73 HG22 VAL 8 1HG2 VAL 8 12.091 8.203 -3.961 74 HG23 VAL 8 2HG2 VAL 8 12.336 9.807 -3.265 75 H ALA 9 H ALA 9 7.630 8.622 -5.552 76 HA ALA 9 HA ALA 9 5.469 9.387 -3.781 77 HB1 ALA 9 1HB ALA 9 4.397 11.013 -5.200 78 HB2 ALA 9 2HB ALA 9 5.929 11.612 -4.640 79 HB3 ALA 9 3HB ALA 9 5.763 11.013 -6.319 80 H ILE 10 H ILE 10 4.338 7.611 -3.934 81 HA ILE 10 HA ILE 10 4.477 5.905 -6.315 82 HB ILE 10 HB ILE 10 2.874 5.465 -3.770 83 HG12 ILE 10 2HG1 ILE 10 5.718 4.570 -4.364 84 HG13 ILE 10 3HG1 ILE 10 5.181 5.647 -3.075 85 HG21 ILE 10 1HG2 ILE 10 3.901 3.365 -5.686 86 HG22 ILE 10 2HG2 ILE 10 2.611 3.221 -4.476 87 HG23 ILE 10 3HG2 ILE 10 2.336 4.137 -5.942 88 HD11 ILE 10 3HD1 ILE 10 5.568 3.434 -2.126 89 HD12 ILE 10 1HD1 ILE 10 3.823 3.772 -2.105 90 HD13 ILE 10 2HD1 ILE 10 4.531 2.680 -3.319 91 HA PRO 11 HA PRO 11 0.582 8.007 -7.635 92 HB2 PRO 11 2HB PRO 11 0.191 6.597 -9.976 93 HB3 PRO 11 3HB PRO 11 1.414 7.874 -9.813 94 HG2 PRO 11 2HG PRO 11 1.755 4.878 -9.540 95 HG3 PRO 11 3HG PRO 11 2.736 6.017 -10.520 96 HD2 PRO 11 2HD PRO 11 3.599 5.296 -8.074 97 HD3 PRO 11 3HD PRO 11 3.751 6.942 -8.615 98 H ASP 12 H ASP 12 0.755 5.564 -5.808 99 HA ASP 12 HA ASP 12 -0.493 3.996 -4.821 100 HB2 ASP 12 2HB ASP 12 -2.929 5.278 -6.065 101 HB3 ASP 12 3HB ASP 12 -2.830 4.372 -4.570 102 H GLY 13 H GLY 13 0.533 3.465 -7.613 103 HA2 GLY 13 2HA GLY 13 -1.533 1.594 -8.665 104 HA3 GLY 13 3HA GLY 13 -0.165 2.288 -9.557 105 H GLU 14 H GLU 14 1.918 1.895 -7.800 106 HA GLU 14 HA GLU 14 2.576 -0.847 -8.259 107 HB2 GLU 14 2HB GLU 14 3.911 1.096 -6.342 108 HB3 GLU 14 3HB GLU 14 4.613 -0.382 -6.996 109 HG2 GLU 14 2HG GLU 14 5.581 1.034 -8.473 110 HG3 GLU 14 3HG GLU 14 4.056 0.851 -9.344 111 H LEU 15 H LEU 15 0.294 -0.047 -6.084 112 HA LEU 15 HA LEU 15 1.237 -1.928 -3.967 113 HB2 LEU 15 2HB LEU 15 -1.229 -0.239 -3.650 114 HB3 LEU 15 3HB LEU 15 -0.158 -0.984 -2.473 115 HG LEU 15 HG LEU 15 0.268 1.593 -4.062 116 HD11 LEU 15 1HD1 LEU 15 -1.166 1.654 -1.978 117 HD12 LEU 15 2HD1 LEU 15 0.322 2.622 -1.860 118 HD13 LEU 15 3HD1 LEU 15 0.250 1.059 -1.063 119 HD21 LEU 15 3HD2 LEU 15 2.354 1.885 -2.701 120 HD22 LEU 15 1HD2 LEU 15 2.486 0.570 -3.864 121 HD23 LEU 15 2HD2 LEU 15 2.179 0.230 -2.132 122 H GLU 16 H GLU 16 -0.104 -3.550 -3.225 123 HA GLU 16 HA GLU 16 -2.355 -4.355 -4.995 124 HB2 GLU 16 2HB GLU 16 -0.509 -5.976 -5.015 125 HB3 GLU 16 3HB GLU 16 -0.559 -6.093 -3.251 126 HG2 GLU 16 2HG GLU 16 -3.033 -6.774 -3.492 127 HG3 GLU 16 3HG GLU 16 -2.740 -6.869 -5.220 128 H ILE 17 H ILE 17 -4.105 -3.411 -4.020 129 HA ILE 17 HA ILE 17 -4.385 -3.599 -1.076 130 HB ILE 17 HB ILE 17 -5.733 -1.956 -3.249 131 HG12 ILE 17 2HG1 ILE 17 -4.148 -1.054 -0.775 132 HG13 ILE 17 3HG1 ILE 17 -3.342 -1.417 -2.290 133 HG21 ILE 17 1HG2 ILE 17 -6.323 -1.985 -0.266 134 HG22 ILE 17 2HG2 ILE 17 -7.019 -0.848 -1.445 135 HG23 ILE 17 3HG2 ILE 17 -7.432 -2.559 -1.537 136 HD11 ILE 17 3HD1 ILE 17 -4.792 0.194 -3.462 137 HD12 ILE 17 1HD1 ILE 17 -5.374 0.765 -1.873 138 HD13 ILE 17 2HD1 ILE 17 -3.646 0.890 -2.299 139 H THR 18 H THR 18 -6.134 -4.887 -0.248 140 HA THR 18 HA THR 18 -7.794 -6.376 -2.173 141 HB THR 18 HB THR 18 -6.272 -7.997 -0.132 142 HG1 THR 18 1HG THR 18 -5.237 -7.022 -2.563 143 HG21 THR 18 3HG2 THR 18 -8.016 -9.094 -1.547 144 HG22 THR 18 1HG2 THR 18 -6.395 -9.755 -1.833 145 HG23 THR 18 2HG2 THR 18 -7.094 -8.623 -3.003 146 H ALA 19 H ALA 19 -9.539 -7.561 -1.056 147 HA ALA 19 HA ALA 19 -10.270 -6.215 1.461 148 HB1 ALA 19 1HB ALA 19 -12.449 -7.372 1.144 149 HB2 ALA 19 2HB ALA 19 -11.983 -6.355 -0.213 150 HB3 ALA 19 3HB ALA 19 -11.813 -8.126 -0.331 151 H ILE 20 H ILE 20 -10.822 -7.214 3.304 152 HA ILE 20 HA ILE 20 -10.262 -10.070 3.741 153 HB ILE 20 HB ILE 20 -9.164 -9.260 5.950 154 HG12 ILE 20 2HG1 ILE 20 -8.540 -6.787 4.287 155 HG13 ILE 20 3HG1 ILE 20 -9.647 -6.865 5.653 156 HG21 ILE 20 1HG2 ILE 20 -8.065 -10.471 4.079 157 HG22 ILE 20 2HG2 ILE 20 -7.668 -8.896 3.341 158 HG23 ILE 20 3HG2 ILE 20 -6.975 -9.358 4.914 159 HD11 ILE 20 3HD1 ILE 20 -7.572 -5.974 6.449 160 HD12 ILE 20 1HD1 ILE 20 -7.735 -7.607 7.108 161 HD13 ILE 20 2HD1 ILE 20 -6.646 -7.296 5.726 162 H ARG 21 H ARG 21 -11.887 -10.910 5.008 163 HA ARG 21 HA ARG 21 -13.608 -9.015 6.533 164 HB2 ARG 21 2HB ARG 21 -14.630 -11.176 4.650 165 HB3 ARG 21 3HB ARG 21 -15.584 -10.359 5.882 166 HG2 ARG 21 2HG ARG 21 -16.115 -8.962 4.143 167 HG3 ARG 21 3HG ARG 21 -14.678 -8.140 4.703 168 HD2 ARG 21 2HD ARG 21 -14.405 -8.284 2.363 169 HD3 ARG 21 3HD ARG 21 -13.429 -9.641 2.941 170 HE ARG 21 HE ARG 21 -15.248 -11.152 2.390 171 HH11 ARG 21 1HH1 ARG 21 -15.678 -7.865 0.958 172 HH12 ARG 21 2HH1 ARG 21 -16.735 -8.479 -0.238 173 HH21 ARG 21 1HH2 ARG 21 -16.750 -11.822 0.873 174 HH22 ARG 21 2HH2 ARG 21 -17.471 -10.700 -0.215 175 H ALA 22 H ALA 22 -14.063 -9.685 8.518 176 HA ALA 22 HA ALA 22 -12.717 -12.055 9.509 177 HB1 ALA 22 1HB ALA 22 -13.523 -11.326 11.688 178 HB2 ALA 22 2HB ALA 22 -12.876 -9.921 10.818 179 HB3 ALA 22 3HB ALA 22 -14.639 -10.167 10.944 180 H GLN 23 H GLN 23 -13.777 -13.842 10.506 181 HA GLN 23 HA GLN 23 -16.655 -14.200 10.229 182 HB2 GLN 23 2HB GLN 23 -16.464 -16.196 8.729 183 HB3 GLN 23 3HB GLN 23 -16.165 -14.640 7.990 184 HG2 GLN 23 2HG GLN 23 -13.636 -15.140 8.245 185 HG3 GLN 23 3HG GLN 23 -14.129 -16.791 8.637 186 HE21 GLN 23 1HE2 GLN 23 -13.646 -17.973 6.863 187 HE22 GLN 23 2HE2 GLN 23 -14.116 -17.653 5.221 188 H GLY 24 H GLY 24 -13.616 -16.236 10.556 189 HA2 GLY 24 2HA GLY 24 -14.870 -17.807 12.638 190 HA3 GLY 24 3HA GLY 24 -13.182 -17.877 12.086 191 H ALA 25 H ALA 25 -13.448 -18.053 14.733 192 HA ALA 25 HA ALA 25 -13.621 -15.615 16.165 193 HB1 ALA 25 1HB ALA 25 -12.732 -16.850 18.040 194 HB2 ALA 25 2HB ALA 25 -13.841 -17.890 17.160 195 HB3 ALA 25 3HB ALA 25 -12.085 -18.112 16.975 196 H GLY 26 H GLY 26 -11.825 -14.626 17.475 197 HA2 GLY 26 2HA GLY 26 -9.195 -14.559 16.109 198 HA3 GLY 26 3HA GLY 26 -10.096 -13.046 16.355 199 H GLY 27 H GLY 27 -7.532 -13.719 17.445 200 HA2 GLY 27 2HA GLY 27 -6.306 -14.023 19.370 201 HA3 GLY 27 3HA GLY 27 -7.280 -12.625 19.835 202 H GLN 28 H GLN 28 -8.732 -12.827 21.474 203 HA GLN 28 HA GLN 28 -9.210 -15.540 22.637 204 HB2 GLN 28 2HB GLN 28 -8.633 -12.915 24.085 205 HB3 GLN 28 3HB GLN 28 -9.335 -14.333 24.841 206 HG2 GLN 28 2HG GLN 28 -7.070 -14.551 25.361 207 HG3 GLN 28 3HG GLN 28 -7.305 -15.666 24.024 208 HE21 GLN 28 1HE2 GLN 28 -5.482 -15.619 22.770 209 HE22 GLN 28 2HE2 GLN 28 -4.522 -14.187 22.404 210 H HIS 29 H HIS 29 -10.375 -12.134 22.491 211 HA HIS 29 HA HIS 29 -13.055 -13.024 21.804 212 HB2 HIS 29 2HB HIS 29 -13.106 -13.183 24.264 213 HB3 HIS 29 3HB HIS 29 -12.553 -11.514 24.381 214 HD1 HIS 29 1HD HIS 29 -15.572 -13.233 22.495 215 HD2 HIS 29 2HD HIS 29 -14.521 -9.982 24.982 216 HE1 HIS 29 1HE HIS 29 -17.688 -11.890 22.851 217 H VAL 30 H VAL 30 -13.182 -11.846 20.010 218 HA VAL 30 HA VAL 30 -13.095 -8.980 20.077 219 HB VAL 30 HB VAL 30 -10.790 -9.225 19.664 220 HG11 VAL 30 1HG1 VAL 30 -9.773 -10.675 17.963 221 HG12 VAL 30 2HG1 VAL 30 -10.597 -11.595 19.201 222 HG13 VAL 30 3HG1 VAL 30 -11.372 -11.394 17.611 223 HG21 VAL 30 3HG2 VAL 30 -10.475 -8.284 17.490 224 HG22 VAL 30 1HG2 VAL 30 -11.976 -9.022 16.878 225 HG23 VAL 30 2HG2 VAL 30 -12.046 -7.733 18.087 226 H ASN 31 H ASN 31 -14.396 -8.194 18.391 227 HA ASN 31 HA ASN 31 -15.755 -10.060 16.576 228 HB2 ASN 31 2HB ASN 31 -17.305 -8.122 18.342 229 HB3 ASN 31 3HB ASN 31 -17.940 -9.417 17.331 230 HD21 ASN 31 1HD2 ASN 31 -16.536 -8.603 20.439 231 HD22 ASN 31 2HD2 ASN 31 -16.786 -10.170 21.182 232 H LYS 32 H LYS 32 -17.392 -8.349 15.305 233 HA LYS 32 HA LYS 32 -17.448 -6.832 13.682 234 HB2 LYS 32 2HB LYS 32 -16.636 -5.062 16.005 235 HB3 LYS 32 3HB LYS 32 -17.231 -4.470 14.451 236 HG2 LYS 32 2HG LYS 32 -19.268 -5.980 14.789 237 HG3 LYS 32 3HG LYS 32 -18.754 -6.144 16.469 238 HD2 LYS 32 2HD LYS 32 -19.009 -3.778 16.855 239 HD3 LYS 32 3HD LYS 32 -19.132 -3.427 15.132 240 HE2 LYS 32 2HE LYS 32 -21.330 -3.857 15.033 241 HE3 LYS 32 3HE LYS 32 -21.139 -5.402 15.874 242 HZ1 LYS 32 3HZ LYS 32 -21.095 -4.189 17.961 243 HZ2 LYS 32 1HZ LYS 32 -22.514 -3.956 17.170 244 HZ3 LYS 32 2HZ LYS 32 -21.386 -2.769 17.158 245 H THR 33 H THR 33 -14.341 -7.558 14.513 246 HA THR 33 HA THR 33 -12.819 -5.600 13.172 247 HB THR 33 HB THR 33 -11.885 -6.987 14.847 248 HG1 THR 33 1HG THR 33 -10.462 -6.503 12.998 249 HG21 THR 33 3HG2 THR 33 -12.524 -9.388 13.107 250 HG22 THR 33 1HG2 THR 33 -13.104 -9.031 14.768 251 HG23 THR 33 2HG2 THR 33 -11.423 -9.437 14.484 252 H SER 34 H SER 34 -15.188 -7.125 11.593 253 HA SER 34 HA SER 34 -13.890 -8.116 9.238 254 HB2 SER 34 2HB SER 34 -16.660 -7.460 8.822 255 HB3 SER 34 3HB SER 34 -15.938 -9.050 8.998 256 HG SER 34 HG SER 34 -17.699 -8.113 10.461 257 H THR 35 H THR 35 -14.980 -7.061 7.078 258 HA THR 35 HA THR 35 -14.990 -5.394 5.619 259 HB THR 35 HB THR 35 -15.602 -3.321 7.718 260 HG1 THR 35 1HG THR 35 -17.271 -5.505 6.894 261 HG21 THR 35 3HG2 THR 35 -15.629 -2.810 5.353 262 HG22 THR 35 1HG2 THR 35 -17.272 -2.681 6.029 263 HG23 THR 35 2HG2 THR 35 -16.802 -4.095 5.031 264 H ALA 36 H ALA 36 -12.383 -5.940 6.909 265 HA ALA 36 HA ALA 36 -11.133 -3.258 6.968 266 HB1 ALA 36 1HB ALA 36 -10.677 -4.880 8.747 267 HB2 ALA 36 2HB ALA 36 -9.987 -6.001 7.571 268 HB3 ALA 36 3HB ALA 36 -9.208 -4.422 7.846 269 H ILE 37 H ILE 37 -8.775 -3.367 5.932 270 HA ILE 37 HA ILE 37 -8.939 -4.613 3.253 271 HB ILE 37 HB ILE 37 -8.452 -1.678 3.869 272 HG12 ILE 37 2HG1 ILE 37 -10.818 -2.348 3.362 273 HG13 ILE 37 3HG1 ILE 37 -10.138 -1.208 2.204 274 HG21 ILE 37 1HG2 ILE 37 -6.629 -2.326 2.361 275 HG22 ILE 37 2HG2 ILE 37 -7.730 -3.204 1.322 276 HG23 ILE 37 3HG2 ILE 37 -7.841 -1.439 1.436 277 HD11 ILE 37 3HD1 ILE 37 -10.441 -4.204 1.796 278 HD12 ILE 37 1HD1 ILE 37 -11.431 -2.936 1.056 279 HD13 ILE 37 2HD1 ILE 37 -9.748 -3.092 0.601 280 H HIS 38 H HIS 38 -7.070 -5.221 2.458 281 HA HIS 38 HA HIS 38 -4.785 -5.286 4.329 282 HB2 HIS 38 2HB HIS 38 -5.754 -7.507 3.602 283 HB3 HIS 38 3HB HIS 38 -5.397 -7.081 1.929 284 HD1 HIS 38 1HD HIS 38 -2.681 -7.105 1.258 285 HD2 HIS 38 2HD HIS 38 -3.812 -8.445 5.096 286 HE1 HIS 38 1HE HIS 38 -0.673 -8.293 2.249 287 H LEU 39 H LEU 39 -3.019 -4.139 3.680 288 HA LEU 39 HA LEU 39 -2.927 -2.992 0.922 289 HB2 LEU 39 2HB LEU 39 -3.406 -1.281 2.550 290 HB3 LEU 39 3HB LEU 39 -2.160 -1.841 3.648 291 HG LEU 39 HG LEU 39 -1.427 -0.990 0.859 292 HD11 LEU 39 1HD1 LEU 39 -1.100 1.299 1.405 293 HD12 LEU 39 2HD1 LEU 39 -1.609 1.043 3.078 294 HD13 LEU 39 3HD1 LEU 39 -2.778 0.895 1.738 295 HD21 LEU 39 3HD2 LEU 39 -0.007 -0.812 3.585 296 HD22 LEU 39 1HD2 LEU 39 0.654 -0.144 2.099 297 HD23 LEU 39 2HD2 LEU 39 0.464 -1.862 2.241 298 H ARG 40 H ARG 40 -1.281 -4.027 -0.226 299 HA ARG 40 HA ARG 40 1.056 -5.007 1.307 300 HB2 ARG 40 2HB ARG 40 -0.398 -6.826 0.583 301 HB3 ARG 40 3HB ARG 40 -0.385 -6.249 -1.082 302 HG2 ARG 40 2HG ARG 40 1.966 -6.722 -1.342 303 HG3 ARG 40 3HG ARG 40 2.137 -6.955 0.409 304 HD2 ARG 40 2HD ARG 40 1.988 -9.141 -0.134 305 HD3 ARG 40 3HD ARG 40 0.249 -8.806 -0.039 306 HE ARG 40 HE ARG 40 1.003 -8.263 -2.689 307 HH11 ARG 40 1HH1 ARG 40 1.444 -11.132 -0.628 308 HH12 ARG 40 2HH1 ARG 40 1.272 -12.204 -1.975 309 HH21 ARG 40 1HH2 ARG 40 0.552 -9.678 -4.309 310 HH22 ARG 40 2HH2 ARG 40 0.669 -11.404 -4.079 311 H PHE 41 H PHE 41 2.795 -3.894 0.758 312 HA PHE 41 HA PHE 41 3.001 -2.628 -1.927 313 HB2 PHE 41 2HB PHE 41 2.984 -0.964 -0.145 314 HB3 PHE 41 3HB PHE 41 4.196 -1.852 0.756 315 HD1 PHE 41 2HD PHE 41 3.851 -0.824 -2.835 316 HD2 PHE 41 1HD PHE 41 6.195 -0.641 0.759 317 HE1 PHE 41 2HE PHE 41 5.590 0.414 -4.064 318 HE2 PHE 41 1HE PHE 41 7.970 0.601 -0.462 319 HZ PHE 41 HZ PHE 41 7.660 1.118 -2.895 320 H ASP 42 H ASP 42 4.215 -3.833 -3.234 321 HA ASP 42 HA ASP 42 6.315 -5.645 -2.257 322 HB2 ASP 42 2HB ASP 42 4.928 -5.080 -4.886 323 HB3 ASP 42 3HB ASP 42 6.484 -5.924 -4.853 324 H ILE 43 H ILE 43 8.118 -4.483 -1.674 325 HA ILE 43 HA ILE 43 8.913 -2.005 -2.835 326 HB ILE 43 HB ILE 43 10.495 -4.131 -1.336 327 HG12 ILE 43 2HG1 ILE 43 9.874 -1.450 -0.133 328 HG13 ILE 43 3HG1 ILE 43 8.494 -2.537 -0.302 329 HG21 ILE 43 1HG2 ILE 43 11.284 -1.329 -2.185 330 HG22 ILE 43 2HG2 ILE 43 12.144 -2.251 -0.913 331 HG23 ILE 43 3HG2 ILE 43 12.092 -2.862 -2.572 332 HD11 ILE 43 3HD1 ILE 43 9.521 -4.260 1.005 333 HD12 ILE 43 1HD1 ILE 43 11.086 -3.404 1.041 334 HD13 ILE 43 2HD1 ILE 43 9.678 -2.755 1.900 335 H ARG 44 H ARG 44 9.929 -5.401 -3.587 336 HA ARG 44 HA ARG 44 11.785 -4.563 -5.651 337 HB2 ARG 44 2HB ARG 44 10.466 -7.223 -5.091 338 HB3 ARG 44 3HB ARG 44 11.744 -7.006 -6.273 339 HG2 ARG 44 2HG ARG 44 13.412 -6.846 -4.727 340 HG3 ARG 44 3HG ARG 44 12.428 -5.955 -3.561 341 HD2 ARG 44 2HD ARG 44 12.844 -8.087 -2.580 342 HD3 ARG 44 3HD ARG 44 11.160 -7.999 -3.085 343 HE ARG 44 HE ARG 44 13.353 -9.489 -4.483 344 HH11 ARG 44 1HH1 ARG 44 9.920 -9.363 -3.567 345 HH12 ARG 44 2HH1 ARG 44 9.472 -10.673 -4.591 346 HH21 ARG 44 1HH2 ARG 44 12.764 -11.158 -5.807 347 HH22 ARG 44 2HH2 ARG 44 11.112 -11.736 -5.905 348 H ALA 45 H ALA 45 8.423 -4.361 -5.709 349 HA ALA 45 HA ALA 45 8.392 -4.549 -8.679 350 HB1 ALA 45 1HB ALA 45 7.062 -6.349 -7.518 351 HB2 ALA 45 2HB ALA 45 6.013 -5.043 -6.893 352 HB3 ALA 45 3HB ALA 45 6.160 -5.296 -8.630 353 H SER 46 H SER 46 8.977 -2.305 -6.593 354 HA SER 46 HA SER 46 6.793 -0.449 -7.351 355 HB2 SER 46 2HB SER 46 7.549 0.875 -5.496 356 HB3 SER 46 3HB SER 46 7.383 -0.792 -4.948 357 HG SER 46 HG SER 46 9.626 -1.033 -5.069 358 H SER 47 H SER 47 8.111 1.966 -7.252 359 HA SER 47 HA SER 47 10.088 1.850 -9.461 360 HB2 SER 47 2HB SER 47 7.784 2.675 -10.104 361 HB3 SER 47 3HB SER 47 8.019 4.016 -8.969 362 HG SER 47 HG SER 47 9.599 4.818 -10.201 363 H LEU 48 H LEU 48 10.074 1.905 -6.343 364 HA LEU 48 HA LEU 48 11.033 4.425 -5.454 365 HB2 LEU 48 2HB LEU 48 11.451 1.565 -4.445 366 HB3 LEU 48 3HB LEU 48 12.056 2.953 -3.577 367 HG LEU 48 HG LEU 48 9.145 2.271 -4.083 368 HD11 LEU 48 1HD1 LEU 48 9.156 2.239 -1.554 369 HD12 LEU 48 2HD1 LEU 48 10.904 2.510 -1.585 370 HD13 LEU 48 3HD1 LEU 48 10.221 1.021 -2.274 371 HD21 LEU 48 3HD2 LEU 48 9.307 4.694 -4.257 372 HD22 LEU 48 1HD2 LEU 48 10.280 4.760 -2.767 373 HD23 LEU 48 2HD2 LEU 48 8.559 4.250 -2.747 374 HA PRO 49 HA PRO 49 15.195 4.503 -6.767 375 HB2 PRO 49 2HB PRO 49 16.521 5.669 -4.658 376 HB3 PRO 49 3HB PRO 49 15.487 6.559 -5.803 377 HG2 PRO 49 2HG PRO 49 14.807 5.550 -3.070 378 HG3 PRO 49 3HG PRO 49 14.388 7.134 -3.791 379 HD2 PRO 49 2HD PRO 49 12.632 5.044 -3.646 380 HD3 PRO 49 3HD PRO 49 12.593 6.173 -5.020 381 H GLU 50 H GLU 50 17.141 3.351 -6.540 382 HA GLU 50 HA GLU 50 17.158 0.850 -5.350 383 HB2 GLU 50 2HB GLU 50 19.517 0.767 -5.934 384 HB3 GLU 50 3HB GLU 50 18.597 1.583 -7.202 385 HG2 GLU 50 2HG GLU 50 19.287 3.799 -6.015 386 HG3 GLU 50 3HG GLU 50 20.446 2.810 -5.140 387 H TYR 51 H TYR 51 18.374 3.901 -3.951 388 HA TYR 51 HA TYR 51 19.583 2.938 -1.607 389 HB2 TYR 51 2HB TYR 51 19.662 5.265 -2.478 390 HB3 TYR 51 3HB TYR 51 17.964 5.474 -2.088 391 HD1 TYR 51 2HD TYR 51 17.260 5.320 0.463 392 HD2 TYR 51 1HD TYR 51 21.319 5.848 -0.912 393 HE1 TYR 51 2HE TYR 51 17.861 6.296 2.635 394 HE2 TYR 51 1HE TYR 51 21.935 6.767 1.298 395 HH TYR 51 HH TYR 51 21.161 7.359 3.480 396 H TYR 52 H TYR 52 16.139 3.840 -2.195 397 HA TYR 52 HA TYR 52 15.334 3.228 0.512 398 HB2 TYR 52 2HB TYR 52 13.749 3.739 -2.011 399 HB3 TYR 52 3HB TYR 52 12.993 3.133 -0.558 400 HD1 TYR 52 2HD TYR 52 15.689 5.823 -0.961 401 HD2 TYR 52 1HD TYR 52 11.677 4.857 0.311 402 HE1 TYR 52 2HE TYR 52 15.502 8.023 0.088 403 HE2 TYR 52 1HE TYR 52 11.443 7.116 1.260 404 HH TYR 52 HH TYR 52 14.247 9.338 1.520 405 H LYS 53 H LYS 53 15.701 1.234 -2.463 406 HA LYS 53 HA LYS 53 14.085 -0.923 -1.565 407 HB2 LYS 53 2HB LYS 53 16.733 -1.116 -3.102 408 HB3 LYS 53 3HB LYS 53 15.550 -2.382 -2.973 409 HG2 LYS 53 2HG LYS 53 14.968 0.292 -4.320 410 HG3 LYS 53 3HG LYS 53 15.630 -1.117 -5.132 411 HD2 LYS 53 2HD LYS 53 13.591 -2.429 -4.244 412 HD3 LYS 53 3HD LYS 53 12.935 -0.847 -3.765 413 HE2 LYS 53 2HE LYS 53 12.002 -1.444 -5.896 414 HE3 LYS 53 3HE LYS 53 13.113 -0.090 -6.118 415 HZ1 LYS 53 3HZ LYS 53 13.217 -2.046 -7.724 416 HZ2 LYS 53 1HZ LYS 53 13.981 -2.874 -6.543 417 HZ3 LYS 53 2HZ LYS 53 14.658 -1.495 -7.147 418 H GLU 54 H GLU 54 17.583 -0.378 -1.160 419 HA GLU 54 HA GLU 54 18.011 -2.563 0.595 420 HB2 GLU 54 2HB GLU 54 19.620 0.018 0.391 421 HB3 GLU 54 3HB GLU 54 20.160 -1.548 1.010 422 HG2 GLU 54 2HG GLU 54 19.516 -2.542 -1.216 423 HG3 GLU 54 3HG GLU 54 19.310 -0.922 -1.853 424 H ARG 55 H ARG 55 17.101 0.809 1.263 425 HA ARG 55 HA ARG 55 17.490 0.528 4.111 426 HB2 ARG 55 2HB ARG 55 16.231 2.590 2.396 427 HB3 ARG 55 3HB ARG 55 15.445 2.385 3.951 428 HG2 ARG 55 2HG ARG 55 17.184 4.104 4.131 429 HG3 ARG 55 3HG ARG 55 17.629 2.695 5.124 430 HD2 ARG 55 2HD ARG 55 18.993 1.854 3.236 431 HD3 ARG 55 3HD ARG 55 18.553 3.303 2.304 432 HE ARG 55 HE ARG 55 19.686 4.486 4.397 433 HH11 ARG 55 1HH1 ARG 55 20.924 1.538 2.813 434 HH12 ARG 55 2HH1 ARG 55 22.533 2.109 2.657 435 HH21 ARG 55 1HH2 ARG 55 21.835 5.015 4.656 436 HH22 ARG 55 2HH2 ARG 55 23.110 4.065 3.946 437 H LEU 56 H LEU 56 14.575 0.041 2.134 438 HA LEU 56 HA LEU 56 12.967 -0.709 4.418 439 HB2 LEU 56 2HB LEU 56 12.570 -1.147 1.434 440 HB3 LEU 56 3HB LEU 56 11.337 -1.382 2.673 441 HG LEU 56 HG LEU 56 12.703 1.280 1.992 442 HD11 LEU 56 1HD1 LEU 56 11.230 0.514 0.221 443 HD12 LEU 56 2HD1 LEU 56 10.593 1.953 1.025 444 HD13 LEU 56 3HD1 LEU 56 9.883 0.359 1.388 445 HD21 LEU 56 3HD2 LEU 56 10.484 0.758 3.961 446 HD22 LEU 56 1HD2 LEU 56 11.027 2.355 3.357 447 HD23 LEU 56 2HD2 LEU 56 12.145 1.354 4.276 448 H LEU 57 H LEU 57 14.784 -2.589 1.937 449 HA LEU 57 HA LEU 57 13.829 -5.157 2.784 450 HB2 LEU 57 2HB LEU 57 16.304 -4.208 1.286 451 HB3 LEU 57 3HB LEU 57 16.059 -5.900 1.654 452 HG LEU 57 HG LEU 57 13.940 -4.347 0.130 453 HD11 LEU 57 1HD1 LEU 57 14.940 -5.242 -1.947 454 HD12 LEU 57 2HD1 LEU 57 16.293 -5.915 -1.010 455 HD13 LEU 57 3HD1 LEU 57 16.078 -4.162 -1.121 456 HD21 LEU 57 3HD2 LEU 57 13.356 -6.596 -0.699 457 HD22 LEU 57 1HD2 LEU 57 13.274 -6.531 1.077 458 HD23 LEU 57 2HD2 LEU 57 14.646 -7.310 0.285 459 H ALA 58 H ALA 58 16.747 -3.209 3.750 460 HA ALA 58 HA ALA 58 17.525 -5.384 5.555 461 HB1 ALA 58 1HB ALA 58 18.848 -2.768 4.852 462 HB2 ALA 58 2HB ALA 58 19.499 -3.952 6.006 463 HB3 ALA 58 3HB ALA 58 19.271 -4.385 4.302 464 H ALA 59 H ALA 59 15.158 -3.149 5.802 465 HA ALA 59 HA ALA 59 15.664 -1.991 8.356 466 HB1 ALA 59 1HB ALA 59 13.871 -1.488 6.421 467 HB2 ALA 59 2HB ALA 59 12.863 -2.553 7.394 468 HB3 ALA 59 3HB ALA 59 13.592 -1.076 8.106 469 H SER 60 H SER 60 13.897 -2.522 10.207 470 HA SER 60 HA SER 60 13.627 -5.477 10.480 471 HB2 SER 60 2HB SER 60 15.643 -4.579 11.676 472 HB3 SER 60 3HB SER 60 14.546 -3.572 12.645 473 HG SER 60 HG SER 60 14.747 -5.359 13.811 474 H HIS 61 H HIS 61 11.445 -5.375 9.874 475 HA HIS 61 HA HIS 61 9.736 -4.263 12.029 476 HB2 HIS 61 2HB HIS 61 9.839 -3.000 9.587 477 HB3 HIS 61 3HB HIS 61 8.596 -4.144 9.277 478 HD1 HIS 61 1HD HIS 61 6.943 -4.115 12.019 479 HD2 HIS 61 2HD HIS 61 8.577 -0.762 10.051 480 HE1 HIS 61 1HE HIS 61 5.547 -2.129 12.700 481 H HIS 62 H HIS 62 8.485 -5.773 12.825 482 HA HIS 62 HA HIS 62 8.126 -8.381 11.871 483 HB2 HIS 62 2HB HIS 62 6.362 -8.496 13.613 484 HB3 HIS 62 3HB HIS 62 7.803 -7.687 14.209 485 HD1 HIS 62 1HD HIS 62 7.599 -4.954 14.527 486 HD2 HIS 62 2HD HIS 62 4.082 -7.086 13.579 487 HE1 HIS 62 1HE HIS 62 5.671 -3.314 14.806 488 H LEU 63 H LEU 63 6.915 -5.689 10.365 489 HA LEU 63 HA LEU 63 4.343 -6.844 9.405 490 HB2 LEU 63 2HB LEU 63 5.452 -4.016 9.295 491 HB3 LEU 63 3HB LEU 63 3.938 -4.539 8.559 492 HG LEU 63 HG LEU 63 4.569 -4.446 11.527 493 HD11 LEU 63 1HD1 LEU 63 2.883 -2.688 11.576 494 HD12 LEU 63 2HD1 LEU 63 2.596 -2.864 9.822 495 HD13 LEU 63 3HD1 LEU 63 4.151 -2.258 10.428 496 HD21 LEU 63 3HD2 LEU 63 2.177 -5.016 11.892 497 HD22 LEU 63 1HD2 LEU 63 3.060 -6.344 11.147 498 HD23 LEU 63 2HD2 LEU 63 1.998 -5.324 10.149 499 H ILE 64 H ILE 64 7.695 -6.478 8.495 500 HA ILE 64 HA ILE 64 6.966 -6.502 5.628 501 HB ILE 64 HB ILE 64 9.547 -5.816 7.087 502 HG12 ILE 64 2HG1 ILE 64 7.572 -4.127 5.506 503 HG13 ILE 64 3HG1 ILE 64 7.688 -4.119 7.246 504 HG21 ILE 64 1HG2 ILE 64 10.041 -6.857 4.892 505 HG22 ILE 64 2HG2 ILE 64 8.950 -5.709 4.084 506 HG23 ILE 64 3HG2 ILE 64 10.454 -5.167 4.876 507 HD11 ILE 64 3HD1 ILE 64 8.760 -2.197 6.430 508 HD12 ILE 64 1HD1 ILE 64 10.012 -3.274 7.101 509 HD13 ILE 64 2HD1 ILE 64 9.807 -3.103 5.335 510 H SER 65 H SER 65 7.660 -8.121 4.342 511 HA SER 65 HA SER 65 8.445 -10.683 5.599 512 HB2 SER 65 2HB SER 65 7.634 -10.166 2.719 513 HB3 SER 65 3HB SER 65 7.535 -11.652 3.671 514 HG SER 65 HG SER 65 5.972 -10.217 5.003 515 H SER 66 H SER 66 10.338 -11.848 4.743 516 HA SER 66 HA SER 66 12.535 -10.254 3.990 517 HB2 SER 66 2HB SER 66 12.007 -13.242 3.951 518 HB3 SER 66 3HB SER 66 13.549 -12.549 3.395 519 HG SER 66 HG SER 66 13.865 -11.596 5.293 520 H ASP 67 H ASP 67 10.000 -11.461 1.870 521 HA ASP 67 HA ASP 67 11.788 -11.323 -0.447 522 HB2 ASP 67 2HB ASP 67 9.827 -12.988 -0.096 523 HB3 ASP 67 3HB ASP 67 8.799 -11.665 -0.662 524 H GLY 68 H GLY 68 11.132 -8.972 1.357 525 HA2 GLY 68 2HA GLY 68 11.001 -6.719 1.161 526 HA3 GLY 68 3HA GLY 68 11.190 -6.920 -0.598 527 H VAL 69 H VAL 69 8.610 -7.867 1.727 528 HA VAL 69 HA VAL 69 6.705 -6.223 0.129 529 HB VAL 69 HB VAL 69 6.088 -8.933 1.355 530 HG11 VAL 69 1HG1 VAL 69 4.677 -7.225 -0.739 531 HG12 VAL 69 2HG1 VAL 69 4.159 -8.821 -0.168 532 HG13 VAL 69 3HG1 VAL 69 4.184 -7.451 0.962 533 HG21 VAL 69 3HG2 VAL 69 6.115 -9.769 -1.053 534 HG22 VAL 69 1HG2 VAL 69 7.034 -8.311 -1.463 535 HG23 VAL 69 2HG2 VAL 69 7.691 -9.501 -0.322 536 H ILE 70 H ILE 70 5.716 -4.733 1.361 537 HA ILE 70 HA ILE 70 5.807 -4.975 4.335 538 HB ILE 70 HB ILE 70 4.989 -2.563 2.657 539 HG12 ILE 70 2HG1 ILE 70 7.774 -3.360 3.504 540 HG13 ILE 70 3HG1 ILE 70 7.182 -2.806 1.951 541 HG21 ILE 70 1HG2 ILE 70 5.294 -1.304 4.723 542 HG22 ILE 70 2HG2 ILE 70 4.154 -2.607 4.972 543 HG23 ILE 70 3HG2 ILE 70 5.816 -2.779 5.563 544 HD11 ILE 70 3HD1 ILE 70 7.618 -1.098 4.437 545 HD12 ILE 70 1HD1 ILE 70 8.522 -1.050 2.921 546 HD13 ILE 70 2HD1 ILE 70 6.837 -0.507 2.955 547 H VAL 71 H VAL 71 3.819 -5.453 5.425 548 HA VAL 71 HA VAL 71 1.360 -5.042 3.821 549 HB VAL 71 HB VAL 71 0.387 -7.051 4.829 550 HG11 VAL 71 1HG1 VAL 71 1.457 -8.601 3.270 551 HG12 VAL 71 2HG1 VAL 71 1.254 -7.000 2.547 552 HG13 VAL 71 3HG1 VAL 71 2.858 -7.527 3.110 553 HG21 VAL 71 3HG2 VAL 71 1.694 -8.778 5.817 554 HG22 VAL 71 1HG2 VAL 71 3.214 -7.881 5.556 555 HG23 VAL 71 2HG2 VAL 71 2.017 -7.308 6.738 556 H ILE 72 H ILE 72 -0.330 -4.158 4.747 557 HA ILE 72 HA ILE 72 -0.313 -3.565 7.667 558 HB ILE 72 HB ILE 72 -0.930 -1.569 5.464 559 HG12 ILE 72 2HG1 ILE 72 1.543 -1.751 7.246 560 HG13 ILE 72 3HG1 ILE 72 1.480 -2.027 5.502 561 HG21 ILE 72 1HG2 ILE 72 -1.058 0.119 7.233 562 HG22 ILE 72 2HG2 ILE 72 -2.240 -1.137 7.497 563 HG23 ILE 72 3HG2 ILE 72 -0.742 -1.122 8.468 564 HD11 ILE 72 3HD1 ILE 72 1.351 0.560 6.952 565 HD12 ILE 72 1HD1 ILE 72 2.256 0.053 5.500 566 HD13 ILE 72 2HD1 ILE 72 0.523 0.405 5.384 567 H LYS 73 H LYS 73 -2.458 -3.411 8.521 568 HA LYS 73 HA LYS 73 -4.675 -4.081 6.680 569 HB2 LYS 73 2HB LYS 73 -4.181 -5.487 9.330 570 HB3 LYS 73 3HB LYS 73 -5.446 -5.827 8.138 571 HG2 LYS 73 2HG LYS 73 -3.618 -6.439 6.489 572 HG3 LYS 73 3HG LYS 73 -2.430 -6.192 7.769 573 HD2 LYS 73 2HD LYS 73 -3.669 -7.918 9.140 574 HD3 LYS 73 3HD LYS 73 -4.511 -8.367 7.640 575 HE2 LYS 73 2HE LYS 73 -2.458 -8.973 6.552 576 HE3 LYS 73 3HE LYS 73 -1.490 -8.072 7.727 577 HZ1 LYS 73 3HZ LYS 73 -2.324 -9.715 9.400 578 HZ2 LYS 73 1HZ LYS 73 -1.211 -10.252 8.350 579 HZ3 LYS 73 2HZ LYS 73 -2.762 -10.694 8.116 580 H ALA 74 H ALA 74 -5.601 -2.096 6.812 581 HA ALA 74 HA ALA 74 -5.753 -0.675 9.411 582 HB1 ALA 74 1HB ALA 74 -6.911 1.050 7.930 583 HB2 ALA 74 2HB ALA 74 -5.220 0.721 7.547 584 HB3 ALA 74 3HB ALA 74 -6.525 -0.008 6.562 585 H GLN 75 H GLN 75 -7.547 -0.478 10.629 586 HA GLN 75 HA GLN 75 -10.185 -1.075 9.614 587 HB2 GLN 75 2HB GLN 75 -10.258 -2.721 11.827 588 HB3 GLN 75 3HB GLN 75 -10.284 -3.192 10.148 589 HG2 GLN 75 2HG GLN 75 -7.761 -3.472 10.211 590 HG3 GLN 75 3HG GLN 75 -7.833 -3.135 11.944 591 HE21 GLN 75 1HE2 GLN 75 -7.983 -5.496 9.536 592 HE22 GLN 75 2HE2 GLN 75 -8.903 -6.744 10.346 593 H GLU 76 H GLU 76 -11.305 0.451 10.325 594 HA GLU 76 HA GLU 76 -11.616 1.234 13.042 595 HB2 GLU 76 2HB GLU 76 -10.941 3.616 12.758 596 HB3 GLU 76 3HB GLU 76 -9.639 2.440 12.855 597 HG2 GLU 76 2HG GLU 76 -9.586 2.614 10.255 598 HG3 GLU 76 3HG GLU 76 -10.424 4.144 10.616 599 H TYR 77 H TYR 77 -11.892 2.317 9.642 600 HA TYR 77 HA TYR 77 -14.446 3.555 9.889 601 HB2 TYR 77 2HB TYR 77 -12.890 2.468 7.515 602 HB3 TYR 77 3HB TYR 77 -14.430 3.292 7.353 603 HD1 TYR 77 1HD TYR 77 -10.917 3.682 8.561 604 HD2 TYR 77 2HD TYR 77 -14.549 5.679 7.371 605 HE1 TYR 77 1HE TYR 77 -9.787 5.839 8.844 606 HE2 TYR 77 2HE TYR 77 -13.325 7.857 7.384 607 HH TYR 77 HH TYR 77 -11.531 8.867 8.610 608 H ARG 78 H ARG 78 -16.417 2.802 8.724 609 HA ARG 78 HA ARG 78 -16.886 -0.081 9.311 610 HB2 ARG 78 2HB ARG 78 -18.848 2.247 9.177 611 HB3 ARG 78 3HB ARG 78 -19.255 0.569 9.551 612 HG2 ARG 78 2HG ARG 78 -17.585 0.702 11.489 613 HG3 ARG 78 3HG ARG 78 -17.536 2.448 11.228 614 HD2 ARG 78 2HD ARG 78 -20.052 0.826 11.818 615 HD3 ARG 78 3HD ARG 78 -19.104 1.688 13.025 616 HE ARG 78 HE ARG 78 -20.546 2.985 10.731 617 HH11 ARG 78 1HH1 ARG 78 -19.454 3.219 14.157 618 HH12 ARG 78 2HH1 ARG 78 -20.053 4.823 14.321 619 HH21 ARG 78 1HH2 ARG 78 -21.485 4.939 11.074 620 HH22 ARG 78 2HH2 ARG 78 -21.539 5.640 12.687 621 H SER 79 H SER 79 -15.982 1.503 6.631 622 HA SER 79 HA SER 79 -17.614 -0.264 4.892 623 HB2 SER 79 2HB SER 79 -17.438 2.740 4.822 624 HB3 SER 79 3HB SER 79 -17.512 1.873 3.283 625 HG SER 79 HG SER 79 -19.540 2.552 4.386 626 H GLN 80 H GLN 80 -16.333 -1.392 3.741 627 HA GLN 80 HA GLN 80 -13.599 -1.570 3.774 628 HB2 GLN 80 2HB GLN 80 -15.663 -3.143 3.091 629 HB3 GLN 80 3HB GLN 80 -15.255 -2.629 1.464 630 HG2 GLN 80 2HG GLN 80 -13.343 -3.886 1.418 631 HG3 GLN 80 3HG GLN 80 -12.973 -3.578 3.108 632 HE21 GLN 80 1HE2 GLN 80 -12.590 -5.537 3.872 633 HE22 GLN 80 2HE2 GLN 80 -13.689 -6.886 3.876 634 H GLU 81 H GLU 81 -14.722 1.118 2.567 635 HA GLU 81 HA GLU 81 -12.983 1.298 0.168 636 HB2 GLU 81 2HB GLU 81 -15.773 1.688 0.393 637 HB3 GLU 81 3HB GLU 81 -15.131 3.326 0.415 638 HG2 GLU 81 2HG GLU 81 -13.931 2.979 -1.648 639 HG3 GLU 81 3HG GLU 81 -14.266 1.246 -1.622 640 H LEU 82 H LEU 82 -13.519 2.333 3.339 641 HA LEU 82 HA LEU 82 -11.844 4.787 2.981 642 HB2 LEU 82 2HB LEU 82 -13.488 3.880 5.357 643 HB3 LEU 82 3HB LEU 82 -12.591 5.390 5.194 644 HG LEU 82 HG LEU 82 -14.812 5.976 4.944 645 HD11 LEU 82 1HD1 LEU 82 -13.383 6.990 3.211 646 HD12 LEU 82 2HD1 LEU 82 -15.062 6.763 2.670 647 HD13 LEU 82 3HD1 LEU 82 -13.812 5.665 2.101 648 HD21 LEU 82 3HD2 LEU 82 -16.490 4.939 3.629 649 HD22 LEU 82 1HD2 LEU 82 -15.680 3.708 4.619 650 HD23 LEU 82 2HD2 LEU 82 -15.349 3.833 2.873 651 H ASN 83 H ASN 83 -12.051 1.583 4.435 652 HA ASN 83 HA ASN 83 -9.916 1.824 6.303 653 HB2 ASN 83 2HB ASN 83 -10.836 -0.608 4.713 654 HB3 ASN 83 3HB ASN 83 -9.740 -0.661 6.091 655 HD21 ASN 83 1HD2 ASN 83 -10.933 -1.477 7.901 656 HD22 ASN 83 2HD2 ASN 83 -12.606 -1.044 8.169 657 H ARG 84 H ARG 84 -10.003 1.523 2.812 658 HA ARG 84 HA ARG 84 -7.330 0.680 2.371 659 HB2 ARG 84 2HB ARG 84 -7.605 1.712 0.107 660 HB3 ARG 84 3HB ARG 84 -8.683 0.403 0.531 661 HG2 ARG 84 2HG ARG 84 -10.545 1.650 0.582 662 HG3 ARG 84 3HG ARG 84 -9.761 3.134 1.128 663 HD2 ARG 84 2HD ARG 84 -9.367 1.964 -1.610 664 HD3 ARG 84 3HD ARG 84 -10.666 3.132 -1.201 665 HE ARG 84 HE ARG 84 -7.969 3.984 -0.440 666 HH11 ARG 84 1HH1 ARG 84 -9.809 3.729 -3.487 667 HH12 ARG 84 2HH1 ARG 84 -9.097 5.187 -4.104 668 HH21 ARG 84 1HH2 ARG 84 -7.173 5.989 -1.305 669 HH22 ARG 84 2HH2 ARG 84 -7.552 6.394 -2.927 670 H GLU 85 H GLU 85 -8.727 4.037 2.469 671 HA GLU 85 HA GLU 85 -6.157 5.211 2.018 672 HB2 GLU 85 2HB GLU 85 -7.201 7.360 2.570 673 HB3 GLU 85 3HB GLU 85 -8.150 6.445 1.388 674 HG2 GLU 85 2HG GLU 85 -9.783 5.847 3.015 675 HG3 GLU 85 3HG GLU 85 -8.723 6.361 4.346 676 H ALA 86 H ALA 86 -7.772 4.131 4.964 677 HA ALA 86 HA ALA 86 -6.161 5.685 6.714 678 HB1 ALA 86 1HB ALA 86 -8.288 4.656 7.376 679 HB2 ALA 86 2HB ALA 86 -7.577 3.037 7.203 680 HB3 ALA 86 3HB ALA 86 -6.975 4.152 8.453 681 H ALA 87 H ALA 87 -5.387 2.813 4.893 682 HA ALA 87 HA ALA 87 -3.118 2.094 6.640 683 HB1 ALA 87 1HB ALA 87 -4.296 0.247 5.611 684 HB2 ALA 87 2HB ALA 87 -4.054 0.942 3.987 685 HB3 ALA 87 3HB ALA 87 -2.680 0.336 4.949 686 H LEU 88 H LEU 88 -3.657 3.886 3.547 687 HA LEU 88 HA LEU 88 -0.972 3.734 2.681 688 HB2 LEU 88 2HB LEU 88 -1.468 5.365 1.104 689 HB3 LEU 88 3HB LEU 88 -3.000 4.594 1.407 690 HG LEU 88 HG LEU 88 -3.252 6.624 3.168 691 HD11 LEU 88 1HD1 LEU 88 -1.013 7.640 2.736 692 HD12 LEU 88 2HD1 LEU 88 -2.348 8.710 2.293 693 HD13 LEU 88 3HD1 LEU 88 -1.460 7.841 1.028 694 HD21 LEU 88 3HD2 LEU 88 -4.637 6.069 1.062 695 HD22 LEU 88 1HD2 LEU 88 -3.611 7.228 0.243 696 HD23 LEU 88 2HD2 LEU 88 -4.631 7.737 1.626 697 H ALA 89 H ALA 89 -2.553 5.762 5.089 698 HA ALA 89 HA ALA 89 -0.482 7.651 5.556 699 HB1 ALA 89 1HB ALA 89 -2.826 7.856 6.365 700 HB2 ALA 89 2HB ALA 89 -2.588 6.478 7.437 701 HB3 ALA 89 3HB ALA 89 -1.677 7.987 7.697 702 H ARG 90 H ARG 90 -1.213 4.466 7.099 703 HA ARG 90 HA ARG 90 0.985 4.446 8.883 704 HB2 ARG 90 2HB ARG 90 -0.739 2.276 7.619 705 HB3 ARG 90 3HB ARG 90 0.507 1.921 8.814 706 HG2 ARG 90 2HG ARG 90 -0.573 3.362 10.453 707 HG3 ARG 90 3HG ARG 90 -1.832 3.823 9.282 708 HD2 ARG 90 2HD ARG 90 -2.684 1.570 9.193 709 HD3 ARG 90 3HD ARG 90 -1.285 0.965 10.113 710 HE ARG 90 HE ARG 90 -2.843 3.064 11.431 711 HH11 ARG 90 1HH1 ARG 90 -2.539 -0.532 11.256 712 HH12 ARG 90 2HH1 ARG 90 -3.726 -0.731 12.500 713 HH21 ARG 90 1HH2 ARG 90 -4.460 2.666 12.934 714 HH22 ARG 90 2HH2 ARG 90 -4.548 1.146 13.719 715 H LEU 91 H LEU 91 0.691 3.305 5.466 716 HA LEU 91 HA LEU 91 3.223 2.022 5.419 717 HB2 LEU 91 2HB LEU 91 1.529 1.582 3.703 718 HB3 LEU 91 3HB LEU 91 1.570 3.254 3.208 719 HG LEU 91 HG LEU 91 3.946 2.990 2.513 720 HD11 LEU 91 1HD1 LEU 91 4.723 1.215 3.943 721 HD12 LEU 91 2HD1 LEU 91 4.846 0.647 2.280 722 HD13 LEU 91 3HD1 LEU 91 3.507 0.080 3.296 723 HD21 LEU 91 3HD2 LEU 91 2.161 0.944 1.195 724 HD22 LEU 91 1HD2 LEU 91 3.586 1.701 0.493 725 HD23 LEU 91 2HD2 LEU 91 2.149 2.676 0.862 726 H VAL 92 H VAL 92 2.274 5.349 4.482 727 HA VAL 92 HA VAL 92 4.785 6.227 3.660 728 HB VAL 92 HB VAL 92 2.523 7.683 5.134 729 HG11 VAL 92 1HG1 VAL 92 4.468 9.110 5.526 730 HG12 VAL 92 2HG1 VAL 92 4.934 8.999 3.820 731 HG13 VAL 92 3HG1 VAL 92 3.441 9.841 4.291 732 HG21 VAL 92 3HG2 VAL 92 2.160 6.722 2.839 733 HG22 VAL 92 1HG2 VAL 92 1.909 8.470 2.943 734 HG23 VAL 92 2HG2 VAL 92 3.416 7.824 2.267 735 H ALA 93 H ALA 93 3.348 6.115 6.896 736 HA ALA 93 HA ALA 93 5.345 7.505 8.356 737 HB1 ALA 93 1HB ALA 93 3.067 7.148 9.203 738 HB2 ALA 93 2HB ALA 93 3.362 5.394 9.306 739 HB3 ALA 93 3HB ALA 93 4.282 6.501 10.330 740 H MET 94 H MET 94 4.756 3.951 8.141 741 HA MET 94 HA MET 94 7.143 3.345 9.567 742 HB2 MET 94 2HB MET 94 6.905 1.069 8.798 743 HB3 MET 94 3HB MET 94 5.366 1.735 9.358 744 HG2 MET 94 2HG MET 94 4.759 2.176 6.966 745 HG3 MET 94 3HG MET 94 6.193 1.353 6.457 746 HE1 MET 94 3HE MET 94 5.937 -1.096 8.963 747 HE2 MET 94 1HE MET 94 5.356 -2.324 7.824 748 HE3 MET 94 2HE MET 94 6.658 -1.213 7.337 749 H ILE 95 H ILE 95 6.614 3.926 6.036 750 HA ILE 95 HA ILE 95 9.222 3.102 5.246 751 HB ILE 95 HB ILE 95 7.172 5.001 4.124 752 HG12 ILE 95 2HG1 ILE 95 8.481 2.458 3.013 753 HG13 ILE 95 3HG1 ILE 95 7.035 2.445 4.029 754 HG21 ILE 95 1HG2 ILE 95 8.510 5.410 2.130 755 HG22 ILE 95 2HG2 ILE 95 9.341 6.063 3.515 756 HG23 ILE 95 3HG2 ILE 95 9.888 4.522 2.817 757 HD11 ILE 95 3HD1 ILE 95 7.299 3.721 1.292 758 HD12 ILE 95 1HD1 ILE 95 6.306 2.341 1.756 759 HD13 ILE 95 2HD1 ILE 95 5.925 3.967 2.398 760 H LYS 96 H LYS 96 8.045 6.341 6.393 761 HA LYS 96 HA LYS 96 10.602 7.606 6.132 762 HB2 LYS 96 2HB LYS 96 8.229 8.129 7.973 763 HB3 LYS 96 3HB LYS 96 9.657 9.154 7.948 764 HG2 LYS 96 2HG LYS 96 9.288 9.792 5.637 765 HG3 LYS 96 3HG LYS 96 7.965 8.628 5.468 766 HD2 LYS 96 2HD LYS 96 6.704 9.834 7.261 767 HD3 LYS 96 3HD LYS 96 7.995 11.049 7.324 768 HE2 LYS 96 2HE LYS 96 7.565 11.652 4.960 769 HE3 LYS 96 3HE LYS 96 6.335 10.378 4.864 770 HZ1 LYS 96 3HZ LYS 96 5.179 11.614 6.716 771 HZ2 LYS 96 1HZ LYS 96 5.174 12.367 5.267 772 HZ3 LYS 96 2HZ LYS 96 6.204 12.886 6.403 773 H GLU 97 H GLU 97 9.265 5.602 8.745 774 HA GLU 97 HA GLU 97 11.303 6.169 10.677 775 HB2 GLU 97 2HB GLU 97 9.288 3.935 10.347 776 HB3 GLU 97 3HB GLU 97 10.391 4.014 11.708 777 HG2 GLU 97 2HG GLU 97 8.663 6.423 11.051 778 HG3 GLU 97 3HG GLU 97 7.993 5.022 11.870 779 H LEU 98 H LEU 98 10.852 3.617 8.246 780 HA LEU 98 HA LEU 98 13.176 2.059 9.038 781 HB2 LEU 98 2HB LEU 98 11.328 2.071 6.648 782 HB3 LEU 98 3HB LEU 98 12.537 0.791 6.927 783 HG LEU 98 HG LEU 98 10.334 1.528 8.882 784 HD11 LEU 98 1HD1 LEU 98 10.375 -0.605 6.724 785 HD12 LEU 98 2HD1 LEU 98 9.332 0.826 6.759 786 HD13 LEU 98 3HD1 LEU 98 9.100 -0.448 7.960 787 HD21 LEU 98 3HD2 LEU 98 11.534 -1.203 8.864 788 HD22 LEU 98 1HD2 LEU 98 10.732 -0.318 10.158 789 HD23 LEU 98 2HD2 LEU 98 12.366 0.128 9.714 790 H THR 99 H THR 99 12.640 4.674 6.890 791 HA THR 99 HA THR 99 15.263 4.218 5.439 792 HB THR 99 HB THR 99 14.563 6.244 4.121 793 HG1 THR 99 1HG THR 99 12.037 5.774 5.329 794 HG21 THR 99 3HG2 THR 99 12.699 5.046 2.910 795 HG22 THR 99 1HG2 THR 99 12.752 3.805 4.174 796 HG23 THR 99 2HG2 THR 99 14.169 4.101 3.139 797 H THR 100 H THR 100 14.203 5.718 8.322 798 HA THR 100 HA THR 100 16.587 7.509 8.337 799 HB THR 100 HB THR 100 14.233 8.544 8.463 800 HG1 THR 100 1HG THR 100 15.716 9.253 10.732 801 HG21 THR 100 3HG2 THR 100 14.351 7.761 11.408 802 HG22 THR 100 1HG2 THR 100 13.354 6.928 10.221 803 HG23 THR 100 2HG2 THR 100 13.069 8.642 10.541 804 H GLU 101 H GLU 101 17.110 7.940 10.810 805 HA GLU 101 HA GLU 101 17.175 5.508 12.425 806 HB2 GLU 101 2HB GLU 101 19.563 5.836 12.819 807 HB3 GLU 101 3HB GLU 101 19.216 5.393 11.157 808 HG2 GLU 101 2HG GLU 101 19.888 8.193 12.167 809 HG3 GLU 101 3HG GLU 101 20.968 7.082 11.331 810 H LYS 102 H LYS 102 17.493 5.982 14.676 811 HA LYS 102 HA LYS 102 16.171 8.360 15.463 812 HB2 LYS 102 2HB LYS 102 15.976 5.972 16.428 813 HB3 LYS 102 3HB LYS 102 17.573 6.208 17.143 814 HG2 LYS 102 2HG LYS 102 16.015 6.720 18.858 815 HG3 LYS 102 3HG LYS 102 16.635 8.272 18.273 816 HD2 LYS 102 2HD LYS 102 14.532 8.304 16.712 817 HD3 LYS 102 3HD LYS 102 13.924 6.980 17.695 818 HE2 LYS 102 2HE LYS 102 14.910 9.650 18.744 819 HE3 LYS 102 3HE LYS 102 13.216 9.334 18.315 820 HZ1 LYS 102 3HZ LYS 102 13.239 7.529 19.976 821 HZ2 LYS 102 1HZ LYS 102 13.492 8.986 20.675 822 HZ3 LYS 102 2HZ LYS 102 14.733 7.941 20.457 823 H LYS 103 H LYS 103 17.220 10.247 15.369 824 HA LYS 103 HA LYS 103 20.033 10.623 15.588 825 HB2 LYS 103 2HB LYS 103 17.745 12.586 16.010 826 HB3 LYS 103 3HB LYS 103 19.430 13.049 15.873 827 HG2 LYS 103 2HG LYS 103 17.893 11.618 13.654 828 HG3 LYS 103 3HG LYS 103 18.040 13.368 13.822 829 HD2 LYS 103 2HD LYS 103 20.534 13.152 13.702 830 HD3 LYS 103 3HD LYS 103 20.322 11.426 13.297 831 HE2 LYS 103 2HE LYS 103 19.022 11.995 11.311 832 HE3 LYS 103 3HE LYS 103 18.931 13.689 11.802 833 HZ1 LYS 103 3HZ LYS 103 21.410 13.728 11.541 834 HZ2 LYS 103 1HZ LYS 103 20.557 13.548 10.157 835 HZ3 LYS 103 2HZ LYS 103 21.285 12.233 10.840 836 H ALA 104 H ALA 104 17.508 11.311 17.924 837 HA ALA 104 HA ALA 104 19.558 11.336 20.118 838 HB1 ALA 104 1HB ALA 104 18.418 13.517 19.664 839 HB2 ALA 104 2HB ALA 104 16.861 12.745 20.030 840 HB3 ALA 104 3HB ALA 104 18.095 12.901 21.294 841 H ARG 105 H ARG 105 19.153 10.387 22.109 842 HA ARG 105 HA ARG 105 16.618 9.056 22.666 843 HB2 ARG 105 2HB ARG 105 17.471 6.858 22.984 844 HB3 ARG 105 3HB ARG 105 17.802 7.343 21.322 845 HG2 ARG 105 2HG ARG 105 20.190 7.716 21.916 846 HG3 ARG 105 3HG ARG 105 19.830 7.316 23.603 847 HD2 ARG 105 2HD ARG 105 20.686 5.305 22.723 848 HD3 ARG 105 3HD ARG 105 18.952 5.064 22.808 849 HE ARG 105 HE ARG 105 18.840 4.894 20.517 850 HH11 ARG 105 1HH1 ARG 105 22.045 6.197 21.389 851 HH12 ARG 105 2HH1 ARG 105 22.744 5.929 19.836 852 HH21 ARG 105 1HH2 ARG 105 19.781 4.513 18.446 853 HH22 ARG 105 2HH2 ARG 105 21.434 4.915 18.141 854 H ARG 106 H ARG 106 16.585 8.198 24.892 855 HA ARG 106 HA ARG 106 17.522 10.089 26.774 856 HB2 ARG 106 2HB ARG 106 16.592 8.521 28.424 857 HB3 ARG 106 3HB ARG 106 15.529 8.617 27.032 858 HG2 ARG 106 2HG ARG 106 16.445 6.461 26.182 859 HG3 ARG 106 3HG ARG 106 17.568 6.400 27.555 860 HD2 ARG 106 2HD ARG 106 15.619 6.391 29.119 861 HD3 ARG 106 3HD ARG 106 14.540 6.401 27.723 862 HE ARG 106 HE ARG 106 14.937 4.180 27.327 863 HH11 ARG 106 1HH1 ARG 106 17.402 5.303 29.649 864 HH12 ARG 106 2HH1 ARG 106 18.072 3.719 29.860 865 HH21 ARG 106 1HH2 ARG 106 15.701 2.188 27.691 866 HH22 ARG 106 2HH2 ARG 106 17.037 1.845 28.774 867 HA PRO 107 HA PRO 107 21.605 8.694 27.787 868 HB2 PRO 107 2HB PRO 107 21.955 9.206 30.430 869 HB3 PRO 107 3HB PRO 107 21.729 10.493 29.203 870 HG2 PRO 107 2HG PRO 107 19.627 9.296 31.015 871 HG3 PRO 107 3HG PRO 107 19.994 11.024 30.703 872 HD2 PRO 107 2HD PRO 107 18.000 9.714 29.389 873 HD3 PRO 107 3HD PRO 107 18.981 10.952 28.589 874 H THR 108 H THR 108 21.324 6.565 27.225 875 HA THR 108 HA THR 108 20.271 4.479 28.829 876 HB THR 108 HB THR 108 21.814 3.238 26.986 877 HG1 THR 108 1HG THR 108 22.094 4.487 25.197 878 HG21 THR 108 3HG2 THR 108 19.918 3.424 25.415 879 HG22 THR 108 1HG2 THR 108 19.285 4.813 26.327 880 HG23 THR 108 2HG2 THR 108 19.346 3.198 27.074 881 H ARG 109 H ARG 109 21.171 3.906 30.738 882 HA ARG 109 HA ARG 109 24.023 4.415 31.262 883 HB2 ARG 109 2HB ARG 109 23.609 3.646 33.481 884 HB3 ARG 109 3HB ARG 109 22.235 4.652 33.032 885 HG2 ARG 109 2HG ARG 109 20.883 2.627 32.596 886 HG3 ARG 109 3HG ARG 109 22.263 1.586 32.930 887 HD2 ARG 109 2HD ARG 109 22.320 2.533 35.269 888 HD3 ARG 109 3HD ARG 109 20.795 3.352 34.882 889 HE ARG 109 HE ARG 109 19.655 1.322 34.742 890 HH11 ARG 109 1HH1 ARG 109 23.060 0.649 35.619 891 HH12 ARG 109 2HH1 ARG 109 22.656 -0.895 36.298 892 HH21 ARG 109 1HH2 ARG 109 19.308 -0.796 35.207 893 HH22 ARG 109 2HH2 ARG 109 20.489 -1.735 36.091 894 H SER 110 H SER 110 22.441 1.976 29.553 895 HA SER 110 HA SER 110 24.638 0.076 29.837 896 HB2 SER 110 2HB SER 110 22.873 -0.424 31.573 897 HB3 SER 110 3HB SER 110 21.672 -0.535 30.291 898 HG SER 110 HG SER 110 22.523 -2.509 31.113 899 H GLY 111 H GLY 111 24.436 -1.517 28.038 900 HA2 GLY 111 2HA GLY 111 23.696 -2.291 25.942 901 HA3 GLY 111 3HA GLY 111 22.661 -0.861 25.764 902 HA PRO 112 HA PRO 112 27.148 0.719 25.006 903 HB2 PRO 112 2HB PRO 112 29.204 -1.039 24.632 904 HB3 PRO 112 3HB PRO 112 28.636 -0.533 26.253 905 HG2 PRO 112 2HG PRO 112 27.834 -3.031 24.709 906 HG3 PRO 112 3HG PRO 112 28.467 -2.941 26.384 907 HD2 PRO 112 2HD PRO 112 25.806 -3.032 25.917 908 HD3 PRO 112 3HD PRO 112 26.471 -1.959 27.188 909 H SER 113 H SER 113 28.297 1.147 23.105 910 HA SER 113 HA SER 113 27.028 0.275 20.632 911 HB2 SER 113 2HB SER 113 29.453 2.073 21.002 912 HB3 SER 113 3HB SER 113 28.285 2.069 19.664 913 HG SER 113 HG SER 113 27.905 3.797 21.106 914 H SER 114 H SER 114 28.840 0.010 18.737 915 HA SER 114 HA SER 114 30.999 -1.799 19.660 916 HB2 SER 114 2HB SER 114 28.708 -2.844 18.653 917 HB3 SER 114 3HB SER 114 29.563 -2.529 17.133 918 HG SER 114 HG SER 114 30.293 -4.106 19.362 919 H GLY 115 H GLY 115 31.933 0.396 19.532 920 HA2 GLY 115 2HA GLY 115 32.391 1.540 16.838 921 HA3 GLY 115 3HA GLY 115 32.913 2.206 18.401 922 H GLU 116 H GLU 116 34.242 0.231 19.638 923 HA GLU 116 HA GLU 116 36.393 -0.692 17.816 924 HB2 GLU 116 2HB GLU 116 37.070 1.295 19.117 925 HB3 GLU 116 3HB GLU 116 36.653 0.467 20.627 926 HG2 GLU 116 2HG GLU 116 38.359 -1.241 20.214 927 HG3 GLU 116 3HG GLU 116 38.654 -0.618 18.588 928 H ASN 117 H ASN 117 36.104 -2.886 17.735 929 HA ASN 117 HA ASN 117 35.753 -4.382 20.202 930 HB2 ASN 117 2HB ASN 117 33.393 -3.697 19.430 931 HB3 ASN 117 3HB ASN 117 33.656 -4.697 18.002 932 HD21 ASN 117 1HD2 ASN 117 33.911 -4.841 21.616 933 HD22 ASN 117 2HD2 ASN 117 33.277 -6.480 21.718 934 H LEU 118 H LEU 118 37.440 -5.778 19.892 935 HA LEU 118 HA LEU 118 38.246 -6.587 17.176 936 HB2 LEU 118 2HB LEU 118 39.989 -5.959 18.799 937 HB3 LEU 118 3HB LEU 118 39.383 -7.161 19.945 938 HG LEU 118 HG LEU 118 40.001 -8.992 18.393 939 HD11 LEU 118 1HD1 LEU 118 41.123 -6.756 16.635 940 HD12 LEU 118 2HD1 LEU 118 39.822 -7.892 16.206 941 HD13 LEU 118 3HD1 LEU 118 41.458 -8.491 16.427 942 HD21 LEU 118 3HD2 LEU 118 42.435 -8.780 18.644 943 HD22 LEU 118 1HD2 LEU 118 41.597 -8.212 20.095 944 HD23 LEU 118 2HD2 LEU 118 42.270 -7.033 18.945 945 H TYR 119 H TYR 119 37.434 -8.466 16.283 946 HA TYR 119 HA TYR 119 35.722 -10.139 17.928 947 HB2 TYR 119 2HB TYR 119 35.285 -9.391 15.497 948 HB3 TYR 119 3HB TYR 119 36.496 -10.587 15.019 949 HD1 TYR 119 1HD TYR 119 33.424 -10.178 17.145 950 HD2 TYR 119 2HD TYR 119 35.724 -12.852 14.649 951 HE1 TYR 119 1HE TYR 119 31.746 -11.909 17.475 952 HE2 TYR 119 2HE TYR 119 34.011 -14.595 14.929 953 HH TYR 119 HH TYR 119 30.988 -13.958 16.791 954 H PHE 120 H PHE 120 35.963 -12.442 18.143 955 HA PHE 120 HA PHE 120 38.751 -13.247 18.477 956 HB2 PHE 120 2HB PHE 120 36.150 -14.621 19.244 957 HB3 PHE 120 3HB PHE 120 37.755 -15.240 19.580 958 HD1 PHE 120 1HD PHE 120 39.234 -14.143 21.244 959 HD2 PHE 120 2HD PHE 120 35.221 -12.722 20.524 960 HE1 PHE 120 1HE PHE 120 39.316 -12.817 23.342 961 HE2 PHE 120 2HE PHE 120 35.314 -11.401 22.609 962 HZ PHE 120 HZ PHE 120 37.355 -11.442 24.027 963 H GLN 121 H GLN 121 39.683 -13.896 16.711 964 HA GLN 121 HA GLN 121 38.431 -15.031 14.364 965 HB2 GLN 121 2HB GLN 121 41.336 -14.891 15.285 966 HB3 GLN 121 3HB GLN 121 40.821 -15.470 13.699 967 HG2 GLN 121 2HG GLN 121 39.901 -13.299 13.103 968 HG3 GLN 121 3HG GLN 121 40.205 -12.662 14.723 969 HE21 GLN 121 1HE2 GLN 121 42.631 -12.848 15.456 970 HE22 GLN 121 2HE2 GLN 121 43.786 -12.406 14.196 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.875 8.891 -4.011 2 HA MET 1 HA MET 1 0.964 9.562 -5.436 3 HB2 MET 1 2HB MET 1 0.909 12.136 -3.845 4 HB3 MET 1 3HB MET 1 2.130 11.678 -5.014 5 HG2 MET 1 2HG MET 1 -0.765 12.331 -5.562 6 HG3 MET 1 3HG MET 1 0.675 13.157 -6.145 7 HE1 MET 1 3HE MET 1 2.460 11.883 -7.939 8 HE2 MET 1 1HE MET 1 2.448 10.356 -7.023 9 HE3 MET 1 2HE MET 1 2.041 10.365 -8.748 10 H ILE 2 H ILE 2 0.445 9.270 -1.956 11 HA ILE 2 HA ILE 2 1.914 8.913 -0.239 12 HB ILE 2 HB ILE 2 2.950 6.874 -2.242 13 HG12 ILE 2 2HG1 ILE 2 0.310 6.931 -0.733 14 HG13 ILE 2 3HG1 ILE 2 0.558 6.919 -2.485 15 HG21 ILE 2 1HG2 ILE 2 3.341 5.429 -0.414 16 HG22 ILE 2 2HG2 ILE 2 3.903 6.989 0.179 17 HG23 ILE 2 3HG2 ILE 2 2.314 6.371 0.674 18 HD11 ILE 2 3HD1 ILE 2 -0.223 4.767 -1.785 19 HD12 ILE 2 1HD1 ILE 2 1.464 4.598 -2.302 20 HD13 ILE 2 2HD1 ILE 2 1.048 4.622 -0.570 21 H VAL 3 H VAL 3 2.870 11.150 -1.313 22 HA VAL 3 HA VAL 3 5.574 10.937 -2.259 23 HB VAL 3 HB VAL 3 4.245 12.741 -3.012 24 HG11 VAL 3 1HG1 VAL 3 2.800 13.143 -1.063 25 HG12 VAL 3 2HG1 VAL 3 4.176 13.862 -0.197 26 HG13 VAL 3 3HG1 VAL 3 3.545 14.629 -1.672 27 HG21 VAL 3 3HG2 VAL 3 6.694 13.065 -2.859 28 HG22 VAL 3 1HG2 VAL 3 5.793 14.585 -2.752 29 HG23 VAL 3 2HG2 VAL 3 6.490 13.857 -1.286 30 H ILE 4 H ILE 4 6.987 10.004 -1.113 31 HA ILE 4 HA ILE 4 7.034 10.222 1.799 32 HB ILE 4 HB ILE 4 9.147 8.920 0.054 33 HG12 ILE 4 2HG1 ILE 4 7.042 7.824 -0.500 34 HG13 ILE 4 3HG1 ILE 4 8.088 6.777 0.408 35 HG21 ILE 4 1HG2 ILE 4 9.852 9.399 2.352 36 HG22 ILE 4 2HG2 ILE 4 8.405 8.616 2.994 37 HG23 ILE 4 3HG2 ILE 4 9.640 7.674 2.141 38 HD11 ILE 4 3HD1 ILE 4 5.631 8.234 1.450 39 HD12 ILE 4 1HD1 ILE 4 5.826 6.486 1.183 40 HD13 ILE 4 2HD1 ILE 4 6.716 7.265 2.484 41 H SER 5 H SER 5 9.185 11.131 -0.982 42 HA SER 5 HA SER 5 10.259 13.382 0.609 43 HB2 SER 5 2HB SER 5 12.481 12.762 0.278 44 HB3 SER 5 3HB SER 5 11.726 11.210 0.633 45 HG SER 5 HG SER 5 13.111 11.079 -1.139 46 H ARG 6 H ARG 6 11.798 14.659 -1.002 47 HA ARG 6 HA ARG 6 10.159 15.739 -3.060 48 HB2 ARG 6 2HB ARG 6 11.984 16.875 -1.755 49 HB3 ARG 6 3HB ARG 6 13.185 15.972 -2.696 50 HG2 ARG 6 2HG ARG 6 12.407 17.094 -4.771 51 HG3 ARG 6 3HG ARG 6 11.104 17.882 -3.849 52 HD2 ARG 6 2HD ARG 6 13.002 18.843 -2.385 53 HD3 ARG 6 3HD ARG 6 14.108 18.337 -3.673 54 HE ARG 6 HE ARG 6 12.259 19.699 -5.080 55 HH11 ARG 6 1HH1 ARG 6 14.227 20.588 -2.256 56 HH12 ARG 6 2HH1 ARG 6 13.922 22.289 -2.401 57 HH21 ARG 6 1HH2 ARG 6 11.728 21.956 -5.168 58 HH22 ARG 6 2HH2 ARG 6 12.557 23.082 -4.147 59 H HIS 7 H HIS 7 12.093 12.871 -3.077 60 HA HIS 7 HA HIS 7 12.013 12.756 -6.056 61 HB2 HIS 7 2HB HIS 7 14.153 11.579 -4.249 62 HB3 HIS 7 3HB HIS 7 14.150 11.644 -6.014 63 HD1 HIS 7 1HD HIS 7 14.481 14.198 -7.087 64 HD2 HIS 7 2HD HIS 7 15.063 13.704 -2.946 65 HE1 HIS 7 1HE HIS 7 15.518 16.365 -6.246 66 H VAL 8 H VAL 8 10.290 11.609 -3.557 67 HA VAL 8 HA VAL 8 9.980 8.950 -4.820 68 HB VAL 8 HB VAL 8 10.339 9.472 -1.829 69 HG11 VAL 8 1HG1 VAL 8 10.139 6.977 -1.688 70 HG12 VAL 8 2HG1 VAL 8 8.645 7.758 -2.201 71 HG13 VAL 8 3HG1 VAL 8 9.678 6.978 -3.413 72 HG21 VAL 8 3HG2 VAL 8 12.272 7.838 -2.126 73 HG22 VAL 8 1HG2 VAL 8 12.085 8.065 -3.879 74 HG23 VAL 8 2HG2 VAL 8 12.530 9.427 -2.833 75 H ALA 9 H ALA 9 7.866 8.608 -5.281 76 HA ALA 9 HA ALA 9 5.682 9.313 -3.531 77 HB1 ALA 9 1HB ALA 9 4.565 10.751 -5.278 78 HB2 ALA 9 2HB ALA 9 5.994 11.507 -4.567 79 HB3 ALA 9 3HB ALA 9 6.081 10.768 -6.185 80 H ILE 10 H ILE 10 4.483 7.456 -3.738 81 HA ILE 10 HA ILE 10 4.722 5.844 -6.203 82 HB ILE 10 HB ILE 10 3.005 5.216 -3.773 83 HG12 ILE 10 2HG1 ILE 10 5.890 4.333 -4.227 84 HG13 ILE 10 3HG1 ILE 10 5.361 5.507 -3.018 85 HG21 ILE 10 1HG2 ILE 10 4.167 3.480 -5.998 86 HG22 ILE 10 2HG2 ILE 10 3.180 2.885 -4.650 87 HG23 ILE 10 3HG2 ILE 10 2.473 3.960 -5.835 88 HD11 ILE 10 3HD1 ILE 10 4.679 2.561 -3.048 89 HD12 ILE 10 1HD1 ILE 10 5.659 3.446 -1.876 90 HD13 ILE 10 2HD1 ILE 10 3.904 3.734 -1.971 91 HA PRO 11 HA PRO 11 1.000 8.027 -7.559 92 HB2 PRO 11 2HB PRO 11 0.414 6.658 -9.860 93 HB3 PRO 11 3HB PRO 11 1.831 7.743 -9.708 94 HG2 PRO 11 2HG PRO 11 1.694 4.739 -9.402 95 HG3 PRO 11 3HG PRO 11 2.854 5.683 -10.393 96 HD2 PRO 11 2HD PRO 11 3.476 4.793 -7.898 97 HD3 PRO 11 3HD PRO 11 4.046 6.379 -8.466 98 H ASP 12 H ASP 12 0.939 5.326 -5.865 99 HA ASP 12 HA ASP 12 -0.594 4.054 -4.822 100 HB2 ASP 12 2HB ASP 12 -2.831 5.643 -6.119 101 HB3 ASP 12 3HB ASP 12 -2.921 4.623 -4.709 102 H GLY 13 H GLY 13 0.252 3.653 -7.885 103 HA2 GLY 13 2HA GLY 13 -1.992 1.871 -8.672 104 HA3 GLY 13 3HA GLY 13 -0.719 2.497 -9.733 105 H GLU 14 H GLU 14 1.301 1.796 -7.544 106 HA GLU 14 HA GLU 14 1.707 -0.998 -8.382 107 HB2 GLU 14 2HB GLU 14 3.401 0.962 -6.770 108 HB3 GLU 14 3HB GLU 14 3.886 -0.709 -7.083 109 HG2 GLU 14 2HG GLU 14 4.892 0.123 -8.858 110 HG3 GLU 14 3HG GLU 14 3.304 -0.057 -9.604 111 H LEU 15 H LEU 15 -0.259 0.054 -5.994 112 HA LEU 15 HA LEU 15 0.780 -1.894 -3.976 113 HB2 LEU 15 2HB LEU 15 -1.573 -0.097 -3.490 114 HB3 LEU 15 3HB LEU 15 -0.476 -0.903 -2.368 115 HG LEU 15 HG LEU 15 -0.074 1.681 -3.898 116 HD11 LEU 15 1HD1 LEU 15 0.253 0.815 -0.992 117 HD12 LEU 15 2HD1 LEU 15 -1.139 1.730 -1.645 118 HD13 LEU 15 3HD1 LEU 15 0.488 2.448 -1.595 119 HD21 LEU 15 3HD2 LEU 15 2.101 0.561 -4.162 120 HD22 LEU 15 1HD2 LEU 15 2.024 0.060 -2.460 121 HD23 LEU 15 2HD2 LEU 15 2.231 1.767 -2.880 122 H GLU 16 H GLU 16 -0.654 -3.511 -3.142 123 HA GLU 16 HA GLU 16 -2.898 -4.236 -4.986 124 HB2 GLU 16 2HB GLU 16 -0.811 -5.673 -5.059 125 HB3 GLU 16 3HB GLU 16 -1.107 -6.114 -3.384 126 HG2 GLU 16 2HG GLU 16 -2.045 -7.833 -4.844 127 HG3 GLU 16 3HG GLU 16 -3.370 -6.972 -4.041 128 H ILE 17 H ILE 17 -4.661 -3.514 -3.925 129 HA ILE 17 HA ILE 17 -4.929 -3.714 -0.983 130 HB ILE 17 HB ILE 17 -6.434 -2.206 -3.151 131 HG12 ILE 17 2HG1 ILE 17 -6.002 -0.403 -1.194 132 HG13 ILE 17 3HG1 ILE 17 -4.725 -1.501 -0.750 133 HG21 ILE 17 1HG2 ILE 17 -8.212 -3.068 -1.676 134 HG22 ILE 17 2HG2 ILE 17 -7.340 -2.430 -0.265 135 HG23 ILE 17 3HG2 ILE 17 -8.009 -1.340 -1.504 136 HD11 ILE 17 3HD1 ILE 17 -3.832 -1.278 -3.131 137 HD12 ILE 17 1HD1 ILE 17 -5.127 -0.108 -3.437 138 HD13 ILE 17 2HD1 ILE 17 -3.876 0.243 -2.225 139 H THR 18 H THR 18 -6.542 -4.911 0.017 140 HA THR 18 HA THR 18 -8.303 -6.601 -1.667 141 HB THR 18 HB THR 18 -7.326 -8.364 0.343 142 HG1 THR 18 1HG THR 18 -5.450 -6.767 -0.096 143 HG21 THR 18 3HG2 THR 18 -6.826 -8.349 -2.658 144 HG22 THR 18 1HG2 THR 18 -8.275 -8.981 -1.838 145 HG23 THR 18 2HG2 THR 18 -6.698 -9.754 -1.566 146 H ALA 19 H ALA 19 -10.217 -7.079 -0.786 147 HA ALA 19 HA ALA 19 -10.900 -5.856 1.791 148 HB1 ALA 19 1HB ALA 19 -12.459 -5.556 -0.071 149 HB2 ALA 19 2HB ALA 19 -12.551 -7.319 -0.319 150 HB3 ALA 19 3HB ALA 19 -13.180 -6.601 1.169 151 H ILE 20 H ILE 20 -10.347 -6.827 3.452 152 HA ILE 20 HA ILE 20 -10.456 -9.789 3.668 153 HB ILE 20 HB ILE 20 -9.237 -9.251 5.875 154 HG12 ILE 20 2HG1 ILE 20 -8.515 -6.660 4.517 155 HG13 ILE 20 3HG1 ILE 20 -9.724 -6.809 5.785 156 HG21 ILE 20 1HG2 ILE 20 -8.287 -10.263 3.789 157 HG22 ILE 20 2HG2 ILE 20 -7.893 -8.632 3.216 158 HG23 ILE 20 3HG2 ILE 20 -7.104 -9.309 4.674 159 HD11 ILE 20 3HD1 ILE 20 -6.769 -7.486 6.065 160 HD12 ILE 20 1HD1 ILE 20 -7.621 -6.113 6.785 161 HD13 ILE 20 2HD1 ILE 20 -8.000 -7.758 7.323 162 H ARG 21 H ARG 21 -11.246 -10.788 5.599 163 HA ARG 21 HA ARG 21 -13.249 -9.308 7.129 164 HB2 ARG 21 2HB ARG 21 -13.769 -11.607 5.229 165 HB3 ARG 21 3HB ARG 21 -14.716 -11.489 6.713 166 HG2 ARG 21 2HG ARG 21 -15.432 -9.220 6.159 167 HG3 ARG 21 3HG ARG 21 -14.468 -9.243 4.670 168 HD2 ARG 21 2HD ARG 21 -15.824 -11.056 3.777 169 HD3 ARG 21 3HD ARG 21 -16.733 -11.166 5.300 170 HE ARG 21 HE ARG 21 -16.777 -8.500 4.161 171 HH11 ARG 21 1HH1 ARG 21 -18.198 -11.680 3.708 172 HH12 ARG 21 2HH1 ARG 21 -19.744 -11.149 3.196 173 HH21 ARG 21 1HH2 ARG 21 -18.673 -7.683 3.428 174 HH22 ARG 21 2HH2 ARG 21 -19.972 -8.698 2.836 175 H ALA 22 H ALA 22 -14.142 -10.643 8.888 176 HA ALA 22 HA ALA 22 -12.146 -12.445 10.116 177 HB1 ALA 22 1HB ALA 22 -12.767 -11.452 12.290 178 HB2 ALA 22 2HB ALA 22 -12.080 -10.211 11.226 179 HB3 ALA 22 3HB ALA 22 -13.842 -10.297 11.481 180 H GLN 23 H GLN 23 -13.317 -14.003 11.629 181 HA GLN 23 HA GLN 23 -16.185 -14.363 10.971 182 HB2 GLN 23 2HB GLN 23 -14.050 -16.523 10.796 183 HB3 GLN 23 3HB GLN 23 -15.775 -16.779 10.573 184 HG2 GLN 23 2HG GLN 23 -13.870 -15.282 8.747 185 HG3 GLN 23 3HG GLN 23 -14.647 -16.830 8.437 186 HE21 GLN 23 1HE2 GLN 23 -14.710 -14.278 6.901 187 HE22 GLN 23 2HE2 GLN 23 -16.354 -13.661 6.946 188 H GLY 24 H GLY 24 -17.304 -15.654 12.502 189 HA2 GLY 24 2HA GLY 24 -16.891 -17.169 14.544 190 HA3 GLY 24 3HA GLY 24 -16.088 -15.729 15.205 191 H ALA 25 H ALA 25 -18.203 -16.677 16.586 192 HA ALA 25 HA ALA 25 -20.704 -15.367 15.787 193 HB1 ALA 25 1HB ALA 25 -19.915 -16.799 18.374 194 HB2 ALA 25 2HB ALA 25 -21.559 -16.332 17.886 195 HB3 ALA 25 3HB ALA 25 -20.686 -17.572 16.967 196 H GLY 26 H GLY 26 -21.768 -13.817 17.303 197 HA2 GLY 26 2HA GLY 26 -19.828 -12.016 18.701 198 HA3 GLY 26 3HA GLY 26 -21.181 -11.451 17.714 199 H GLY 27 H GLY 27 -20.229 -12.571 20.894 200 HA2 GLY 27 2HA GLY 27 -22.957 -13.138 21.814 201 HA3 GLY 27 3HA GLY 27 -21.445 -13.172 22.735 202 H GLN 28 H GLN 28 -20.938 -11.492 24.007 203 HA GLN 28 HA GLN 28 -22.396 -8.917 23.713 204 HB2 GLN 28 2HB GLN 28 -23.325 -10.333 25.521 205 HB3 GLN 28 3HB GLN 28 -21.728 -10.437 26.276 206 HG2 GLN 28 2HG GLN 28 -21.739 -8.081 26.798 207 HG3 GLN 28 3HG GLN 28 -23.142 -7.799 25.749 208 HE21 GLN 28 1HE2 GLN 28 -25.126 -7.770 26.744 209 HE22 GLN 28 2HE2 GLN 28 -25.489 -8.479 28.310 210 H HIS 29 H HIS 29 -21.126 -7.077 24.475 211 HA HIS 29 HA HIS 29 -19.345 -5.788 24.553 212 HB2 HIS 29 2HB HIS 29 -18.045 -8.152 25.920 213 HB3 HIS 29 3HB HIS 29 -17.252 -6.613 25.702 214 HD1 HIS 29 1HD HIS 29 -18.916 -8.190 28.401 215 HD2 HIS 29 2HD HIS 29 -19.169 -4.418 26.525 216 HE1 HIS 29 1HE HIS 29 -19.908 -6.596 30.107 217 H VAL 30 H VAL 30 -19.499 -8.152 22.308 218 HA VAL 30 HA VAL 30 -16.896 -7.943 21.102 219 HB VAL 30 HB VAL 30 -18.024 -8.999 19.165 220 HG11 VAL 30 1HG1 VAL 30 -18.935 -10.325 21.758 221 HG12 VAL 30 2HG1 VAL 30 -18.553 -11.093 20.203 222 HG13 VAL 30 3HG1 VAL 30 -17.269 -10.346 21.149 223 HG21 VAL 30 3HG2 VAL 30 -20.637 -8.793 20.740 224 HG22 VAL 30 1HG2 VAL 30 -20.203 -7.781 19.347 225 HG23 VAL 30 2HG2 VAL 30 -20.383 -9.521 19.140 226 H ASN 31 H ASN 31 -16.835 -7.037 18.663 227 HA ASN 31 HA ASN 31 -18.521 -4.690 18.291 228 HB2 ASN 31 2HB ASN 31 -16.864 -3.040 18.382 229 HB3 ASN 31 3HB ASN 31 -16.624 -3.989 19.838 230 HD21 ASN 31 1HD2 ASN 31 -14.916 -6.004 19.327 231 HD22 ASN 31 2HD2 ASN 31 -13.511 -5.499 18.462 232 H LYS 32 H LYS 32 -18.173 -3.628 16.226 233 HA LYS 32 HA LYS 32 -17.827 -5.547 14.096 234 HB2 LYS 32 2HB LYS 32 -18.315 -2.544 14.185 235 HB3 LYS 32 3HB LYS 32 -17.799 -3.295 12.694 236 HG2 LYS 32 2HG LYS 32 -20.152 -3.115 12.599 237 HG3 LYS 32 3HG LYS 32 -19.730 -4.818 12.708 238 HD2 LYS 32 2HD LYS 32 -21.697 -4.351 14.009 239 HD3 LYS 32 3HD LYS 32 -20.390 -4.841 15.094 240 HE2 LYS 32 2HE LYS 32 -19.965 -2.460 15.638 241 HE3 LYS 32 3HE LYS 32 -21.256 -1.952 14.543 242 HZ1 LYS 32 3HZ LYS 32 -21.717 -3.756 16.832 243 HZ2 LYS 32 1HZ LYS 32 -22.854 -2.923 15.980 244 HZ3 LYS 32 2HZ LYS 32 -21.791 -2.146 16.986 245 H THR 33 H THR 33 -16.136 -5.931 12.777 246 HA THR 33 HA THR 33 -13.850 -4.203 12.518 247 HB THR 33 HB THR 33 -13.705 -5.596 14.813 248 HG1 THR 33 1HG THR 33 -11.355 -5.382 13.278 249 HG21 THR 33 3HG2 THR 33 -13.817 -7.832 13.733 250 HG22 THR 33 1HG2 THR 33 -12.357 -7.568 14.692 251 HG23 THR 33 2HG2 THR 33 -12.263 -7.496 12.929 252 H SER 34 H SER 34 -15.766 -6.958 11.478 253 HA SER 34 HA SER 34 -13.910 -8.222 9.823 254 HB2 SER 34 2HB SER 34 -16.866 -7.943 9.305 255 HB3 SER 34 3HB SER 34 -15.813 -9.294 8.860 256 HG SER 34 HG SER 34 -17.021 -9.795 10.761 257 H THR 35 H THR 35 -15.411 -5.031 9.257 258 HA THR 35 HA THR 35 -14.880 -5.401 6.345 259 HB THR 35 HB THR 35 -15.932 -2.864 7.578 260 HG1 THR 35 1HG THR 35 -17.985 -3.630 7.027 261 HG21 THR 35 3HG2 THR 35 -16.185 -4.197 4.850 262 HG22 THR 35 1HG2 THR 35 -15.078 -2.878 5.280 263 HG23 THR 35 2HG2 THR 35 -16.836 -2.611 5.284 264 H ALA 36 H ALA 36 -12.624 -5.684 6.504 265 HA ALA 36 HA ALA 36 -11.125 -3.210 7.319 266 HB1 ALA 36 1HB ALA 36 -10.858 -5.023 8.974 267 HB2 ALA 36 2HB ALA 36 -10.387 -6.165 7.709 268 HB3 ALA 36 3HB ALA 36 -9.344 -4.767 8.075 269 H ILE 37 H ILE 37 -8.784 -3.429 6.347 270 HA ILE 37 HA ILE 37 -8.930 -4.500 3.570 271 HB ILE 37 HB ILE 37 -8.300 -1.634 4.336 272 HG12 ILE 37 2HG1 ILE 37 -10.678 -2.158 3.675 273 HG13 ILE 37 3HG1 ILE 37 -9.860 -1.016 2.621 274 HG21 ILE 37 1HG2 ILE 37 -6.450 -2.105 2.935 275 HG22 ILE 37 2HG2 ILE 37 -7.420 -3.147 1.859 276 HG23 ILE 37 3HG2 ILE 37 -7.648 -1.413 1.838 277 HD11 ILE 37 3HD1 ILE 37 -9.546 -2.748 0.909 278 HD12 ILE 37 1HD1 ILE 37 -10.271 -3.942 2.003 279 HD13 ILE 37 2HD1 ILE 37 -11.238 -2.605 1.385 280 H HIS 38 H HIS 38 -7.105 -5.169 2.711 281 HA HIS 38 HA HIS 38 -4.711 -5.390 4.454 282 HB2 HIS 38 2HB HIS 38 -5.914 -7.504 3.909 283 HB3 HIS 38 3HB HIS 38 -5.699 -7.197 2.195 284 HD1 HIS 38 1HD HIS 38 -2.926 -7.361 1.358 285 HD2 HIS 38 2HD HIS 38 -3.977 -8.306 5.320 286 HE1 HIS 38 1HE HIS 38 -0.939 -8.570 2.367 287 H LEU 39 H LEU 39 -3.255 -4.011 3.781 288 HA LEU 39 HA LEU 39 -3.141 -3.081 0.949 289 HB2 LEU 39 2HB LEU 39 -3.345 -1.254 2.455 290 HB3 LEU 39 3HB LEU 39 -2.156 -1.905 3.578 291 HG LEU 39 HG LEU 39 -1.064 -1.427 0.846 292 HD11 LEU 39 1HD1 LEU 39 -2.619 0.479 0.931 293 HD12 LEU 39 2HD1 LEU 39 -0.932 1.001 1.034 294 HD13 LEU 39 3HD1 LEU 39 -1.928 0.974 2.494 295 HD21 LEU 39 3HD2 LEU 39 0.268 -1.971 2.952 296 HD22 LEU 39 1HD2 LEU 39 -0.085 -0.295 3.458 297 HD23 LEU 39 2HD2 LEU 39 0.826 -0.609 1.987 298 H ARG 40 H ARG 40 -1.327 -3.651 -0.249 299 HA ARG 40 HA ARG 40 0.952 -4.959 1.133 300 HB2 ARG 40 2HB ARG 40 -0.533 -6.771 0.475 301 HB3 ARG 40 3HB ARG 40 -0.666 -6.112 -1.168 302 HG2 ARG 40 2HG ARG 40 1.632 -6.647 -1.669 303 HG3 ARG 40 3HG ARG 40 1.897 -7.151 0.017 304 HD2 ARG 40 2HD ARG 40 0.245 -8.928 -0.194 305 HD3 ARG 40 3HD ARG 40 -0.119 -8.453 -1.867 306 HE ARG 40 HE ARG 40 2.043 -10.074 -0.871 307 HH11 ARG 40 1HH1 ARG 40 1.019 -8.170 -3.761 308 HH12 ARG 40 2HH1 ARG 40 2.233 -8.929 -4.745 309 HH21 ARG 40 1HH2 ARG 40 3.676 -10.899 -2.242 310 HH22 ARG 40 2HH2 ARG 40 3.687 -10.386 -3.919 311 H PHE 41 H PHE 41 2.686 -3.885 0.535 312 HA PHE 41 HA PHE 41 2.838 -2.755 -2.221 313 HB2 PHE 41 2HB PHE 41 2.571 -0.954 -0.597 314 HB3 PHE 41 3HB PHE 41 3.776 -1.667 0.455 315 HD1 PHE 41 2HD PHE 41 3.720 -0.980 -3.267 316 HD2 PHE 41 1HD PHE 41 5.765 -0.470 0.499 317 HE1 PHE 41 2HE PHE 41 5.568 0.142 -4.432 318 HE2 PHE 41 1HE PHE 41 7.629 0.641 -0.668 319 HZ PHE 41 HZ PHE 41 7.515 0.974 -3.152 320 H ASP 42 H ASP 42 4.403 -3.817 -3.411 321 HA ASP 42 HA ASP 42 6.524 -5.290 -1.979 322 HB2 ASP 42 2HB ASP 42 5.168 -6.463 -3.628 323 HB3 ASP 42 3HB ASP 42 5.650 -5.315 -4.868 324 H ILE 43 H ILE 43 8.339 -4.312 -1.657 325 HA ILE 43 HA ILE 43 9.168 -1.800 -2.729 326 HB ILE 43 HB ILE 43 10.697 -4.002 -1.281 327 HG12 ILE 43 2HG1 ILE 43 10.011 -1.471 0.143 328 HG13 ILE 43 3HG1 ILE 43 8.640 -2.492 -0.209 329 HG21 ILE 43 1HG2 ILE 43 12.370 -2.235 -0.697 330 HG22 ILE 43 2HG2 ILE 43 12.318 -2.571 -2.423 331 HG23 ILE 43 3HG2 ILE 43 11.533 -1.111 -1.796 332 HD11 ILE 43 3HD1 ILE 43 11.135 -3.540 1.184 333 HD12 ILE 43 1HD1 ILE 43 9.676 -2.965 2.016 334 HD13 ILE 43 2HD1 ILE 43 9.571 -4.363 0.967 335 H ARG 44 H ARG 44 10.116 -5.212 -3.484 336 HA ARG 44 HA ARG 44 12.234 -4.472 -5.321 337 HB2 ARG 44 2HB ARG 44 10.582 -7.015 -4.912 338 HB3 ARG 44 3HB ARG 44 11.819 -6.894 -6.138 339 HG2 ARG 44 2HG ARG 44 12.315 -6.453 -3.151 340 HG3 ARG 44 3HG ARG 44 12.567 -7.976 -3.995 341 HD2 ARG 44 2HD ARG 44 13.996 -5.371 -4.585 342 HD3 ARG 44 3HD ARG 44 14.678 -6.766 -3.727 343 HE ARG 44 HE ARG 44 13.855 -7.849 -6.103 344 HH11 ARG 44 1HH1 ARG 44 16.246 -5.290 -5.329 345 HH12 ARG 44 2HH1 ARG 44 16.792 -5.229 -6.980 346 HH21 ARG 44 1HH2 ARG 44 14.693 -7.734 -8.209 347 HH22 ARG 44 2HH2 ARG 44 15.870 -6.530 -8.620 348 H ALA 45 H ALA 45 8.799 -4.877 -5.606 349 HA ALA 45 HA ALA 45 8.915 -4.648 -8.567 350 HB1 ALA 45 1HB ALA 45 7.384 -6.270 -7.404 351 HB2 ALA 45 2HB ALA 45 6.460 -4.861 -6.810 352 HB3 ALA 45 3HB ALA 45 6.579 -5.173 -8.544 353 H SER 46 H SER 46 9.328 -2.380 -6.303 354 HA SER 46 HA SER 46 7.419 -0.439 -7.436 355 HB2 SER 46 2HB SER 46 7.859 0.885 -5.496 356 HB3 SER 46 3HB SER 46 7.614 -0.777 -4.961 357 HG SER 46 HG SER 46 9.896 -0.977 -4.849 358 H SER 47 H SER 47 8.188 1.741 -7.976 359 HA SER 47 HA SER 47 10.847 1.714 -9.237 360 HB2 SER 47 2HB SER 47 8.890 2.576 -10.520 361 HB3 SER 47 3HB SER 47 8.747 3.908 -9.348 362 HG SER 47 HG SER 47 11.118 4.109 -9.863 363 H LEU 48 H LEU 48 10.184 1.931 -6.164 364 HA LEU 48 HA LEU 48 11.041 4.552 -5.327 365 HB2 LEU 48 2HB LEU 48 11.352 1.872 -3.919 366 HB3 LEU 48 3HB LEU 48 11.702 3.411 -3.164 367 HG LEU 48 HG LEU 48 9.084 2.376 -4.214 368 HD11 LEU 48 1HD1 LEU 48 10.341 2.582 -1.438 369 HD12 LEU 48 2HD1 LEU 48 9.692 1.147 -2.240 370 HD13 LEU 48 3HD1 LEU 48 8.598 2.418 -1.643 371 HD21 LEU 48 3HD2 LEU 48 9.161 4.872 -4.265 372 HD22 LEU 48 1HD2 LEU 48 9.805 4.872 -2.605 373 HD23 LEU 48 2HD2 LEU 48 8.122 4.367 -2.925 374 HA PRO 49 HA PRO 49 15.288 4.376 -6.359 375 HB2 PRO 49 2HB PRO 49 16.530 5.604 -4.180 376 HB3 PRO 49 3HB PRO 49 15.643 6.428 -5.495 377 HG2 PRO 49 2HG PRO 49 14.650 5.682 -2.788 378 HG3 PRO 49 3HG PRO 49 14.441 7.238 -3.650 379 HD2 PRO 49 2HD PRO 49 12.493 5.371 -3.587 380 HD3 PRO 49 3HD PRO 49 12.782 6.278 -5.088 381 H GLU 50 H GLU 50 17.342 3.604 -5.846 382 HA GLU 50 HA GLU 50 17.526 0.948 -4.969 383 HB2 GLU 50 2HB GLU 50 19.866 1.194 -5.404 384 HB3 GLU 50 3HB GLU 50 18.947 2.018 -6.653 385 HG2 GLU 50 2HG GLU 50 20.461 3.271 -4.344 386 HG3 GLU 50 3HG GLU 50 20.873 3.334 -6.065 387 H TYR 51 H TYR 51 18.319 4.026 -3.302 388 HA TYR 51 HA TYR 51 19.466 2.952 -0.954 389 HB2 TYR 51 2HB TYR 51 19.519 5.331 -1.631 390 HB3 TYR 51 3HB TYR 51 17.779 5.446 -1.413 391 HD1 TYR 51 1HD TYR 51 21.042 5.154 0.310 392 HD2 TYR 51 2HD TYR 51 16.805 5.744 0.839 393 HE1 TYR 51 1HE TYR 51 21.425 5.791 2.649 394 HE2 TYR 51 2HE TYR 51 17.187 6.425 3.177 395 HH TYR 51 HH TYR 51 20.447 6.669 4.628 396 H TYR 52 H TYR 52 16.058 3.714 -1.794 397 HA TYR 52 HA TYR 52 14.997 2.840 0.717 398 HB2 TYR 52 2HB TYR 52 13.754 3.347 -1.994 399 HB3 TYR 52 3HB TYR 52 12.833 2.544 -0.766 400 HD1 TYR 52 2HD TYR 52 15.164 5.526 -0.585 401 HD2 TYR 52 1HD TYR 52 11.177 3.984 -0.046 402 HE1 TYR 52 2HE TYR 52 14.396 7.757 0.150 403 HE2 TYR 52 1HE TYR 52 10.404 6.209 0.634 404 HH TYR 52 HH TYR 52 12.388 8.829 1.456 405 H LYS 53 H LYS 53 16.096 1.005 -2.134 406 HA LYS 53 HA LYS 53 14.449 -1.329 -1.610 407 HB2 LYS 53 2HB LYS 53 17.256 -1.269 -2.861 408 HB3 LYS 53 3HB LYS 53 16.139 -2.597 -2.913 409 HG2 LYS 53 2HG LYS 53 15.463 0.053 -4.134 410 HG3 LYS 53 3HG LYS 53 16.459 -1.094 -4.980 411 HD2 LYS 53 2HD LYS 53 14.722 -2.385 -5.613 412 HD3 LYS 53 3HD LYS 53 13.997 -2.361 -4.008 413 HE2 LYS 53 2HE LYS 53 13.606 -0.221 -6.191 414 HE3 LYS 53 3HE LYS 53 12.447 -1.344 -5.551 415 HZ1 LYS 53 3HZ LYS 53 13.837 0.787 -4.090 416 HZ2 LYS 53 1HZ LYS 53 12.607 -0.177 -3.470 417 HZ3 LYS 53 2HZ LYS 53 12.357 0.874 -4.743 418 H GLU 54 H GLU 54 17.924 -0.700 -0.961 419 HA GLU 54 HA GLU 54 18.288 -2.791 0.843 420 HB2 GLU 54 2HB GLU 54 19.602 -0.062 1.047 421 HB3 GLU 54 3HB GLU 54 20.235 -1.612 1.615 422 HG2 GLU 54 2HG GLU 54 20.146 -2.336 -0.866 423 HG3 GLU 54 3HG GLU 54 19.931 -0.627 -1.237 424 H ARG 55 H ARG 55 17.083 0.505 1.517 425 HA ARG 55 HA ARG 55 17.242 0.233 4.380 426 HB2 ARG 55 2HB ARG 55 15.923 2.133 2.472 427 HB3 ARG 55 3HB ARG 55 15.290 2.089 4.102 428 HG2 ARG 55 2HG ARG 55 17.050 3.828 3.675 429 HG3 ARG 55 3HG ARG 55 17.289 2.808 5.080 430 HD2 ARG 55 2HD ARG 55 18.652 1.667 2.746 431 HD3 ARG 55 3HD ARG 55 19.117 3.347 2.971 432 HE ARG 55 HE ARG 55 19.235 2.281 5.521 433 HH11 ARG 55 1HH1 ARG 55 20.914 1.324 2.517 434 HH12 ARG 55 2HH1 ARG 55 21.791 0.045 3.297 435 HH21 ARG 55 1HH2 ARG 55 20.439 0.790 6.513 436 HH22 ARG 55 2HH2 ARG 55 21.458 -0.331 5.678 437 H LEU 56 H LEU 56 14.439 -0.205 2.172 438 HA LEU 56 HA LEU 56 12.783 -1.008 4.435 439 HB2 LEU 56 2HB LEU 56 12.299 -1.261 1.468 440 HB3 LEU 56 3HB LEU 56 11.073 -1.358 2.741 441 HG LEU 56 HG LEU 56 12.697 1.157 2.089 442 HD11 LEU 56 1HD1 LEU 56 9.813 0.503 1.438 443 HD12 LEU 56 2HD1 LEU 56 11.172 0.621 0.287 444 HD13 LEU 56 3HD1 LEU 56 10.635 2.057 1.172 445 HD21 LEU 56 3HD2 LEU 56 12.111 1.185 4.385 446 HD22 LEU 56 1HD2 LEU 56 10.414 0.756 4.024 447 HD23 LEU 56 2HD2 LEU 56 11.099 2.324 3.497 448 H LEU 57 H LEU 57 15.031 -2.716 2.315 449 HA LEU 57 HA LEU 57 13.767 -5.329 2.846 450 HB2 LEU 57 2HB LEU 57 16.298 -4.448 1.412 451 HB3 LEU 57 3HB LEU 57 15.943 -6.138 1.728 452 HG LEU 57 HG LEU 57 13.904 -4.406 0.281 453 HD11 LEU 57 1HD1 LEU 57 16.176 -6.015 -0.940 454 HD12 LEU 57 2HD1 LEU 57 16.060 -4.260 -0.943 455 HD13 LEU 57 3HD1 LEU 57 14.865 -5.211 -1.841 456 HD21 LEU 57 3HD2 LEU 57 14.436 -7.403 0.256 457 HD22 LEU 57 1HD2 LEU 57 13.194 -6.559 -0.668 458 HD23 LEU 57 2HD2 LEU 57 13.123 -6.600 1.114 459 H ALA 58 H ALA 58 16.599 -3.352 3.996 460 HA ALA 58 HA ALA 58 17.375 -5.523 5.829 461 HB1 ALA 58 1HB ALA 58 18.587 -2.753 5.477 462 HB2 ALA 58 2HB ALA 58 19.288 -4.148 6.312 463 HB3 ALA 58 3HB ALA 58 19.085 -4.195 4.553 464 H ALA 59 H ALA 59 14.909 -3.401 5.882 465 HA ALA 59 HA ALA 59 15.112 -1.981 8.352 466 HB1 ALA 59 1HB ALA 59 13.425 -1.241 6.860 467 HB2 ALA 59 2HB ALA 59 12.899 -2.887 6.479 468 HB3 ALA 59 3HB ALA 59 12.470 -2.183 8.024 469 H SER 60 H SER 60 13.426 -2.496 10.186 470 HA SER 60 HA SER 60 13.191 -5.395 10.652 471 HB2 SER 60 2HB SER 60 15.301 -4.538 11.778 472 HB3 SER 60 3HB SER 60 14.243 -3.587 12.847 473 HG SER 60 HG SER 60 14.807 -5.794 13.560 474 H HIS 61 H HIS 61 11.085 -5.220 10.165 475 HA HIS 61 HA HIS 61 9.380 -3.918 12.171 476 HB2 HIS 61 2HB HIS 61 9.580 -2.679 9.742 477 HB3 HIS 61 3HB HIS 61 8.397 -3.876 9.351 478 HD1 HIS 61 1HD HIS 61 6.479 -3.897 11.878 479 HD2 HIS 61 2HD HIS 61 8.351 -0.479 10.252 480 HE1 HIS 61 1HE HIS 61 5.028 -1.956 12.487 481 H HIS 62 H HIS 62 8.217 -5.573 12.994 482 HA HIS 62 HA HIS 62 8.126 -8.187 11.995 483 HB2 HIS 62 2HB HIS 62 6.284 -8.489 13.638 484 HB3 HIS 62 3HB HIS 62 7.654 -7.604 14.309 485 HD1 HIS 62 1HD HIS 62 7.220 -4.898 14.734 486 HD2 HIS 62 2HD HIS 62 3.950 -7.218 13.380 487 HE1 HIS 62 1HE HIS 62 5.131 -3.417 14.897 488 H LEU 63 H LEU 63 6.637 -5.625 10.481 489 HA LEU 63 HA LEU 63 4.287 -7.126 9.475 490 HB2 LEU 63 2HB LEU 63 5.040 -4.187 9.288 491 HB3 LEU 63 3HB LEU 63 3.620 -4.906 8.539 492 HG LEU 63 HG LEU 63 4.193 -4.754 11.511 493 HD11 LEU 63 1HD1 LEU 63 3.601 -2.596 10.429 494 HD12 LEU 63 2HD1 LEU 63 2.398 -3.132 11.609 495 HD13 LEU 63 3HD1 LEU 63 2.080 -3.315 9.862 496 HD21 LEU 63 3HD2 LEU 63 2.864 -6.779 11.079 497 HD22 LEU 63 1HD2 LEU 63 1.733 -5.846 10.062 498 HD23 LEU 63 2HD2 LEU 63 1.850 -5.548 11.810 499 H ILE 64 H ILE 64 7.552 -6.163 8.498 500 HA ILE 64 HA ILE 64 6.826 -6.350 5.649 501 HB ILE 64 HB ILE 64 9.424 -5.600 7.045 502 HG12 ILE 64 2HG1 ILE 64 7.330 -3.879 5.656 503 HG13 ILE 64 3HG1 ILE 64 7.568 -3.952 7.375 504 HG21 ILE 64 1HG2 ILE 64 9.907 -6.522 4.826 505 HG22 ILE 64 2HG2 ILE 64 8.660 -5.498 4.077 506 HG23 ILE 64 3HG2 ILE 64 10.145 -4.807 4.773 507 HD11 ILE 64 3HD1 ILE 64 8.623 -1.970 6.610 508 HD12 ILE 64 1HD1 ILE 64 9.924 -3.104 7.047 509 HD13 ILE 64 2HD1 ILE 64 9.503 -2.811 5.340 510 H SER 65 H SER 65 7.425 -7.913 4.350 511 HA SER 65 HA SER 65 8.418 -10.474 5.422 512 HB2 SER 65 2HB SER 65 6.459 -10.282 3.823 513 HB3 SER 65 3HB SER 65 7.561 -9.631 2.608 514 HG SER 65 HG SER 65 7.108 -12.032 2.676 515 H SER 66 H SER 66 10.555 -11.188 4.982 516 HA SER 66 HA SER 66 12.529 -9.315 4.208 517 HB2 SER 66 2HB SER 66 12.687 -11.533 5.576 518 HB3 SER 66 3HB SER 66 12.903 -12.319 4.007 519 HG SER 66 HG SER 66 14.476 -10.171 5.068 520 H ASP 67 H ASP 67 10.369 -11.168 2.310 521 HA ASP 67 HA ASP 67 11.905 -11.379 -0.109 522 HB2 ASP 67 2HB ASP 67 9.471 -12.421 0.863 523 HB3 ASP 67 3HB ASP 67 8.981 -11.363 -0.456 524 H GLY 68 H GLY 68 10.623 -8.727 1.445 525 HA2 GLY 68 2HA GLY 68 10.934 -6.546 0.797 526 HA3 GLY 68 3HA GLY 68 10.953 -7.010 -0.921 527 H VAL 69 H VAL 69 8.450 -7.911 1.521 528 HA VAL 69 HA VAL 69 6.568 -6.134 0.026 529 HB VAL 69 HB VAL 69 5.904 -8.889 1.096 530 HG11 VAL 69 1HG1 VAL 69 4.390 -7.033 -0.798 531 HG12 VAL 69 2HG1 VAL 69 3.857 -8.613 -0.181 532 HG13 VAL 69 3HG1 VAL 69 4.019 -7.247 0.922 533 HG21 VAL 69 3HG2 VAL 69 7.414 -9.224 -0.814 534 HG22 VAL 69 1HG2 VAL 69 5.756 -9.594 -1.292 535 HG23 VAL 69 2HG2 VAL 69 6.489 -8.054 -1.779 536 H ILE 70 H ILE 70 5.705 -4.642 1.234 537 HA ILE 70 HA ILE 70 5.688 -4.851 4.192 538 HB ILE 70 HB ILE 70 4.966 -2.495 2.377 539 HG12 ILE 70 2HG1 ILE 70 7.645 -3.242 3.569 540 HG13 ILE 70 3HG1 ILE 70 7.227 -2.881 1.901 541 HG21 ILE 70 1HG2 ILE 70 3.936 -2.402 4.612 542 HG22 ILE 70 2HG2 ILE 70 5.524 -2.626 5.363 543 HG23 ILE 70 3HG2 ILE 70 5.150 -1.150 4.445 544 HD11 ILE 70 3HD1 ILE 70 6.789 -0.486 2.577 545 HD12 ILE 70 1HD1 ILE 70 7.431 -0.887 4.190 546 HD13 ILE 70 2HD1 ILE 70 8.469 -1.023 2.768 547 H VAL 71 H VAL 71 3.693 -5.491 5.175 548 HA VAL 71 HA VAL 71 1.258 -4.945 3.583 549 HB VAL 71 HB VAL 71 0.196 -6.952 4.409 550 HG11 VAL 71 1HG1 VAL 71 1.243 -6.886 2.191 551 HG12 VAL 71 2HG1 VAL 71 2.751 -7.538 2.866 552 HG13 VAL 71 3HG1 VAL 71 1.275 -8.514 2.874 553 HG21 VAL 71 3HG2 VAL 71 1.570 -7.409 6.404 554 HG22 VAL 71 1HG2 VAL 71 1.433 -8.814 5.331 555 HG23 VAL 71 2HG2 VAL 71 2.933 -7.865 5.338 556 H ILE 72 H ILE 72 -0.508 -4.208 4.682 557 HA ILE 72 HA ILE 72 -0.234 -3.628 7.586 558 HB ILE 72 HB ILE 72 -0.884 -1.604 5.409 559 HG12 ILE 72 2HG1 ILE 72 1.560 -1.791 7.236 560 HG13 ILE 72 3HG1 ILE 72 1.524 -2.109 5.501 561 HG21 ILE 72 1HG2 ILE 72 -1.005 0.067 7.205 562 HG22 ILE 72 2HG2 ILE 72 -2.216 -1.172 7.428 563 HG23 ILE 72 3HG2 ILE 72 -0.736 -1.191 8.428 564 HD11 ILE 72 3HD1 ILE 72 2.300 -0.059 5.366 565 HD12 ILE 72 1HD1 ILE 72 0.584 0.360 5.369 566 HD13 ILE 72 2HD1 ILE 72 1.506 0.502 6.873 567 H LYS 73 H LYS 73 -2.292 -3.636 8.622 568 HA LYS 73 HA LYS 73 -4.585 -4.310 6.847 569 HB2 LYS 73 2HB LYS 73 -3.998 -5.512 9.546 570 HB3 LYS 73 3HB LYS 73 -5.358 -5.897 8.474 571 HG2 LYS 73 2HG LYS 73 -3.663 -6.654 6.750 572 HG3 LYS 73 3HG LYS 73 -2.391 -6.438 7.963 573 HD2 LYS 73 2HD LYS 73 -3.520 -8.092 9.438 574 HD3 LYS 73 3HD LYS 73 -4.739 -8.364 8.172 575 HE2 LYS 73 2HE LYS 73 -2.899 -9.059 6.627 576 HE3 LYS 73 3HE LYS 73 -1.718 -8.786 7.869 577 HZ1 LYS 73 3HZ LYS 73 -2.777 -10.584 9.143 578 HZ2 LYS 73 1HZ LYS 73 -2.348 -11.072 7.634 579 HZ3 LYS 73 2HZ LYS 73 -3.926 -10.777 7.960 580 H ALA 74 H ALA 74 -5.592 -2.390 6.829 581 HA ALA 74 HA ALA 74 -5.838 -0.789 9.319 582 HB1 ALA 74 1HB ALA 74 -6.921 0.856 7.760 583 HB2 ALA 74 2HB ALA 74 -5.237 0.488 7.381 584 HB3 ALA 74 3HB ALA 74 -6.549 -0.247 6.422 585 H GLN 75 H GLN 75 -7.627 -0.713 10.499 586 HA GLN 75 HA GLN 75 -10.231 -1.521 9.492 587 HB2 GLN 75 2HB GLN 75 -9.891 -2.826 12.064 588 HB3 GLN 75 3HB GLN 75 -10.542 -3.425 10.565 589 HG2 GLN 75 2HG GLN 75 -8.099 -3.848 9.842 590 HG3 GLN 75 3HG GLN 75 -7.658 -3.508 11.505 591 HE21 GLN 75 1HE2 GLN 75 -7.964 -5.906 9.485 592 HE22 GLN 75 2HE2 GLN 75 -8.641 -7.182 10.461 593 H GLU 76 H GLU 76 -11.306 0.204 10.071 594 HA GLU 76 HA GLU 76 -11.324 1.273 12.812 595 HB2 GLU 76 2HB GLU 76 -10.588 2.977 10.362 596 HB3 GLU 76 3HB GLU 76 -11.159 3.610 11.909 597 HG2 GLU 76 2HG GLU 76 -9.133 2.502 12.981 598 HG3 GLU 76 3HG GLU 76 -8.565 2.156 11.333 599 H TYR 77 H TYR 77 -12.220 2.245 9.506 600 HA TYR 77 HA TYR 77 -14.898 2.955 10.178 601 HB2 TYR 77 2HB TYR 77 -13.669 2.370 7.459 602 HB3 TYR 77 3HB TYR 77 -15.133 3.283 7.757 603 HD1 TYR 77 1HD TYR 77 -11.406 3.332 8.036 604 HD2 TYR 77 2HD TYR 77 -15.059 5.659 8.251 605 HE1 TYR 77 1HE TYR 77 -10.096 5.411 7.984 606 HE2 TYR 77 2HE TYR 77 -13.742 7.723 8.125 607 HH TYR 77 HH TYR 77 -10.156 7.709 7.747 608 H ARG 78 H ARG 78 -16.822 2.029 9.543 609 HA ARG 78 HA ARG 78 -16.803 -0.883 9.364 610 HB2 ARG 78 2HB ARG 78 -19.232 -0.764 9.352 611 HB3 ARG 78 3HB ARG 78 -18.574 0.179 10.674 612 HG2 ARG 78 2HG ARG 78 -19.321 1.537 8.056 613 HG3 ARG 78 3HG ARG 78 -20.571 1.093 9.216 614 HD2 ARG 78 2HD ARG 78 -19.459 2.411 10.980 615 HD3 ARG 78 3HD ARG 78 -18.197 2.880 9.826 616 HE ARG 78 HE ARG 78 -20.647 3.568 8.683 617 HH11 ARG 78 1HH1 ARG 78 -18.627 4.478 11.478 618 HH12 ARG 78 2HH1 ARG 78 -19.165 6.116 11.548 619 HH21 ARG 78 1HH2 ARG 78 -21.264 5.863 8.669 620 HH22 ARG 78 2HH2 ARG 78 -20.732 6.879 9.970 621 H SER 79 H SER 79 -16.375 1.561 6.984 622 HA SER 79 HA SER 79 -17.606 -0.023 4.832 623 HB2 SER 79 2HB SER 79 -16.492 2.802 4.883 624 HB3 SER 79 3HB SER 79 -17.416 2.054 3.569 625 HG SER 79 HG SER 79 -19.155 1.801 5.131 626 H GLN 80 H GLN 80 -16.303 -1.113 3.438 627 HA GLN 80 HA GLN 80 -13.579 -1.538 4.058 628 HB2 GLN 80 2HB GLN 80 -15.536 -2.855 2.681 629 HB3 GLN 80 3HB GLN 80 -14.607 -2.245 1.325 630 HG2 GLN 80 2HG GLN 80 -13.063 -3.862 1.614 631 HG3 GLN 80 3HG GLN 80 -12.817 -3.393 3.289 632 HE21 GLN 80 1HE2 GLN 80 -12.659 -5.294 4.268 633 HE22 GLN 80 2HE2 GLN 80 -13.771 -6.605 4.280 634 H GLU 81 H GLU 81 -15.124 0.484 1.640 635 HA GLU 81 HA GLU 81 -12.955 1.381 0.161 636 HB2 GLU 81 2HB GLU 81 -15.482 1.425 -0.174 637 HB3 GLU 81 3HB GLU 81 -15.522 2.907 0.779 638 HG2 GLU 81 2HG GLU 81 -14.399 4.133 -0.910 639 HG3 GLU 81 3HG GLU 81 -13.693 2.677 -1.626 640 H LEU 82 H LEU 82 -13.710 2.236 3.407 641 HA LEU 82 HA LEU 82 -12.118 4.773 3.234 642 HB2 LEU 82 2HB LEU 82 -13.784 3.678 5.499 643 HB3 LEU 82 3HB LEU 82 -13.008 5.269 5.420 644 HG LEU 82 HG LEU 82 -15.271 4.273 3.627 645 HD11 LEU 82 1HD1 LEU 82 -16.678 5.834 4.824 646 HD12 LEU 82 2HD1 LEU 82 -15.315 6.361 5.827 647 HD13 LEU 82 3HD1 LEU 82 -15.942 4.699 5.963 648 HD21 LEU 82 3HD2 LEU 82 -13.898 5.853 2.386 649 HD22 LEU 82 1HD2 LEU 82 -13.925 6.992 3.759 650 HD23 LEU 82 2HD2 LEU 82 -15.421 6.612 2.865 651 H ASN 83 H ASN 83 -11.950 1.457 4.411 652 HA ASN 83 HA ASN 83 -9.771 2.055 6.265 653 HB2 ASN 83 2HB ASN 83 -10.868 -0.518 5.092 654 HB3 ASN 83 3HB ASN 83 -9.460 -0.468 6.158 655 HD21 ASN 83 1HD2 ASN 83 -12.997 -0.220 6.069 656 HD22 ASN 83 2HD2 ASN 83 -13.121 -0.294 7.798 657 H ARG 84 H ARG 84 -10.011 1.503 2.820 658 HA ARG 84 HA ARG 84 -7.351 0.542 2.361 659 HB2 ARG 84 2HB ARG 84 -7.725 1.840 0.081 660 HB3 ARG 84 3HB ARG 84 -8.409 0.264 0.406 661 HG2 ARG 84 2HG ARG 84 -10.566 1.065 0.731 662 HG3 ARG 84 3HG ARG 84 -10.077 2.733 0.966 663 HD2 ARG 84 2HD ARG 84 -9.610 1.240 -1.633 664 HD3 ARG 84 3HD ARG 84 -11.125 2.092 -1.284 665 HE ARG 84 HE ARG 84 -8.751 3.750 -0.976 666 HH11 ARG 84 1HH1 ARG 84 -10.821 2.460 -3.589 667 HH12 ARG 84 2HH1 ARG 84 -10.870 3.936 -4.433 668 HH21 ARG 84 1HH2 ARG 84 -8.601 5.622 -2.325 669 HH22 ARG 84 2HH2 ARG 84 -9.594 5.735 -3.741 670 H GLU 85 H GLU 85 -8.585 3.902 2.468 671 HA GLU 85 HA GLU 85 -5.967 4.962 1.975 672 HB2 GLU 85 2HB GLU 85 -6.964 7.109 2.531 673 HB3 GLU 85 3HB GLU 85 -7.997 6.204 1.414 674 HG2 GLU 85 2HG GLU 85 -9.538 5.612 3.122 675 HG3 GLU 85 3HG GLU 85 -8.454 6.199 4.412 676 H ALA 86 H ALA 86 -7.710 4.079 4.990 677 HA ALA 86 HA ALA 86 -5.977 5.415 6.733 678 HB1 ALA 86 1HB ALA 86 -8.110 4.516 7.427 679 HB2 ALA 86 2HB ALA 86 -7.575 2.856 7.115 680 HB3 ALA 86 3HB ALA 86 -6.829 3.797 8.435 681 H ALA 87 H ALA 87 -5.356 2.585 4.822 682 HA ALA 87 HA ALA 87 -3.135 1.640 6.502 683 HB1 ALA 87 1HB ALA 87 -2.782 0.018 4.702 684 HB2 ALA 87 2HB ALA 87 -4.489 0.027 5.178 685 HB3 ALA 87 3HB ALA 87 -3.991 0.842 3.686 686 H LEU 88 H LEU 88 -3.568 3.777 3.642 687 HA LEU 88 HA LEU 88 -0.818 3.690 2.860 688 HB2 LEU 88 2HB LEU 88 -1.261 5.266 1.269 689 HB3 LEU 88 3HB LEU 88 -2.801 4.474 1.473 690 HG LEU 88 HG LEU 88 -3.196 6.565 3.163 691 HD11 LEU 88 1HD1 LEU 88 -0.968 7.576 2.829 692 HD12 LEU 88 2HD1 LEU 88 -2.291 8.615 2.287 693 HD13 LEU 88 3HD1 LEU 88 -1.316 7.728 1.093 694 HD21 LEU 88 3HD2 LEU 88 -4.457 5.896 0.995 695 HD22 LEU 88 1HD2 LEU 88 -3.439 7.071 0.183 696 HD23 LEU 88 2HD2 LEU 88 -4.523 7.572 1.514 697 H ALA 89 H ALA 89 -2.606 5.672 5.207 698 HA ALA 89 HA ALA 89 -0.604 7.600 5.736 699 HB1 ALA 89 1HB ALA 89 -2.623 6.366 7.675 700 HB2 ALA 89 2HB ALA 89 -1.756 7.899 7.896 701 HB3 ALA 89 3HB ALA 89 -2.932 7.738 6.582 702 H ARG 90 H ARG 90 -1.131 4.375 7.164 703 HA ARG 90 HA ARG 90 1.096 4.423 8.971 704 HB2 ARG 90 2HB ARG 90 -0.533 2.182 7.705 705 HB3 ARG 90 3HB ARG 90 0.715 1.895 8.925 706 HG2 ARG 90 2HG ARG 90 -0.466 3.233 10.550 707 HG3 ARG 90 3HG ARG 90 -1.674 3.740 9.356 708 HD2 ARG 90 2HD ARG 90 -2.501 1.479 9.136 709 HD3 ARG 90 3HD ARG 90 -1.248 0.859 10.210 710 HE ARG 90 HE ARG 90 -3.692 2.345 10.898 711 HH11 ARG 90 1HH1 ARG 90 -0.551 1.219 12.273 712 HH12 ARG 90 2HH1 ARG 90 -1.274 1.031 13.855 713 HH21 ARG 90 1HH2 ARG 90 -4.419 2.299 12.903 714 HH22 ARG 90 2HH2 ARG 90 -3.484 1.842 14.297 715 H LEU 91 H LEU 91 0.686 3.270 5.617 716 HA LEU 91 HA LEU 91 3.197 2.029 5.340 717 HB2 LEU 91 2HB LEU 91 1.350 1.785 3.682 718 HB3 LEU 91 3HB LEU 91 1.498 3.481 3.258 719 HG LEU 91 HG LEU 91 3.760 3.113 2.382 720 HD11 LEU 91 1HD1 LEU 91 3.229 0.203 3.122 721 HD12 LEU 91 2HD1 LEU 91 4.556 1.260 3.690 722 HD13 LEU 91 3HD1 LEU 91 4.505 0.726 2.008 723 HD21 LEU 91 3HD2 LEU 91 3.131 1.894 0.363 724 HD22 LEU 91 1HD2 LEU 91 1.839 2.986 0.884 725 HD23 LEU 91 2HD2 LEU 91 1.694 1.247 1.182 726 H VAL 92 H VAL 92 2.257 5.361 4.569 727 HA VAL 92 HA VAL 92 4.811 6.257 3.732 728 HB VAL 92 HB VAL 92 2.560 7.766 5.166 729 HG11 VAL 92 1HG1 VAL 92 4.531 9.163 5.376 730 HG12 VAL 92 2HG1 VAL 92 4.953 8.912 3.667 731 HG13 VAL 92 3HG1 VAL 92 3.510 9.845 4.113 732 HG21 VAL 92 3HG2 VAL 92 2.015 6.744 2.897 733 HG22 VAL 92 1HG2 VAL 92 1.796 8.490 3.030 734 HG23 VAL 92 2HG2 VAL 92 3.237 7.843 2.215 735 H ALA 93 H ALA 93 3.443 6.025 6.959 736 HA ALA 93 HA ALA 93 5.449 7.466 8.379 737 HB1 ALA 93 1HB ALA 93 3.581 5.277 9.392 738 HB2 ALA 93 2HB ALA 93 4.500 6.413 10.392 739 HB3 ALA 93 3HB ALA 93 3.213 7.014 9.316 740 H MET 94 H MET 94 4.950 3.893 8.302 741 HA MET 94 HA MET 94 7.439 3.327 9.544 742 HB2 MET 94 2HB MET 94 7.192 1.050 8.731 743 HB3 MET 94 3HB MET 94 5.676 1.680 9.413 744 HG2 MET 94 2HG MET 94 5.006 2.263 7.006 745 HG3 MET 94 3HG MET 94 6.378 1.326 6.480 746 HE1 MET 94 3HE MET 94 6.575 -1.308 7.103 747 HE2 MET 94 1HE MET 94 6.086 -1.132 8.801 748 HE3 MET 94 2HE MET 94 5.241 -2.291 7.762 749 H ILE 95 H ILE 95 6.694 3.777 6.009 750 HA ILE 95 HA ILE 95 9.276 3.020 5.123 751 HB ILE 95 HB ILE 95 7.199 4.955 4.037 752 HG12 ILE 95 2HG1 ILE 95 8.251 2.290 2.939 753 HG13 ILE 95 3HG1 ILE 95 6.832 2.428 3.970 754 HG21 ILE 95 1HG2 ILE 95 8.518 5.119 1.930 755 HG22 ILE 95 2HG2 ILE 95 9.415 5.797 3.263 756 HG23 ILE 95 3HG2 ILE 95 9.834 4.183 2.667 757 HD11 ILE 95 3HD1 ILE 95 5.808 3.994 2.278 758 HD12 ILE 95 1HD1 ILE 95 7.155 3.610 1.177 759 HD13 ILE 95 2HD1 ILE 95 6.072 2.332 1.690 760 H LYS 96 H LYS 96 8.078 6.253 6.279 761 HA LYS 96 HA LYS 96 10.558 7.578 5.788 762 HB2 LYS 96 2HB LYS 96 8.245 8.157 7.672 763 HB3 LYS 96 3HB LYS 96 9.668 9.200 7.582 764 HG2 LYS 96 2HG LYS 96 9.302 9.667 5.243 765 HG3 LYS 96 3HG LYS 96 7.986 8.494 5.153 766 HD2 LYS 96 2HD LYS 96 6.649 9.819 6.748 767 HD3 LYS 96 3HD LYS 96 7.982 10.988 6.892 768 HE2 LYS 96 2HE LYS 96 7.825 11.322 4.366 769 HE3 LYS 96 3HE LYS 96 6.364 10.322 4.386 770 HZ1 LYS 96 3HZ LYS 96 5.429 11.970 5.970 771 HZ2 LYS 96 1HZ LYS 96 5.740 12.587 4.501 772 HZ3 LYS 96 2HZ LYS 96 6.782 12.900 5.750 773 H GLU 97 H GLU 97 9.374 5.760 8.610 774 HA GLU 97 HA GLU 97 11.494 6.576 10.378 775 HB2 GLU 97 2HB GLU 97 9.464 4.302 10.386 776 HB3 GLU 97 3HB GLU 97 10.665 4.516 11.656 777 HG2 GLU 97 2HG GLU 97 9.828 6.911 11.930 778 HG3 GLU 97 3HG GLU 97 8.506 6.517 10.838 779 H LEU 98 H LEU 98 11.044 3.824 8.184 780 HA LEU 98 HA LEU 98 13.449 2.425 9.034 781 HB2 LEU 98 2HB LEU 98 11.574 2.234 6.653 782 HB3 LEU 98 3HB LEU 98 12.888 1.075 6.951 783 HG LEU 98 HG LEU 98 10.594 1.667 8.864 784 HD11 LEU 98 1HD1 LEU 98 10.960 -0.648 6.930 785 HD12 LEU 98 2HD1 LEU 98 9.746 0.644 6.829 786 HD13 LEU 98 3HD1 LEU 98 9.683 -0.517 8.165 787 HD21 LEU 98 3HD2 LEU 98 11.320 -0.563 9.874 788 HD22 LEU 98 1HD2 LEU 98 12.271 0.876 10.237 789 HD23 LEU 98 2HD2 LEU 98 12.875 -0.266 9.036 790 H THR 99 H THR 99 12.642 4.653 6.408 791 HA THR 99 HA THR 99 15.252 4.267 5.117 792 HB THR 99 HB THR 99 14.571 6.294 3.734 793 HG1 THR 99 1HG THR 99 12.041 5.805 4.901 794 HG21 THR 99 3HG2 THR 99 14.237 4.067 2.868 795 HG22 THR 99 1HG2 THR 99 12.789 5.022 2.531 796 HG23 THR 99 2HG2 THR 99 12.774 3.837 3.851 797 H THR 100 H THR 100 14.114 6.355 7.683 798 HA THR 100 HA THR 100 16.483 8.084 7.394 799 HB THR 100 HB THR 100 14.050 8.837 7.843 800 HG1 THR 100 1HG THR 100 15.748 10.148 7.723 801 HG21 THR 100 3HG2 THR 100 13.291 9.102 10.042 802 HG22 THR 100 1HG2 THR 100 14.817 8.543 10.762 803 HG23 THR 100 2HG2 THR 100 13.746 7.404 9.926 804 H GLU 101 H GLU 101 17.015 8.576 10.145 805 HA GLU 101 HA GLU 101 17.669 5.984 11.277 806 HB2 GLU 101 2HB GLU 101 19.582 6.619 9.702 807 HB3 GLU 101 3HB GLU 101 19.883 8.024 10.712 808 HG2 GLU 101 2HG GLU 101 21.376 6.027 11.159 809 HG3 GLU 101 3HG GLU 101 20.517 6.620 12.579 810 H LYS 102 H LYS 102 18.289 6.187 13.494 811 HA LYS 102 HA LYS 102 16.688 7.970 14.997 812 HB2 LYS 102 2HB LYS 102 19.131 6.335 15.778 813 HB3 LYS 102 3HB LYS 102 18.091 7.176 16.937 814 HG2 LYS 102 2HG LYS 102 16.162 5.805 16.228 815 HG3 LYS 102 3HG LYS 102 17.192 4.918 15.097 816 HD2 LYS 102 2HD LYS 102 17.627 5.070 18.118 817 HD3 LYS 102 3HD LYS 102 16.830 3.741 17.276 818 HE2 LYS 102 2HE LYS 102 18.872 3.221 16.031 819 HE3 LYS 102 3HE LYS 102 19.705 4.605 16.748 820 HZ1 LYS 102 3HZ LYS 102 19.575 3.550 18.892 821 HZ2 LYS 102 1HZ LYS 102 20.248 2.512 17.836 822 HZ3 LYS 102 2HZ LYS 102 18.717 2.266 18.274 823 H LYS 103 H LYS 103 17.045 10.190 14.584 824 HA LYS 103 HA LYS 103 19.372 11.348 15.851 825 HB2 LYS 103 2HB LYS 103 20.040 10.741 13.440 826 HB3 LYS 103 3HB LYS 103 18.898 11.960 12.898 827 HG2 LYS 103 2HG LYS 103 20.256 13.702 13.562 828 HG3 LYS 103 3HG LYS 103 20.817 12.867 15.009 829 HD2 LYS 103 2HD LYS 103 22.285 11.423 13.697 830 HD3 LYS 103 3HD LYS 103 21.772 12.197 12.188 831 HE2 LYS 103 2HE LYS 103 23.014 13.737 14.510 832 HE3 LYS 103 3HE LYS 103 23.993 12.952 13.281 833 HZ1 LYS 103 3HZ LYS 103 23.646 15.223 12.736 834 HZ2 LYS 103 1HZ LYS 103 21.982 15.053 12.680 835 HZ3 LYS 103 2HZ LYS 103 22.961 14.288 11.607 836 H ALA 104 H ALA 104 19.012 13.768 15.939 837 HA ALA 104 HA ALA 104 17.755 15.510 16.548 838 HB1 ALA 104 1HB ALA 104 16.065 16.317 15.028 839 HB2 ALA 104 2HB ALA 104 17.403 15.609 14.089 840 HB3 ALA 104 3HB ALA 104 15.891 14.714 14.293 841 H ARG 105 H ARG 105 17.251 12.907 17.836 842 HA ARG 105 HA ARG 105 14.371 12.858 18.494 843 HB2 ARG 105 2HB ARG 105 16.779 11.379 19.661 844 HB3 ARG 105 3HB ARG 105 15.114 11.078 20.149 845 HG2 ARG 105 2HG ARG 105 15.952 10.725 17.238 846 HG3 ARG 105 3HG ARG 105 16.297 9.502 18.443 847 HD2 ARG 105 2HD ARG 105 14.283 8.878 17.315 848 HD3 ARG 105 3HD ARG 105 13.912 9.280 18.982 849 HE ARG 105 HE ARG 105 12.822 11.269 18.311 850 HH11 ARG 105 1HH1 ARG 105 13.515 9.129 15.418 851 HH12 ARG 105 2HH1 ARG 105 12.446 10.116 14.474 852 HH21 ARG 105 1HH2 ARG 105 11.386 12.240 16.989 853 HH22 ARG 105 2HH2 ARG 105 11.155 11.692 15.327 854 H ARG 106 H ARG 106 13.716 13.171 20.824 855 HA ARG 106 HA ARG 106 13.482 14.429 22.643 856 HB2 ARG 106 2HB ARG 106 16.530 14.237 22.610 857 HB3 ARG 106 3HB ARG 106 15.720 15.053 23.892 858 HG2 ARG 106 2HG ARG 106 15.132 12.171 23.094 859 HG3 ARG 106 3HG ARG 106 16.295 12.649 24.323 860 HD2 ARG 106 2HD ARG 106 13.312 13.320 24.430 861 HD3 ARG 106 3HD ARG 106 14.050 11.955 25.227 862 HE ARG 106 HE ARG 106 13.949 14.631 26.170 863 HH11 ARG 106 1HH1 ARG 106 15.989 11.724 26.390 864 HH12 ARG 106 2HH1 ARG 106 16.909 12.349 27.728 865 HH21 ARG 106 1HH2 ARG 106 15.146 15.400 27.902 866 HH22 ARG 106 2HH2 ARG 106 16.423 14.445 28.592 867 HA PRO 107 HA PRO 107 13.469 18.643 21.465 868 HB2 PRO 107 2HB PRO 107 13.298 20.076 23.779 869 HB3 PRO 107 3HB PRO 107 11.990 18.972 23.262 870 HG2 PRO 107 2HG PRO 107 14.236 18.429 25.234 871 HG3 PRO 107 3HG PRO 107 12.479 18.134 25.444 872 HD2 PRO 107 2HD PRO 107 14.221 16.198 24.664 873 HD3 PRO 107 3HD PRO 107 12.545 16.228 24.062 874 H THR 108 H THR 108 14.701 20.890 22.194 875 HA THR 108 HA THR 108 17.562 20.240 22.668 876 HB THR 108 HB THR 108 17.088 20.636 20.270 877 HG1 THR 108 1HG THR 108 19.081 21.387 21.539 878 HG21 THR 108 3HG2 THR 108 15.266 22.299 20.411 879 HG22 THR 108 1HG2 THR 108 16.625 22.919 19.461 880 HG23 THR 108 2HG2 THR 108 16.387 23.483 21.121 881 H ARG 109 H ARG 109 18.719 21.903 23.732 882 HA ARG 109 HA ARG 109 17.143 23.209 25.800 883 HB2 ARG 109 2HB ARG 109 19.361 22.214 26.240 884 HB3 ARG 109 3HB ARG 109 20.114 23.327 25.093 885 HG2 ARG 109 2HG ARG 109 19.356 25.247 26.533 886 HG3 ARG 109 3HG ARG 109 18.708 24.063 27.694 887 HD2 ARG 109 2HD ARG 109 20.921 23.098 27.958 888 HD3 ARG 109 3HD ARG 109 21.606 24.229 26.763 889 HE ARG 109 HE ARG 109 20.420 25.864 28.616 890 HH11 ARG 109 1HH1 ARG 109 22.906 23.316 28.733 891 HH12 ARG 109 2HH1 ARG 109 23.423 23.710 30.353 892 HH21 ARG 109 1HH2 ARG 109 21.259 26.503 30.663 893 HH22 ARG 109 2HH2 ARG 109 22.569 25.642 31.405 894 H SER 110 H SER 110 19.656 24.712 23.744 895 HA SER 110 HA SER 110 17.831 26.886 22.929 896 HB2 SER 110 2HB SER 110 20.605 27.256 24.154 897 HB3 SER 110 3HB SER 110 19.486 28.535 23.659 898 HG SER 110 HG SER 110 18.101 27.952 25.286 899 H GLY 111 H GLY 111 19.059 28.274 21.216 900 HA2 GLY 111 2HA GLY 111 21.312 27.182 19.837 901 HA3 GLY 111 3HA GLY 111 19.774 26.879 18.993 902 HA PRO 112 HA PRO 112 21.256 31.436 18.676 903 HB2 PRO 112 2HB PRO 112 22.315 31.535 16.131 904 HB3 PRO 112 3HB PRO 112 23.260 31.174 17.604 905 HG2 PRO 112 2HG PRO 112 22.042 29.200 15.644 906 HG3 PRO 112 3HG PRO 112 23.719 29.226 16.292 907 HD2 PRO 112 2HD PRO 112 21.828 27.617 17.380 908 HD3 PRO 112 3HD PRO 112 22.995 28.472 18.426 909 H SER 113 H SER 113 19.397 29.275 16.505 910 HA SER 113 HA SER 113 18.149 31.532 15.139 911 HB2 SER 113 2HB SER 113 17.886 28.544 15.008 912 HB3 SER 113 3HB SER 113 16.598 29.545 14.373 913 HG SER 113 HG SER 113 17.868 30.441 12.946 914 H SER 114 H SER 114 17.715 32.485 17.368 915 HA SER 114 HA SER 114 15.568 31.551 18.999 916 HB2 SER 114 2HB SER 114 17.193 33.339 19.625 917 HB3 SER 114 3HB SER 114 16.434 34.436 18.451 918 HG SER 114 HG SER 114 14.598 34.474 19.693 919 H GLY 115 H GLY 115 15.612 33.956 16.317 920 HA2 GLY 115 2HA GLY 115 14.117 34.236 14.572 921 HA3 GLY 115 3HA GLY 115 13.029 33.037 15.303 922 H GLU 116 H GLU 116 12.027 35.412 14.260 923 HA GLU 116 HA GLU 116 10.605 36.533 16.482 924 HB2 GLU 116 2HB GLU 116 12.697 37.879 16.568 925 HB3 GLU 116 3HB GLU 116 12.550 38.251 14.852 926 HG2 GLU 116 2HG GLU 116 11.905 40.114 16.384 927 HG3 GLU 116 3HG GLU 116 10.660 39.672 15.233 928 H ASN 117 H ASN 117 8.930 38.035 15.496 929 HA ASN 117 HA ASN 117 7.967 36.920 12.963 930 HB2 ASN 117 2HB ASN 117 5.889 37.632 13.541 931 HB3 ASN 117 3HB ASN 117 6.559 37.408 15.150 932 HD21 ASN 117 1HD2 ASN 117 7.656 39.631 16.062 933 HD22 ASN 117 2HD2 ASN 117 6.715 41.054 15.687 934 H LEU 118 H LEU 118 7.916 38.020 11.027 935 HA LEU 118 HA LEU 118 9.516 40.491 10.859 936 HB2 LEU 118 2HB LEU 118 8.297 38.563 8.888 937 HB3 LEU 118 3HB LEU 118 8.491 40.236 8.382 938 HG LEU 118 HG LEU 118 10.884 40.194 8.907 939 HD11 LEU 118 1HD1 LEU 118 10.985 38.464 10.658 940 HD12 LEU 118 2HD1 LEU 118 12.055 38.050 9.318 941 HD13 LEU 118 3HD1 LEU 118 10.494 37.223 9.487 942 HD21 LEU 118 3HD2 LEU 118 11.573 38.810 7.011 943 HD22 LEU 118 1HD2 LEU 118 10.054 39.640 6.634 944 HD23 LEU 118 2HD2 LEU 118 10.038 37.917 7.069 945 H TYR 119 H TYR 119 8.405 42.143 11.868 946 HA TYR 119 HA TYR 119 5.543 42.358 11.785 947 HB2 TYR 119 2HB TYR 119 7.101 43.185 13.622 948 HB3 TYR 119 3HB TYR 119 7.574 44.494 12.535 949 HD1 TYR 119 1HD TYR 119 4.589 42.852 14.129 950 HD2 TYR 119 2HD TYR 119 6.219 46.477 12.437 951 HE1 TYR 119 1HE TYR 119 2.529 44.083 14.773 952 HE2 TYR 119 2HE TYR 119 4.174 47.698 13.058 953 HH TYR 119 HH TYR 119 1.960 47.430 13.750 954 H PHE 120 H PHE 120 4.406 44.355 10.770 955 HA PHE 120 HA PHE 120 5.796 45.571 8.562 956 HB2 PHE 120 2HB PHE 120 4.139 44.679 6.888 957 HB3 PHE 120 3HB PHE 120 5.219 43.478 7.531 958 HD1 PHE 120 2HD PHE 120 1.691 44.715 7.631 959 HD2 PHE 120 1HD PHE 120 4.417 41.589 8.817 960 HE1 PHE 120 2HE PHE 120 -0.207 43.245 8.149 961 HE2 PHE 120 1HE PHE 120 2.496 40.121 9.351 962 HZ PHE 120 HZ PHE 120 0.178 40.934 8.996 963 H GLN 121 H GLN 121 3.686 46.570 7.210 964 HA GLN 121 HA GLN 121 1.800 47.891 8.993 965 HB2 GLN 121 2HB GLN 121 3.717 49.428 8.901 966 HB3 GLN 121 3HB GLN 121 3.844 49.241 7.140 967 HG2 GLN 121 2HG GLN 121 2.882 51.397 7.718 968 HG3 GLN 121 3HG GLN 121 1.720 50.430 6.828 969 HE21 GLN 121 1HE2 GLN 121 0.048 49.292 8.128 970 HE22 GLN 121 2HE2 GLN 121 -0.559 50.081 9.607 Start of MODEL 18 1 H1 MET 1 H MET 1 -0.982 8.946 -4.356 2 HA MET 1 HA MET 1 0.806 9.410 -5.945 3 HB2 MET 1 2HB MET 1 0.781 12.210 -4.787 4 HB3 MET 1 3HB MET 1 1.985 11.554 -5.872 5 HG2 MET 1 2HG MET 1 -0.944 11.957 -6.538 6 HG3 MET 1 3HG MET 1 0.440 12.838 -7.183 7 HE1 MET 1 3HE MET 1 2.207 10.183 -9.451 8 HE2 MET 1 1HE MET 1 2.353 11.735 -8.592 9 HE3 MET 1 2HE MET 1 2.527 10.200 -7.704 10 H ILE 2 H ILE 2 0.333 9.320 -2.545 11 HA ILE 2 HA ILE 2 1.723 9.261 -0.749 12 HB ILE 2 HB ILE 2 2.880 7.026 -2.438 13 HG12 ILE 2 2HG1 ILE 2 0.144 7.164 -1.091 14 HG13 ILE 2 3HG1 ILE 2 0.472 7.031 -2.822 15 HG21 ILE 2 1HG2 ILE 2 2.028 6.942 0.460 16 HG22 ILE 2 2HG2 ILE 2 3.112 5.828 -0.385 17 HG23 ILE 2 3HG2 ILE 2 3.666 7.449 -0.008 18 HD11 ILE 2 3HD1 ILE 2 -0.195 4.862 -2.000 19 HD12 ILE 2 1HD1 ILE 2 1.539 4.787 -2.374 20 HD13 ILE 2 2HD1 ILE 2 0.992 4.918 -0.685 21 H VAL 3 H VAL 3 2.715 11.343 -1.791 22 HA VAL 3 HA VAL 3 5.489 11.163 -2.603 23 HB VAL 3 HB VAL 3 4.002 13.560 -1.641 24 HG11 VAL 3 1HG1 VAL 3 6.410 13.972 -1.576 25 HG12 VAL 3 2HG1 VAL 3 6.538 13.515 -3.280 26 HG13 VAL 3 3HG1 VAL 3 5.616 14.954 -2.808 27 HG21 VAL 3 3HG2 VAL 3 3.064 13.999 -3.605 28 HG22 VAL 3 1HG2 VAL 3 4.413 13.379 -4.543 29 HG23 VAL 3 2HG2 VAL 3 3.206 12.278 -3.867 30 H ILE 4 H ILE 4 6.889 10.288 -1.360 31 HA ILE 4 HA ILE 4 6.925 10.584 1.552 32 HB ILE 4 HB ILE 4 8.894 9.161 -0.260 33 HG12 ILE 4 2HG1 ILE 4 6.774 8.105 -0.686 34 HG13 ILE 4 3HG1 ILE 4 7.781 7.060 0.269 35 HG21 ILE 4 1HG2 ILE 4 9.885 9.552 1.856 36 HG22 ILE 4 2HG2 ILE 4 8.432 9.008 2.730 37 HG23 ILE 4 3HG2 ILE 4 9.415 7.870 1.788 38 HD11 ILE 4 3HD1 ILE 4 5.423 8.688 1.264 39 HD12 ILE 4 1HD1 ILE 4 5.544 6.920 1.112 40 HD13 ILE 4 2HD1 ILE 4 6.506 7.755 2.336 41 H SER 5 H SER 5 8.691 11.643 -1.416 42 HA SER 5 HA SER 5 9.829 13.883 -0.042 43 HB2 SER 5 2HB SER 5 12.058 13.382 -0.058 44 HB3 SER 5 3HB SER 5 11.440 11.756 0.259 45 HG SER 5 HG SER 5 13.105 12.139 -1.409 46 H ARG 6 H ARG 6 11.295 15.082 -1.758 47 HA ARG 6 HA ARG 6 9.692 15.834 -3.950 48 HB2 ARG 6 2HB ARG 6 11.483 17.258 -3.135 49 HB3 ARG 6 3HB ARG 6 12.673 15.990 -3.362 50 HG2 ARG 6 2HG ARG 6 13.036 17.686 -5.018 51 HG3 ARG 6 3HG ARG 6 12.527 16.207 -5.814 52 HD2 ARG 6 2HD ARG 6 11.370 17.989 -6.879 53 HD3 ARG 6 3HD ARG 6 10.184 17.139 -5.886 54 HE ARG 6 HE ARG 6 11.606 19.622 -4.998 55 HH11 ARG 6 1HH1 ARG 6 8.518 18.220 -5.970 56 HH12 ARG 6 2HH1 ARG 6 7.584 19.459 -5.195 57 HH21 ARG 6 1HH2 ARG 6 10.404 21.174 -3.871 58 HH22 ARG 6 2HH2 ARG 6 8.684 21.205 -3.968 59 H HIS 7 H HIS 7 12.062 13.199 -3.738 60 HA HIS 7 HA HIS 7 11.735 12.599 -6.630 61 HB2 HIS 7 2HB HIS 7 13.833 11.537 -4.725 62 HB3 HIS 7 3HB HIS 7 13.870 11.564 -6.484 63 HD1 HIS 7 1HD HIS 7 14.669 13.932 -7.608 64 HD2 HIS 7 2HD HIS 7 14.344 13.873 -3.406 65 HE1 HIS 7 1HE HIS 7 15.791 16.055 -6.761 66 H VAL 8 H VAL 8 10.233 11.604 -3.801 67 HA VAL 8 HA VAL 8 9.855 8.842 -4.840 68 HB VAL 8 HB VAL 8 10.243 9.679 -1.948 69 HG11 VAL 8 1HG1 VAL 8 10.136 7.283 -1.458 70 HG12 VAL 8 2HG1 VAL 8 8.654 7.787 -2.291 71 HG13 VAL 8 3HG1 VAL 8 9.922 6.924 -3.191 72 HG21 VAL 8 3HG2 VAL 8 12.285 8.218 -2.044 73 HG22 VAL 8 1HG2 VAL 8 12.112 8.167 -3.807 74 HG23 VAL 8 2HG2 VAL 8 12.426 9.705 -2.966 75 H ALA 9 H ALA 9 7.812 8.850 -5.547 76 HA ALA 9 HA ALA 9 5.574 9.548 -3.845 77 HB1 ALA 9 1HB ALA 9 6.278 11.280 -6.225 78 HB2 ALA 9 2HB ALA 9 4.651 11.206 -5.490 79 HB3 ALA 9 3HB ALA 9 6.023 11.781 -4.540 80 H ILE 10 H ILE 10 4.856 7.582 -4.097 81 HA ILE 10 HA ILE 10 4.851 6.030 -6.476 82 HB ILE 10 HB ILE 10 2.901 5.582 -4.137 83 HG12 ILE 10 2HG1 ILE 10 5.778 4.606 -4.410 84 HG13 ILE 10 3HG1 ILE 10 5.274 5.871 -3.285 85 HG21 ILE 10 1HG2 ILE 10 2.984 3.286 -4.893 86 HG22 ILE 10 2HG2 ILE 10 2.613 4.255 -6.282 87 HG23 ILE 10 3HG2 ILE 10 4.270 3.679 -6.056 88 HD11 ILE 10 3HD1 ILE 10 4.079 3.091 -3.137 89 HD12 ILE 10 1HD1 ILE 10 5.539 3.590 -2.332 90 HD13 ILE 10 2HD1 ILE 10 4.006 4.404 -1.950 91 HA PRO 11 HA PRO 11 1.395 8.115 -8.325 92 HB2 PRO 11 2HB PRO 11 0.745 6.422 -10.371 93 HB3 PRO 11 3HB PRO 11 2.115 7.593 -10.344 94 HG2 PRO 11 2HG PRO 11 2.134 4.608 -9.785 95 HG3 PRO 11 3HG PRO 11 3.274 5.559 -10.791 96 HD2 PRO 11 2HD PRO 11 3.810 4.865 -8.197 97 HD3 PRO 11 3HD PRO 11 4.388 6.391 -8.893 98 H ASP 12 H ASP 12 1.225 5.208 -6.722 99 HA ASP 12 HA ASP 12 -0.320 4.453 -5.246 100 HB2 ASP 12 2HB ASP 12 -1.597 6.597 -5.527 101 HB3 ASP 12 3HB ASP 12 -2.559 5.796 -6.793 102 H GLY 13 H GLY 13 0.477 3.481 -8.130 103 HA2 GLY 13 2HA GLY 13 -1.570 1.330 -8.385 104 HA3 GLY 13 3HA GLY 13 -0.507 1.915 -9.664 105 H GLU 14 H GLU 14 1.665 1.961 -7.362 106 HA GLU 14 HA GLU 14 2.784 -0.668 -7.975 107 HB2 GLU 14 2HB GLU 14 3.656 1.452 -5.996 108 HB3 GLU 14 3HB GLU 14 4.674 0.145 -6.597 109 HG2 GLU 14 2HG GLU 14 3.603 2.455 -8.276 110 HG3 GLU 14 3HG GLU 14 5.219 2.324 -7.586 111 H LEU 15 H LEU 15 0.267 -0.196 -6.016 112 HA LEU 15 HA LEU 15 1.150 -1.966 -3.829 113 HB2 LEU 15 2HB LEU 15 -1.168 0.001 -3.629 114 HB3 LEU 15 3HB LEU 15 -0.316 -0.854 -2.357 115 HG LEU 15 HG LEU 15 1.729 0.573 -3.082 116 HD11 LEU 15 1HD1 LEU 15 1.374 1.658 -4.906 117 HD12 LEU 15 2HD1 LEU 15 0.887 2.929 -3.802 118 HD13 LEU 15 3HD1 LEU 15 -0.366 1.939 -4.610 119 HD21 LEU 15 3HD2 LEU 15 1.188 2.422 -1.624 120 HD22 LEU 15 1HD2 LEU 15 0.623 0.888 -0.924 121 HD23 LEU 15 2HD2 LEU 15 -0.544 2.001 -1.689 122 H GLU 16 H GLU 16 -0.505 -3.346 -3.083 123 HA GLU 16 HA GLU 16 -2.719 -3.960 -4.992 124 HB2 GLU 16 2HB GLU 16 -0.678 -5.557 -4.983 125 HB3 GLU 16 3HB GLU 16 -1.142 -5.980 -3.330 126 HG2 GLU 16 2HG GLU 16 -2.527 -7.492 -4.118 127 HG3 GLU 16 3HG GLU 16 -3.525 -6.220 -4.824 128 H ILE 17 H ILE 17 -4.643 -3.705 -3.959 129 HA ILE 17 HA ILE 17 -4.783 -3.715 -0.997 130 HB ILE 17 HB ILE 17 -6.325 -2.307 -3.206 131 HG12 ILE 17 2HG1 ILE 17 -5.955 -0.514 -1.194 132 HG13 ILE 17 3HG1 ILE 17 -4.595 -1.572 -0.838 133 HG21 ILE 17 1HG2 ILE 17 -7.317 -2.630 -0.364 134 HG22 ILE 17 2HG2 ILE 17 -7.972 -1.507 -1.577 135 HG23 ILE 17 3HG2 ILE 17 -8.110 -3.242 -1.841 136 HD11 ILE 17 3HD1 ILE 17 -3.863 0.217 -2.237 137 HD12 ILE 17 1HD1 ILE 17 -3.855 -1.229 -3.257 138 HD13 ILE 17 2HD1 ILE 17 -5.189 -0.048 -3.390 139 H THR 18 H THR 18 -6.294 -5.024 0.023 140 HA THR 18 HA THR 18 -7.909 -6.841 -1.650 141 HB THR 18 HB THR 18 -6.488 -8.159 0.609 142 HG1 THR 18 1HG THR 18 -4.740 -7.046 -0.504 143 HG21 THR 18 3HG2 THR 18 -8.006 -9.441 -0.809 144 HG22 THR 18 1HG2 THR 18 -6.339 -10.025 -1.013 145 HG23 THR 18 2HG2 THR 18 -7.057 -8.986 -2.250 146 H ALA 19 H ALA 19 -9.667 -7.649 -0.579 147 HA ALA 19 HA ALA 19 -10.535 -6.173 1.844 148 HB1 ALA 19 1HB ALA 19 -12.732 -7.213 1.261 149 HB2 ALA 19 2HB ALA 19 -12.091 -6.312 -0.122 150 HB3 ALA 19 3HB ALA 19 -11.982 -8.089 -0.064 151 H ILE 20 H ILE 20 -10.463 -6.995 3.783 152 HA ILE 20 HA ILE 20 -10.232 -9.953 4.036 153 HB ILE 20 HB ILE 20 -8.973 -9.312 6.171 154 HG12 ILE 20 2HG1 ILE 20 -8.164 -6.860 4.582 155 HG13 ILE 20 3HG1 ILE 20 -9.377 -6.844 5.852 156 HG21 ILE 20 1HG2 ILE 20 -7.687 -8.990 3.438 157 HG22 ILE 20 2HG2 ILE 20 -6.845 -9.434 4.942 158 HG23 ILE 20 3HG2 ILE 20 -8.049 -10.532 4.245 159 HD11 ILE 20 3HD1 ILE 20 -6.455 -7.610 6.245 160 HD12 ILE 20 1HD1 ILE 20 -7.244 -6.113 6.764 161 HD13 ILE 20 2HD1 ILE 20 -7.713 -7.652 7.498 162 H ARG 21 H ARG 21 -11.119 -10.913 5.798 163 HA ARG 21 HA ARG 21 -13.386 -9.456 7.059 164 HB2 ARG 21 2HB ARG 21 -13.780 -11.271 5.182 165 HB3 ARG 21 3HB ARG 21 -13.228 -12.409 6.389 166 HG2 ARG 21 2HG ARG 21 -15.515 -12.602 6.580 167 HG3 ARG 21 3HG ARG 21 -15.170 -11.469 7.873 168 HD2 ARG 21 2HD ARG 21 -17.078 -10.641 6.754 169 HD3 ARG 21 3HD ARG 21 -15.763 -9.589 6.245 170 HE ARG 21 HE ARG 21 -15.907 -10.388 4.076 171 HH11 ARG 21 1HH1 ARG 21 -18.323 -12.152 6.078 172 HH12 ARG 21 2HH1 ARG 21 -19.090 -12.803 4.681 173 HH21 ARG 21 1HH2 ARG 21 -16.844 -11.520 2.331 174 HH22 ARG 21 2HH2 ARG 21 -18.335 -12.359 2.536 175 H ALA 22 H ALA 22 -14.003 -10.496 9.195 176 HA ALA 22 HA ALA 22 -11.851 -11.835 10.656 177 HB1 ALA 22 1HB ALA 22 -13.267 -9.300 11.603 178 HB2 ALA 22 2HB ALA 22 -12.186 -10.331 12.549 179 HB3 ALA 22 3HB ALA 22 -11.537 -9.424 11.171 180 H GLN 23 H GLN 23 -12.816 -13.525 11.587 181 HA GLN 23 HA GLN 23 -15.555 -13.514 12.581 182 HB2 GLN 23 2HB GLN 23 -14.597 -15.399 10.369 183 HB3 GLN 23 3HB GLN 23 -16.079 -15.602 11.290 184 HG2 GLN 23 2HG GLN 23 -16.833 -13.339 10.417 185 HG3 GLN 23 3HG GLN 23 -15.460 -13.407 9.307 186 HE21 GLN 23 1HE2 GLN 23 -15.496 -14.908 7.581 187 HE22 GLN 23 2HE2 GLN 23 -16.928 -15.833 7.146 188 H GLY 24 H GLY 24 -15.609 -16.297 13.099 189 HA2 GLY 24 2HA GLY 24 -14.708 -17.954 14.355 190 HA3 GLY 24 3HA GLY 24 -13.101 -17.262 14.110 191 H ALA 25 H ALA 25 -13.602 -18.384 16.415 192 HA ALA 25 HA ALA 25 -14.630 -16.639 18.448 193 HB1 ALA 25 1HB ALA 25 -14.658 -19.095 18.703 194 HB2 ALA 25 2HB ALA 25 -12.882 -19.136 18.647 195 HB3 ALA 25 3HB ALA 25 -13.712 -18.342 19.999 196 H GLY 26 H GLY 26 -13.474 -15.401 19.928 197 HA2 GLY 26 2HA GLY 26 -10.830 -14.431 19.035 198 HA3 GLY 26 3HA GLY 26 -11.821 -13.801 20.368 199 H GLY 27 H GLY 27 -8.917 -14.978 20.036 200 HA2 GLY 27 2HA GLY 27 -8.781 -17.277 21.760 201 HA3 GLY 27 3HA GLY 27 -7.444 -16.230 21.251 202 H GLN 28 H GLN 28 -6.547 -16.277 23.389 203 HA GLN 28 HA GLN 28 -7.903 -15.716 25.765 204 HB2 GLN 28 2HB GLN 28 -5.484 -16.535 25.438 205 HB3 GLN 28 3HB GLN 28 -5.037 -14.831 25.263 206 HG2 GLN 28 2HG GLN 28 -6.182 -14.402 27.501 207 HG3 GLN 28 3HG GLN 28 -6.424 -16.140 27.647 208 HE21 GLN 28 1HE2 GLN 28 -4.289 -13.584 28.358 209 HE22 GLN 28 2HE2 GLN 28 -2.899 -14.567 28.807 210 H HIS 29 H HIS 29 -6.257 -13.378 23.528 211 HA HIS 29 HA HIS 29 -8.136 -11.300 24.254 212 HB2 HIS 29 2HB HIS 29 -6.484 -11.107 26.051 213 HB3 HIS 29 3HB HIS 29 -5.156 -10.996 24.875 214 HD1 HIS 29 1HD HIS 29 -5.251 -8.646 23.320 215 HD2 HIS 29 2HD HIS 29 -7.848 -8.997 26.639 216 HE1 HIS 29 1HE HIS 29 -6.285 -6.357 23.664 217 H VAL 30 H VAL 30 -8.495 -10.198 22.405 218 HA VAL 30 HA VAL 30 -6.614 -9.435 20.462 219 HB VAL 30 HB VAL 30 -6.438 -11.729 19.772 220 HG11 VAL 30 1HG1 VAL 30 -8.286 -13.152 19.079 221 HG12 VAL 30 2HG1 VAL 30 -8.448 -12.728 20.786 222 HG13 VAL 30 3HG1 VAL 30 -9.468 -11.931 19.570 223 HG21 VAL 30 3HG2 VAL 30 -6.572 -10.077 17.967 224 HG22 VAL 30 1HG2 VAL 30 -7.187 -11.667 17.496 225 HG23 VAL 30 2HG2 VAL 30 -8.325 -10.361 17.836 226 H ASN 31 H ASN 31 -7.584 -7.735 19.329 227 HA ASN 31 HA ASN 31 -10.566 -7.531 19.358 228 HB2 ASN 31 2HB ASN 31 -8.607 -5.231 19.747 229 HB3 ASN 31 3HB ASN 31 -10.368 -5.167 19.821 230 HD21 ASN 31 1HD2 ASN 31 -11.455 -6.110 21.693 231 HD22 ASN 31 2HD2 ASN 31 -10.597 -6.543 23.139 232 H LYS 32 H LYS 32 -11.392 -7.016 17.324 233 HA LYS 32 HA LYS 32 -9.984 -5.550 15.328 234 HB2 LYS 32 2HB LYS 32 -9.570 -7.202 13.719 235 HB3 LYS 32 3HB LYS 32 -8.818 -7.837 15.160 236 HG2 LYS 32 2HG LYS 32 -11.496 -8.711 13.984 237 HG3 LYS 32 3HG LYS 32 -9.970 -9.559 13.837 238 HD2 LYS 32 2HD LYS 32 -9.934 -9.970 16.273 239 HD3 LYS 32 3HD LYS 32 -11.527 -9.188 16.419 240 HE2 LYS 32 2HE LYS 32 -12.554 -10.787 14.954 241 HE3 LYS 32 3HE LYS 32 -10.996 -11.510 14.528 242 HZ1 LYS 32 3HZ LYS 32 -12.449 -12.659 16.253 243 HZ2 LYS 32 1HZ LYS 32 -11.873 -11.531 17.322 244 HZ3 LYS 32 2HZ LYS 32 -10.857 -12.570 16.531 245 H THR 33 H THR 33 -11.424 -5.833 13.137 246 HA THR 33 HA THR 33 -14.201 -6.525 13.781 247 HB THR 33 HB THR 33 -13.876 -4.077 14.312 248 HG1 THR 33 1HG THR 33 -15.866 -4.695 13.871 249 HG21 THR 33 3HG2 THR 33 -13.514 -3.740 11.300 250 HG22 THR 33 1HG2 THR 33 -12.261 -3.459 12.532 251 HG23 THR 33 2HG2 THR 33 -13.718 -2.456 12.499 252 H SER 34 H SER 34 -15.489 -6.625 11.694 253 HA SER 34 HA SER 34 -13.879 -7.953 9.634 254 HB2 SER 34 2HB SER 34 -16.265 -8.252 8.664 255 HB3 SER 34 3HB SER 34 -15.846 -9.073 10.161 256 HG SER 34 HG SER 34 -17.322 -6.649 9.937 257 H THR 35 H THR 35 -14.639 -7.399 7.260 258 HA THR 35 HA THR 35 -14.706 -5.976 5.558 259 HB THR 35 HB THR 35 -15.868 -3.792 7.262 260 HG1 THR 35 1HG THR 35 -17.461 -5.988 6.418 261 HG21 THR 35 3HG2 THR 35 -16.592 -4.968 4.548 262 HG22 THR 35 1HG2 THR 35 -15.626 -3.517 4.847 263 HG23 THR 35 2HG2 THR 35 -17.327 -3.537 5.330 264 H ALA 36 H ALA 36 -12.305 -6.082 7.099 265 HA ALA 36 HA ALA 36 -11.195 -3.345 7.210 266 HB1 ALA 36 1HB ALA 36 -10.707 -5.056 8.933 267 HB2 ALA 36 2HB ALA 36 -9.919 -6.077 7.711 268 HB3 ALA 36 3HB ALA 36 -9.226 -4.512 8.100 269 H ILE 37 H ILE 37 -8.797 -3.241 6.264 270 HA ILE 37 HA ILE 37 -8.788 -4.492 3.548 271 HB ILE 37 HB ILE 37 -8.313 -1.585 4.255 272 HG12 ILE 37 2HG1 ILE 37 -10.661 -2.246 3.604 273 HG13 ILE 37 3HG1 ILE 37 -9.907 -1.102 2.519 274 HG21 ILE 37 1HG2 ILE 37 -7.617 -1.409 1.763 275 HG22 ILE 37 2HG2 ILE 37 -6.423 -2.042 2.883 276 HG23 ILE 37 3HG2 ILE 37 -7.355 -3.133 1.826 277 HD11 ILE 37 3HD1 ILE 37 -9.432 -2.916 0.879 278 HD12 ILE 37 1HD1 ILE 37 -10.216 -4.074 1.976 279 HD13 ILE 37 2HD1 ILE 37 -11.130 -2.756 1.247 280 H HIS 38 H HIS 38 -6.923 -5.045 2.736 281 HA HIS 38 HA HIS 38 -4.557 -5.135 4.517 282 HB2 HIS 38 2HB HIS 38 -5.650 -7.366 4.073 283 HB3 HIS 38 3HB HIS 38 -5.463 -7.087 2.340 284 HD1 HIS 38 1HD HIS 38 -2.754 -6.755 1.542 285 HD2 HIS 38 2HD HIS 38 -3.542 -8.250 5.397 286 HE1 HIS 38 1HE HIS 38 -0.545 -7.541 2.519 287 H LEU 39 H LEU 39 -2.904 -4.030 3.636 288 HA LEU 39 HA LEU 39 -2.986 -3.174 0.759 289 HB2 LEU 39 2HB LEU 39 -3.329 -1.256 2.154 290 HB3 LEU 39 3HB LEU 39 -2.035 -1.706 3.255 291 HG LEU 39 HG LEU 39 -1.230 -1.334 0.387 292 HD11 LEU 39 1HD1 LEU 39 -2.749 0.544 0.593 293 HD12 LEU 39 2HD1 LEU 39 -1.091 1.139 0.635 294 HD13 LEU 39 3HD1 LEU 39 -2.019 1.025 2.139 295 HD21 LEU 39 3HD2 LEU 39 0.385 -1.770 2.387 296 HD22 LEU 39 1HD2 LEU 39 0.026 -0.100 2.873 297 HD23 LEU 39 2HD2 LEU 39 0.774 -0.431 1.309 298 H ARG 40 H ARG 40 -1.188 -3.803 -0.401 299 HA ARG 40 HA ARG 40 1.160 -4.816 1.120 300 HB2 ARG 40 2HB ARG 40 -0.385 -6.650 0.496 301 HB3 ARG 40 3HB ARG 40 -0.235 -6.215 -1.207 302 HG2 ARG 40 2HG ARG 40 1.908 -7.075 -1.364 303 HG3 ARG 40 3HG ARG 40 2.262 -6.803 0.351 304 HD2 ARG 40 2HD ARG 40 0.837 -8.635 1.044 305 HD3 ARG 40 3HD ARG 40 0.224 -8.851 -0.583 306 HE ARG 40 HE ARG 40 2.719 -9.349 -1.126 307 HH11 ARG 40 1HH1 ARG 40 0.706 -10.689 1.551 308 HH12 ARG 40 2HH1 ARG 40 1.768 -12.035 1.764 309 HH21 ARG 40 1HH2 ARG 40 4.053 -11.149 -0.739 310 HH22 ARG 40 2HH2 ARG 40 3.605 -12.359 0.442 311 H PHE 41 H PHE 41 2.934 -3.857 0.414 312 HA PHE 41 HA PHE 41 3.011 -2.528 -2.322 313 HB2 PHE 41 2HB PHE 41 2.636 -0.888 -0.638 314 HB3 PHE 41 3HB PHE 41 3.887 -1.543 0.406 315 HD1 PHE 41 2HD PHE 41 3.544 -0.302 -3.138 316 HD2 PHE 41 1HD PHE 41 6.012 -0.609 0.355 317 HE1 PHE 41 2HE PHE 41 5.280 1.143 -4.252 318 HE2 PHE 41 1HE PHE 41 7.746 0.731 -0.742 319 HZ PHE 41 HZ PHE 41 7.361 1.631 -3.051 320 H ASP 42 H ASP 42 4.285 -4.322 -3.279 321 HA ASP 42 HA ASP 42 6.459 -5.647 -1.854 322 HB2 ASP 42 2HB ASP 42 6.874 -6.644 -4.203 323 HB3 ASP 42 3HB ASP 42 5.644 -7.242 -3.164 324 H ILE 43 H ILE 43 7.989 -4.180 -1.444 325 HA ILE 43 HA ILE 43 8.924 -1.982 -2.697 326 HB ILE 43 HB ILE 43 10.538 -4.123 -1.281 327 HG12 ILE 43 2HG1 ILE 43 9.771 -1.548 0.072 328 HG13 ILE 43 3HG1 ILE 43 8.479 -2.713 -0.158 329 HG21 ILE 43 1HG2 ILE 43 12.087 -2.644 -2.473 330 HG22 ILE 43 2HG2 ILE 43 11.268 -1.210 -1.817 331 HG23 ILE 43 3HG2 ILE 43 12.163 -2.328 -0.749 332 HD11 ILE 43 3HD1 ILE 43 9.695 -2.998 2.023 333 HD12 ILE 43 1HD1 ILE 43 9.655 -4.441 1.017 334 HD13 ILE 43 2HD1 ILE 43 11.137 -3.469 1.107 335 H ARG 44 H ARG 44 10.275 -5.254 -3.325 336 HA ARG 44 HA ARG 44 12.120 -4.398 -5.323 337 HB2 ARG 44 2HB ARG 44 10.805 -7.072 -4.810 338 HB3 ARG 44 3HB ARG 44 12.068 -6.826 -6.032 339 HG2 ARG 44 2HG ARG 44 13.691 -6.182 -4.369 340 HG3 ARG 44 3HG ARG 44 12.465 -6.155 -3.098 341 HD2 ARG 44 2HD ARG 44 12.860 -8.286 -2.641 342 HD3 ARG 44 3HD ARG 44 12.274 -8.762 -4.215 343 HE ARG 44 HE ARG 44 15.076 -8.363 -3.312 344 HH11 ARG 44 1HH1 ARG 44 13.043 -9.250 -6.143 345 HH12 ARG 44 2HH1 ARG 44 14.369 -10.051 -6.922 346 HH21 ARG 44 1HH2 ARG 44 16.553 -9.626 -4.163 347 HH22 ARG 44 2HH2 ARG 44 16.487 -10.301 -5.761 348 H ALA 45 H ALA 45 8.620 -5.025 -5.606 349 HA ALA 45 HA ALA 45 8.739 -5.079 -8.520 350 HB1 ALA 45 1HB ALA 45 6.403 -5.080 -6.576 351 HB2 ALA 45 2HB ALA 45 6.362 -5.521 -8.281 352 HB3 ALA 45 3HB ALA 45 7.238 -6.546 -7.111 353 H SER 46 H SER 46 8.869 -2.532 -6.229 354 HA SER 46 HA SER 46 7.067 -0.837 -7.837 355 HB2 SER 46 2HB SER 46 7.248 0.787 -6.072 356 HB3 SER 46 3HB SER 46 6.850 -0.783 -5.418 357 HG SER 46 HG SER 46 9.132 -1.009 -4.901 358 H SER 47 H SER 47 7.740 1.406 -8.265 359 HA SER 47 HA SER 47 10.341 1.383 -9.554 360 HB2 SER 47 2HB SER 47 8.039 2.492 -10.333 361 HB3 SER 47 3HB SER 47 8.755 3.905 -9.533 362 HG SER 47 HG SER 47 9.628 4.026 -11.489 363 H LEU 48 H LEU 48 9.864 1.802 -6.367 364 HA LEU 48 HA LEU 48 10.957 4.211 -5.573 365 HB2 LEU 48 2HB LEU 48 11.278 1.351 -4.543 366 HB3 LEU 48 3HB LEU 48 12.049 2.676 -3.700 367 HG LEU 48 HG LEU 48 9.062 2.402 -4.143 368 HD11 LEU 48 1HD1 LEU 48 9.786 0.786 -2.536 369 HD12 LEU 48 2HD1 LEU 48 9.231 2.157 -1.551 370 HD13 LEU 48 3HD1 LEU 48 10.957 1.913 -1.797 371 HD21 LEU 48 3HD2 LEU 48 8.825 4.286 -2.617 372 HD22 LEU 48 1HD2 LEU 48 9.701 4.769 -4.049 373 HD23 LEU 48 2HD2 LEU 48 10.605 4.481 -2.546 374 HA PRO 49 HA PRO 49 15.194 4.311 -6.763 375 HB2 PRO 49 2HB PRO 49 16.447 5.586 -4.701 376 HB3 PRO 49 3HB PRO 49 15.316 6.420 -5.809 377 HG2 PRO 49 2HG PRO 49 14.728 5.294 -3.092 378 HG3 PRO 49 3HG PRO 49 14.307 6.918 -3.721 379 HD2 PRO 49 2HD PRO 49 12.519 4.875 -3.717 380 HD3 PRO 49 3HD PRO 49 12.571 6.025 -5.076 381 H GLU 50 H GLU 50 17.070 3.156 -6.474 382 HA GLU 50 HA GLU 50 17.026 0.650 -5.305 383 HB2 GLU 50 2HB GLU 50 19.392 0.568 -5.820 384 HB3 GLU 50 3HB GLU 50 18.518 1.355 -7.128 385 HG2 GLU 50 2HG GLU 50 20.224 2.680 -4.992 386 HG3 GLU 50 3HG GLU 50 20.621 2.504 -6.705 387 H TYR 51 H TYR 51 18.364 3.679 -3.929 388 HA TYR 51 HA TYR 51 19.521 2.722 -1.594 389 HB2 TYR 51 2HB TYR 51 19.565 5.043 -2.444 390 HB3 TYR 51 3HB TYR 51 17.867 5.249 -2.055 391 HD1 TYR 51 2HD TYR 51 17.187 5.010 0.530 392 HD2 TYR 51 1HD TYR 51 21.189 5.648 -0.948 393 HE1 TYR 51 2HE TYR 51 17.853 5.827 2.759 394 HE2 TYR 51 1HE TYR 51 21.828 6.574 1.260 395 HH TYR 51 HH TYR 51 19.757 6.367 4.171 396 H TYR 52 H TYR 52 16.114 3.747 -2.096 397 HA TYR 52 HA TYR 52 15.335 3.018 0.584 398 HB2 TYR 52 2HB TYR 52 13.745 3.552 -1.973 399 HB3 TYR 52 3HB TYR 52 12.976 2.932 -0.540 400 HD1 TYR 52 2HD TYR 52 15.565 5.736 -0.963 401 HD2 TYR 52 1HD TYR 52 11.647 4.506 0.374 402 HE1 TYR 52 2HE TYR 52 15.124 8.004 -0.188 403 HE2 TYR 52 1HE TYR 52 11.179 6.796 1.113 404 HH TYR 52 HH TYR 52 13.658 9.315 1.136 405 H LYS 53 H LYS 53 15.440 1.198 -2.552 406 HA LYS 53 HA LYS 53 13.888 -0.973 -1.535 407 HB2 LYS 53 2HB LYS 53 16.125 -1.079 -3.620 408 HB3 LYS 53 3HB LYS 53 15.051 -2.398 -3.201 409 HG2 LYS 53 2HG LYS 53 13.137 -0.663 -3.779 410 HG3 LYS 53 3HG LYS 53 14.409 0.170 -4.667 411 HD2 LYS 53 2HD LYS 53 14.796 -1.804 -6.061 412 HD3 LYS 53 3HD LYS 53 13.662 -2.764 -5.089 413 HE2 LYS 53 2HE LYS 53 11.792 -1.290 -5.735 414 HE3 LYS 53 3HE LYS 53 12.884 -0.235 -6.593 415 HZ1 LYS 53 3HZ LYS 53 12.115 -2.987 -7.404 416 HZ2 LYS 53 1HZ LYS 53 13.327 -2.156 -8.125 417 HZ3 LYS 53 2HZ LYS 53 11.806 -1.581 -8.153 418 H GLU 54 H GLU 54 17.439 -0.427 -1.464 419 HA GLU 54 HA GLU 54 18.029 -2.739 0.036 420 HB2 GLU 54 2HB GLU 54 19.469 -0.059 0.229 421 HB3 GLU 54 3HB GLU 54 20.080 -1.607 0.744 422 HG2 GLU 54 2HG GLU 54 19.661 -2.453 -1.623 423 HG3 GLU 54 3HG GLU 54 19.509 -0.774 -2.122 424 H ARG 55 H ARG 55 17.117 0.505 1.194 425 HA ARG 55 HA ARG 55 17.517 -0.042 4.014 426 HB2 ARG 55 2HB ARG 55 16.115 2.099 2.438 427 HB3 ARG 55 3HB ARG 55 15.569 1.823 4.078 428 HG2 ARG 55 2HG ARG 55 17.205 3.656 3.978 429 HG3 ARG 55 3HG ARG 55 17.747 2.317 5.009 430 HD2 ARG 55 2HD ARG 55 19.058 1.467 3.165 431 HD3 ARG 55 3HD ARG 55 18.571 2.783 2.124 432 HE ARG 55 HE ARG 55 20.158 4.093 2.909 433 HH11 ARG 55 1HH1 ARG 55 19.925 1.581 5.474 434 HH12 ARG 55 2HH1 ARG 55 21.048 2.408 6.486 435 HH21 ARG 55 1HH2 ARG 55 21.836 4.992 4.171 436 HH22 ARG 55 2HH2 ARG 55 22.269 4.266 5.658 437 H LEU 56 H LEU 56 14.508 -0.010 2.104 438 HA LEU 56 HA LEU 56 12.923 -1.073 4.207 439 HB2 LEU 56 2HB LEU 56 12.490 -1.209 1.211 440 HB3 LEU 56 3HB LEU 56 11.256 -1.453 2.453 441 HG LEU 56 HG LEU 56 12.759 1.169 1.991 442 HD11 LEU 56 1HD1 LEU 56 9.894 0.474 1.292 443 HD12 LEU 56 2HD1 LEU 56 11.255 0.588 0.147 444 HD13 LEU 56 3HD1 LEU 56 10.729 2.026 1.036 445 HD21 LEU 56 3HD2 LEU 56 11.034 2.141 3.437 446 HD22 LEU 56 1HD2 LEU 56 12.201 1.082 4.246 447 HD23 LEU 56 2HD2 LEU 56 10.544 0.491 3.910 448 H LEU 57 H LEU 57 14.998 -2.762 1.864 449 HA LEU 57 HA LEU 57 13.807 -5.362 2.430 450 HB2 LEU 57 2HB LEU 57 16.252 -4.378 0.935 451 HB3 LEU 57 3HB LEU 57 16.122 -6.074 1.345 452 HG LEU 57 HG LEU 57 13.807 -4.736 -0.083 453 HD11 LEU 57 1HD1 LEU 57 15.811 -4.270 -1.434 454 HD12 LEU 57 2HD1 LEU 57 14.787 -5.469 -2.228 455 HD13 LEU 57 3HD1 LEU 57 16.260 -5.984 -1.379 456 HD21 LEU 57 3HD2 LEU 57 14.915 -7.591 -0.022 457 HD22 LEU 57 1HD2 LEU 57 13.467 -7.051 -0.885 458 HD23 LEU 57 2HD2 LEU 57 13.505 -7.018 0.884 459 H ALA 58 H ALA 58 16.531 -3.453 3.650 460 HA ALA 58 HA ALA 58 17.599 -5.646 5.263 461 HB1 ALA 58 1HB ALA 58 18.279 -2.679 5.037 462 HB2 ALA 58 2HB ALA 58 19.237 -3.911 5.888 463 HB3 ALA 58 3HB ALA 58 19.047 -3.986 4.130 464 H ALA 59 H ALA 59 15.180 -3.172 5.634 465 HA ALA 59 HA ALA 59 15.486 -2.684 8.399 466 HB1 ALA 59 1HB ALA 59 13.045 -2.282 6.655 467 HB2 ALA 59 2HB ALA 59 13.424 -1.566 8.247 468 HB3 ALA 59 3HB ALA 59 14.403 -1.128 6.854 469 H SER 60 H SER 60 15.108 -3.984 10.015 470 HA SER 60 HA SER 60 13.407 -6.329 9.811 471 HB2 SER 60 2HB SER 60 15.557 -6.156 11.114 472 HB3 SER 60 3HB SER 60 14.698 -5.089 12.244 473 HG SER 60 HG SER 60 14.638 -7.334 12.912 474 H HIS 61 H HIS 61 11.294 -5.644 9.517 475 HA HIS 61 HA HIS 61 10.044 -4.216 11.814 476 HB2 HIS 61 2HB HIS 61 10.231 -2.904 9.492 477 HB3 HIS 61 3HB HIS 61 8.991 -4.010 8.997 478 HD1 HIS 61 1HD HIS 61 7.768 -3.563 12.331 479 HD2 HIS 61 2HD HIS 61 8.434 -0.940 9.105 480 HE1 HIS 61 1HE HIS 61 6.142 -1.659 12.615 481 H HIS 62 H HIS 62 8.383 -5.469 12.644 482 HA HIS 62 HA HIS 62 7.901 -8.084 11.726 483 HB2 HIS 62 2HB HIS 62 6.391 -8.230 13.506 484 HB3 HIS 62 3HB HIS 62 7.619 -7.119 14.048 485 HD1 HIS 62 1HD HIS 62 6.746 -4.518 14.369 486 HD2 HIS 62 2HD HIS 62 3.911 -7.422 13.234 487 HE1 HIS 62 1HE HIS 62 4.423 -3.454 14.699 488 H LEU 63 H LEU 63 6.918 -5.347 10.205 489 HA LEU 63 HA LEU 63 4.388 -6.401 9.056 490 HB2 LEU 63 2HB LEU 63 5.539 -3.588 9.280 491 HB3 LEU 63 3HB LEU 63 4.124 -3.995 8.309 492 HG LEU 63 HG LEU 63 4.352 -4.231 11.330 493 HD11 LEU 63 1HD1 LEU 63 2.728 -2.376 11.338 494 HD12 LEU 63 2HD1 LEU 63 2.772 -2.327 9.549 495 HD13 LEU 63 3HD1 LEU 63 4.215 -1.911 10.501 496 HD21 LEU 63 3HD2 LEU 63 1.892 -4.660 11.272 497 HD22 LEU 63 1HD2 LEU 63 2.816 -5.957 10.516 498 HD23 LEU 63 2HD2 LEU 63 1.969 -4.773 9.494 499 H ILE 64 H ILE 64 7.778 -6.135 8.353 500 HA ILE 64 HA ILE 64 7.207 -6.150 5.449 501 HB ILE 64 HB ILE 64 9.680 -5.246 6.978 502 HG12 ILE 64 2HG1 ILE 64 7.593 -3.587 5.521 503 HG13 ILE 64 3HG1 ILE 64 7.743 -3.664 7.253 504 HG21 ILE 64 1HG2 ILE 64 10.536 -4.469 4.821 505 HG22 ILE 64 2HG2 ILE 64 10.195 -6.168 4.725 506 HG23 ILE 64 3HG2 ILE 64 9.062 -5.012 3.991 507 HD11 ILE 64 3HD1 ILE 64 9.770 -2.501 5.336 508 HD12 ILE 64 1HD1 ILE 64 8.813 -1.720 6.617 509 HD13 ILE 64 2HD1 ILE 64 10.110 -2.873 7.046 510 H SER 65 H SER 65 8.079 -7.777 4.299 511 HA SER 65 HA SER 65 9.447 -10.019 5.747 512 HB2 SER 65 2HB SER 65 7.908 -9.805 3.121 513 HB3 SER 65 3HB SER 65 8.860 -11.215 3.548 514 HG SER 65 HG SER 65 7.472 -10.979 5.643 515 H SER 66 H SER 66 11.403 -10.922 4.893 516 HA SER 66 HA SER 66 13.248 -9.149 3.736 517 HB2 SER 66 2HB SER 66 13.448 -12.168 3.606 518 HB3 SER 66 3HB SER 66 14.728 -10.982 3.866 519 HG SER 66 HG SER 66 13.700 -10.525 5.938 520 H ASP 67 H ASP 67 10.777 -10.945 2.265 521 HA ASP 67 HA ASP 67 11.863 -11.641 -0.295 522 HB2 ASP 67 2HB ASP 67 8.984 -10.910 0.368 523 HB3 ASP 67 3HB ASP 67 9.539 -11.901 -0.974 524 H GLY 68 H GLY 68 10.941 -8.628 1.181 525 HA2 GLY 68 2HA GLY 68 11.389 -6.538 0.222 526 HA3 GLY 68 3HA GLY 68 11.224 -7.219 -1.399 527 H VAL 69 H VAL 69 9.002 -7.295 1.533 528 HA VAL 69 HA VAL 69 7.154 -5.619 0.022 529 HB VAL 69 HB VAL 69 6.674 -7.836 -0.874 530 HG11 VAL 69 1HG1 VAL 69 5.763 -9.642 0.550 531 HG12 VAL 69 2HG1 VAL 69 7.451 -9.285 0.905 532 HG13 VAL 69 3HG1 VAL 69 6.160 -8.711 1.995 533 HG21 VAL 69 3HG2 VAL 69 4.334 -7.942 -0.545 534 HG22 VAL 69 1HG2 VAL 69 4.430 -7.133 1.038 535 HG23 VAL 69 2HG2 VAL 69 4.762 -6.239 -0.458 536 H ILE 70 H ILE 70 5.755 -4.503 1.201 537 HA ILE 70 HA ILE 70 5.931 -4.650 4.167 538 HB ILE 70 HB ILE 70 5.096 -2.312 2.372 539 HG12 ILE 70 2HG1 ILE 70 7.831 -2.987 3.461 540 HG13 ILE 70 3HG1 ILE 70 7.339 -2.591 1.826 541 HG21 ILE 70 1HG2 ILE 70 5.781 -2.377 5.333 542 HG22 ILE 70 2HG2 ILE 70 5.299 -0.945 4.409 543 HG23 ILE 70 3HG2 ILE 70 4.152 -2.252 4.656 544 HD11 ILE 70 3HD1 ILE 70 7.564 -0.641 4.151 545 HD12 ILE 70 1HD1 ILE 70 8.607 -0.766 2.731 546 HD13 ILE 70 2HD1 ILE 70 6.927 -0.231 2.539 547 H VAL 71 H VAL 71 3.955 -5.114 5.220 548 HA VAL 71 HA VAL 71 1.491 -4.905 3.591 549 HB VAL 71 HB VAL 71 0.618 -6.881 4.785 550 HG11 VAL 71 1HG1 VAL 71 3.050 -7.501 3.058 551 HG12 VAL 71 2HG1 VAL 71 1.575 -8.480 3.275 552 HG13 VAL 71 3HG1 VAL 71 1.491 -6.908 2.456 553 HG21 VAL 71 3HG2 VAL 71 3.508 -7.507 5.433 554 HG22 VAL 71 1HG2 VAL 71 2.272 -7.011 6.629 555 HG23 VAL 71 2HG2 VAL 71 2.071 -8.524 5.731 556 H ILE 72 H ILE 72 -0.344 -4.219 4.648 557 HA ILE 72 HA ILE 72 -0.097 -3.383 7.480 558 HB ILE 72 HB ILE 72 -0.889 -1.573 5.158 559 HG12 ILE 72 2HG1 ILE 72 1.588 -1.516 6.942 560 HG13 ILE 72 3HG1 ILE 72 1.527 -1.906 5.220 561 HG21 ILE 72 1HG2 ILE 72 -0.715 -0.865 8.118 562 HG22 ILE 72 2HG2 ILE 72 -1.132 0.234 6.792 563 HG23 ILE 72 3HG2 ILE 72 -2.219 -1.078 7.198 564 HD11 ILE 72 3HD1 ILE 72 2.260 0.177 5.093 565 HD12 ILE 72 1HD1 ILE 72 0.521 0.452 4.917 566 HD13 ILE 72 2HD1 ILE 72 1.301 0.758 6.490 567 H LYS 73 H LYS 73 -2.093 -3.540 8.515 568 HA LYS 73 HA LYS 73 -4.442 -4.382 6.871 569 HB2 LYS 73 2HB LYS 73 -3.698 -5.474 9.617 570 HB3 LYS 73 3HB LYS 73 -5.031 -5.980 8.565 571 HG2 LYS 73 2HG LYS 73 -3.303 -6.640 6.827 572 HG3 LYS 73 3HG LYS 73 -2.036 -6.277 8.002 573 HD2 LYS 73 2HD LYS 73 -3.041 -7.980 9.543 574 HD3 LYS 73 3HD LYS 73 -4.111 -8.483 8.206 575 HE2 LYS 73 2HE LYS 73 -2.162 -9.017 6.808 576 HE3 LYS 73 3HE LYS 73 -1.068 -8.308 7.990 577 HZ1 LYS 73 3HZ LYS 73 -2.277 -10.194 9.470 578 HZ2 LYS 73 1HZ LYS 73 -0.881 -10.427 8.656 579 HZ3 LYS 73 2HZ LYS 73 -2.300 -10.907 7.993 580 H ALA 74 H ALA 74 -5.434 -2.428 6.855 581 HA ALA 74 HA ALA 74 -5.564 -0.763 9.295 582 HB1 ALA 74 1HB ALA 74 -6.750 0.800 7.641 583 HB2 ALA 74 2HB ALA 74 -5.061 0.437 7.267 584 HB3 ALA 74 3HB ALA 74 -6.375 -0.387 6.387 585 H GLN 75 H GLN 75 -7.292 -0.773 10.620 586 HA GLN 75 HA GLN 75 -9.937 -1.488 9.657 587 HB2 GLN 75 2HB GLN 75 -10.045 -3.227 11.681 588 HB3 GLN 75 3HB GLN 75 -9.686 -3.610 10.045 589 HG2 GLN 75 2HG GLN 75 -7.138 -3.433 10.811 590 HG3 GLN 75 3HG GLN 75 -7.823 -3.723 12.398 591 HE21 GLN 75 1HE2 GLN 75 -6.214 -5.223 10.231 592 HE22 GLN 75 2HE2 GLN 75 -6.964 -6.810 10.092 593 H GLU 76 H GLU 76 -11.015 0.077 10.387 594 HA GLU 76 HA GLU 76 -11.386 0.605 13.240 595 HB2 GLU 76 2HB GLU 76 -10.659 2.889 11.346 596 HB3 GLU 76 3HB GLU 76 -11.193 3.036 13.006 597 HG2 GLU 76 2HG GLU 76 -9.131 1.716 13.697 598 HG3 GLU 76 3HG GLU 76 -8.572 1.919 12.017 599 H TYR 77 H TYR 77 -12.129 1.387 9.776 600 HA TYR 77 HA TYR 77 -14.806 2.338 10.459 601 HB2 TYR 77 2HB TYR 77 -13.472 1.813 7.780 602 HB3 TYR 77 3HB TYR 77 -14.986 2.658 8.032 603 HD1 TYR 77 1HD TYR 77 -11.307 2.873 8.363 604 HD2 TYR 77 2HD TYR 77 -15.048 4.979 8.862 605 HE1 TYR 77 1HE TYR 77 -10.075 4.966 8.529 606 HE2 TYR 77 2HE TYR 77 -13.827 7.112 8.913 607 HH TYR 77 HH TYR 77 -10.266 7.367 8.629 608 H ARG 78 H ARG 78 -16.708 1.427 9.539 609 HA ARG 78 HA ARG 78 -16.672 -1.504 9.404 610 HB2 ARG 78 2HB ARG 78 -19.081 -1.354 9.642 611 HB3 ARG 78 3HB ARG 78 -18.272 -0.354 10.822 612 HG2 ARG 78 2HG ARG 78 -19.903 1.083 10.245 613 HG3 ARG 78 3HG ARG 78 -18.711 1.603 9.059 614 HD2 ARG 78 2HD ARG 78 -19.813 0.218 7.340 615 HD3 ARG 78 3HD ARG 78 -20.960 -0.397 8.552 616 HE ARG 78 HE ARG 78 -21.374 2.221 8.828 617 HH11 ARG 78 1HH1 ARG 78 -21.516 0.099 6.054 618 HH12 ARG 78 2HH1 ARG 78 -22.466 1.178 5.066 619 HH21 ARG 78 1HH2 ARG 78 -22.729 3.550 7.685 620 HH22 ARG 78 2HH2 ARG 78 -22.993 3.353 5.961 621 H SER 79 H SER 79 -16.353 0.964 7.117 622 HA SER 79 HA SER 79 -17.643 -0.558 4.922 623 HB2 SER 79 2HB SER 79 -16.593 2.296 5.064 624 HB3 SER 79 3HB SER 79 -17.473 1.573 3.706 625 HG SER 79 HG SER 79 -18.747 2.852 5.138 626 H GLN 80 H GLN 80 -16.359 -1.583 3.455 627 HA GLN 80 HA GLN 80 -13.581 -1.822 3.888 628 HB2 GLN 80 2HB GLN 80 -15.497 -3.300 2.620 629 HB3 GLN 80 3HB GLN 80 -14.749 -2.582 1.219 630 HG2 GLN 80 2HG GLN 80 -12.974 -3.979 1.345 631 HG3 GLN 80 3HG GLN 80 -12.691 -3.581 3.033 632 HE21 GLN 80 1HE2 GLN 80 -12.335 -5.514 3.974 633 HE22 GLN 80 2HE2 GLN 80 -13.357 -6.917 3.907 634 H GLU 81 H GLU 81 -15.174 0.725 2.311 635 HA GLU 81 HA GLU 81 -13.096 1.397 0.375 636 HB2 GLU 81 2HB GLU 81 -15.591 1.662 0.075 637 HB3 GLU 81 3HB GLU 81 -15.554 2.984 1.231 638 HG2 GLU 81 2HG GLU 81 -14.106 4.297 -0.215 639 HG3 GLU 81 3HG GLU 81 -13.823 2.916 -1.286 640 H LEU 82 H LEU 82 -13.769 2.129 3.694 641 HA LEU 82 HA LEU 82 -12.221 4.697 3.567 642 HB2 LEU 82 2HB LEU 82 -13.658 3.418 5.902 643 HB3 LEU 82 3HB LEU 82 -12.977 5.054 5.822 644 HG LEU 82 HG LEU 82 -15.331 3.964 4.208 645 HD11 LEU 82 1HD1 LEU 82 -15.239 6.021 6.433 646 HD12 LEU 82 2HD1 LEU 82 -15.894 4.371 6.536 647 HD13 LEU 82 3HD1 LEU 82 -16.675 5.568 5.493 648 HD21 LEU 82 3HD2 LEU 82 -14.083 6.728 4.172 649 HD22 LEU 82 1HD2 LEU 82 -15.634 6.270 3.419 650 HD23 LEU 82 2HD2 LEU 82 -14.126 5.582 2.823 651 H ASN 83 H ASN 83 -12.092 1.475 4.885 652 HA ASN 83 HA ASN 83 -9.754 1.860 6.537 653 HB2 ASN 83 2HB ASN 83 -10.917 -0.662 5.279 654 HB3 ASN 83 3HB ASN 83 -9.494 -0.655 6.322 655 HD21 ASN 83 1HD2 ASN 83 -12.762 -1.387 6.536 656 HD22 ASN 83 2HD2 ASN 83 -12.989 -0.880 8.171 657 H ARG 84 H ARG 84 -10.161 1.447 3.083 658 HA ARG 84 HA ARG 84 -7.482 0.547 2.519 659 HB2 ARG 84 2HB ARG 84 -7.959 1.492 0.175 660 HB3 ARG 84 3HB ARG 84 -8.827 0.069 0.710 661 HG2 ARG 84 2HG ARG 84 -10.850 1.151 1.021 662 HG3 ARG 84 3HG ARG 84 -10.099 2.724 1.220 663 HD2 ARG 84 2HD ARG 84 -11.103 2.906 -0.797 664 HD3 ARG 84 3HD ARG 84 -9.398 2.574 -1.211 665 HE ARG 84 HE ARG 84 -10.881 0.122 -1.147 666 HH11 ARG 84 1HH1 ARG 84 -10.871 3.068 -3.187 667 HH12 ARG 84 2HH1 ARG 84 -11.445 2.226 -4.576 668 HH21 ARG 84 1HH2 ARG 84 -11.599 -0.961 -2.991 669 HH22 ARG 84 2HH2 ARG 84 -12.048 -0.042 -4.393 670 H GLU 85 H GLU 85 -8.965 3.857 2.502 671 HA GLU 85 HA GLU 85 -6.405 4.947 1.854 672 HB2 GLU 85 2HB GLU 85 -7.322 7.067 2.120 673 HB3 GLU 85 3HB GLU 85 -8.403 6.041 1.170 674 HG2 GLU 85 2HG GLU 85 -9.990 5.874 2.950 675 HG3 GLU 85 3HG GLU 85 -8.872 6.691 4.062 676 H ALA 86 H ALA 86 -7.706 3.902 4.840 677 HA ALA 86 HA ALA 86 -6.033 5.591 6.469 678 HB1 ALA 86 1HB ALA 86 -8.098 4.571 7.307 679 HB2 ALA 86 2HB ALA 86 -7.400 2.948 7.108 680 HB3 ALA 86 3HB ALA 86 -6.710 4.078 8.294 681 H ALA 87 H ALA 87 -5.515 2.599 4.721 682 HA ALA 87 HA ALA 87 -3.224 1.692 6.247 683 HB1 ALA 87 1HB ALA 87 -4.678 0.174 4.863 684 HB2 ALA 87 2HB ALA 87 -4.033 0.956 3.414 685 HB3 ALA 87 3HB ALA 87 -2.949 0.055 4.488 686 H LEU 88 H LEU 88 -3.626 3.565 3.202 687 HA LEU 88 HA LEU 88 -0.879 3.613 2.486 688 HB2 LEU 88 2HB LEU 88 -1.427 5.164 0.862 689 HB3 LEU 88 3HB LEU 88 -2.904 4.266 1.119 690 HG LEU 88 HG LEU 88 -3.391 6.310 2.819 691 HD11 LEU 88 1HD1 LEU 88 -1.666 7.586 0.667 692 HD12 LEU 88 2HD1 LEU 88 -1.276 7.524 2.393 693 HD13 LEU 88 3HD1 LEU 88 -2.684 8.443 1.846 694 HD21 LEU 88 3HD2 LEU 88 -4.732 5.546 0.806 695 HD22 LEU 88 1HD2 LEU 88 -3.797 6.689 -0.163 696 HD23 LEU 88 2HD2 LEU 88 -4.821 7.265 1.199 697 H ALA 89 H ALA 89 -2.638 5.615 4.816 698 HA ALA 89 HA ALA 89 -0.577 7.582 5.169 699 HB1 ALA 89 1HB ALA 89 -2.836 7.912 6.022 700 HB2 ALA 89 2HB ALA 89 -2.651 6.531 7.141 701 HB3 ALA 89 3HB ALA 89 -1.663 7.997 7.350 702 H ARG 90 H ARG 90 -1.210 4.486 6.778 703 HA ARG 90 HA ARG 90 0.933 4.583 8.679 704 HB2 ARG 90 2HB ARG 90 -0.622 2.272 7.443 705 HB3 ARG 90 3HB ARG 90 0.530 2.074 8.766 706 HG2 ARG 90 2HG ARG 90 -0.774 3.472 10.223 707 HG3 ARG 90 3HG ARG 90 -1.848 3.970 8.908 708 HD2 ARG 90 2HD ARG 90 -2.830 1.786 8.736 709 HD3 ARG 90 3HD ARG 90 -1.610 1.099 9.820 710 HE ARG 90 HE ARG 90 -2.844 1.770 11.620 711 HH11 ARG 90 1HH1 ARG 90 -3.958 3.911 8.913 712 HH12 ARG 90 2HH1 ARG 90 -5.125 4.659 9.957 713 HH21 ARG 90 1HH2 ARG 90 -4.593 2.794 12.836 714 HH22 ARG 90 2HH2 ARG 90 -5.477 4.033 12.060 715 H LEU 91 H LEU 91 0.706 3.400 5.324 716 HA LEU 91 HA LEU 91 3.269 2.166 5.200 717 HB2 LEU 91 2HB LEU 91 1.573 1.852 3.413 718 HB3 LEU 91 3HB LEU 91 1.652 3.557 3.013 719 HG LEU 91 HG LEU 91 3.973 3.336 2.273 720 HD11 LEU 91 1HD1 LEU 91 4.942 1.049 1.937 721 HD12 LEU 91 2HD1 LEU 91 3.617 0.369 2.902 722 HD13 LEU 91 3HD1 LEU 91 4.795 1.484 3.640 723 HD21 LEU 91 3HD2 LEU 91 2.123 1.324 0.977 724 HD22 LEU 91 1HD2 LEU 91 3.535 2.086 0.224 725 HD23 LEU 91 2HD2 LEU 91 2.134 3.073 0.681 726 H VAL 92 H VAL 92 2.246 5.461 4.360 727 HA VAL 92 HA VAL 92 4.802 6.486 3.708 728 HB VAL 92 HB VAL 92 2.440 7.901 5.012 729 HG11 VAL 92 1HG1 VAL 92 3.365 9.995 3.976 730 HG12 VAL 92 2HG1 VAL 92 4.332 9.364 5.308 731 HG13 VAL 92 3HG1 VAL 92 4.864 9.106 3.630 732 HG21 VAL 92 3HG2 VAL 92 1.733 8.564 2.845 733 HG22 VAL 92 1HG2 VAL 92 3.240 7.985 2.115 734 HG23 VAL 92 2HG2 VAL 92 2.041 6.830 2.728 735 H ALA 93 H ALA 93 3.215 6.148 6.863 736 HA ALA 93 HA ALA 93 5.019 7.671 8.432 737 HB1 ALA 93 1HB ALA 93 2.719 7.065 9.127 738 HB2 ALA 93 2HB ALA 93 3.235 5.366 9.306 739 HB3 ALA 93 3HB ALA 93 3.938 6.616 10.334 740 H MET 94 H MET 94 4.794 4.093 8.070 741 HA MET 94 HA MET 94 7.165 3.588 9.651 742 HB2 MET 94 2HB MET 94 7.043 1.317 8.733 743 HB3 MET 94 3HB MET 94 5.467 1.875 9.294 744 HG2 MET 94 2HG MET 94 5.011 2.539 6.860 745 HG3 MET 94 3HG MET 94 6.422 1.625 6.427 746 HE1 MET 94 3HE MET 94 6.591 -0.978 7.337 747 HE2 MET 94 1HE MET 94 5.635 -0.881 8.840 748 HE3 MET 94 2HE MET 94 5.153 -2.006 7.559 749 H ILE 95 H ILE 95 6.691 4.241 6.119 750 HA ILE 95 HA ILE 95 9.325 3.524 5.359 751 HB ILE 95 HB ILE 95 7.306 5.509 4.289 752 HG12 ILE 95 2HG1 ILE 95 8.490 2.992 3.015 753 HG13 ILE 95 3HG1 ILE 95 7.098 2.921 4.090 754 HG21 ILE 95 1HG2 ILE 95 9.527 6.464 3.711 755 HG22 ILE 95 2HG2 ILE 95 10.053 4.888 3.077 756 HG23 ILE 95 3HG2 ILE 95 8.761 5.804 2.286 757 HD11 ILE 95 3HD1 ILE 95 7.227 4.524 1.510 758 HD12 ILE 95 1HD1 ILE 95 6.380 2.993 1.757 759 HD13 ILE 95 2HD1 ILE 95 5.853 4.473 2.608 760 H LYS 96 H LYS 96 7.997 6.589 6.706 761 HA LYS 96 HA LYS 96 10.511 7.995 6.609 762 HB2 LYS 96 2HB LYS 96 7.905 8.487 8.078 763 HB3 LYS 96 3HB LYS 96 9.255 9.626 8.085 764 HG2 LYS 96 2HG LYS 96 9.123 10.012 5.729 765 HG3 LYS 96 3HG LYS 96 7.903 8.739 5.508 766 HD2 LYS 96 2HD LYS 96 6.349 9.931 6.989 767 HD3 LYS 96 3HD LYS 96 7.558 11.203 7.267 768 HE2 LYS 96 2HE LYS 96 7.526 11.677 4.794 769 HE3 LYS 96 3HE LYS 96 6.206 10.502 4.630 770 HZ1 LYS 96 3HZ LYS 96 6.182 12.968 6.246 771 HZ2 LYS 96 1HZ LYS 96 4.924 11.890 6.216 772 HZ3 LYS 96 2HZ LYS 96 5.336 12.739 4.870 773 H GLU 97 H GLU 97 10.189 5.331 8.278 774 HA GLU 97 HA GLU 97 11.668 6.274 10.689 775 HB2 GLU 97 2HB GLU 97 9.485 4.160 10.390 776 HB3 GLU 97 3HB GLU 97 10.583 4.175 11.727 777 HG2 GLU 97 2HG GLU 97 9.846 6.570 12.203 778 HG3 GLU 97 3HG GLU 97 8.641 6.394 10.937 779 H LEU 98 H LEU 98 11.195 3.853 8.181 780 HA LEU 98 HA LEU 98 13.507 2.224 8.941 781 HB2 LEU 98 2HB LEU 98 11.832 2.169 6.424 782 HB3 LEU 98 3HB LEU 98 12.865 0.873 7.002 783 HG LEU 98 HG LEU 98 10.544 1.810 8.719 784 HD11 LEU 98 1HD1 LEU 98 9.054 0.303 7.534 785 HD12 LEU 98 2HD1 LEU 98 10.373 -0.102 6.382 786 HD13 LEU 98 3HD1 LEU 98 9.673 1.522 6.437 787 HD21 LEU 98 3HD2 LEU 98 12.328 0.086 9.481 788 HD22 LEU 98 1HD2 LEU 98 11.404 -1.039 8.458 789 HD23 LEU 98 2HD2 LEU 98 10.626 -0.190 9.792 790 H THR 99 H THR 99 12.818 4.761 6.468 791 HA THR 99 HA THR 99 15.509 4.227 5.224 792 HB THR 99 HB THR 99 14.760 5.527 3.365 793 HG1 THR 99 1HG THR 99 12.599 6.320 3.326 794 HG21 THR 99 3HG2 THR 99 12.425 3.766 4.221 795 HG22 THR 99 1HG2 THR 99 13.911 3.188 3.438 796 HG23 THR 99 2HG2 THR 99 12.815 4.271 2.576 797 H THR 100 H THR 100 13.988 6.412 7.504 798 HA THR 100 HA THR 100 16.343 8.046 7.731 799 HB THR 100 HB THR 100 14.713 8.863 5.923 800 HG1 THR 100 1HG THR 100 16.193 10.272 6.739 801 HG21 THR 100 3HG2 THR 100 12.717 10.072 6.501 802 HG22 THR 100 1HG2 THR 100 12.971 9.768 8.235 803 HG23 THR 100 2HG2 THR 100 12.610 8.428 7.132 804 H GLU 101 H GLU 101 15.997 9.436 9.743 805 HA GLU 101 HA GLU 101 14.059 8.221 11.673 806 HB2 GLU 101 2HB GLU 101 16.894 9.214 12.043 807 HB3 GLU 101 3HB GLU 101 15.813 8.810 13.386 808 HG2 GLU 101 2HG GLU 101 15.874 6.509 12.913 809 HG3 GLU 101 3HG GLU 101 16.336 6.741 11.224 810 H LYS 102 H LYS 102 12.591 9.787 10.829 811 HA LYS 102 HA LYS 102 13.192 12.655 11.042 812 HB2 LYS 102 2HB LYS 102 11.818 11.820 9.222 813 HB3 LYS 102 3HB LYS 102 10.656 11.124 10.350 814 HG2 LYS 102 2HG LYS 102 9.894 13.261 11.073 815 HG3 LYS 102 3HG LYS 102 11.241 14.109 10.311 816 HD2 LYS 102 2HD LYS 102 9.016 12.616 8.856 817 HD3 LYS 102 3HD LYS 102 9.053 14.355 9.129 818 HE2 LYS 102 2HE LYS 102 11.002 12.743 7.420 819 HE3 LYS 102 3HE LYS 102 9.751 13.856 6.852 820 HZ1 LYS 102 3HZ LYS 102 11.829 14.957 6.798 821 HZ2 LYS 102 1HZ LYS 102 12.216 14.535 8.323 822 HZ3 LYS 102 2HZ LYS 102 11.037 15.642 8.075 823 H LYS 103 H LYS 103 11.842 14.119 12.400 824 HA LYS 103 HA LYS 103 10.811 12.892 14.882 825 HB2 LYS 103 2HB LYS 103 12.768 15.242 14.706 826 HB3 LYS 103 3HB LYS 103 11.741 14.906 16.090 827 HG2 LYS 103 2HG LYS 103 13.670 13.842 16.756 828 HG3 LYS 103 3HG LYS 103 12.746 12.516 16.075 829 HD2 LYS 103 2HD LYS 103 14.747 12.055 15.049 830 HD3 LYS 103 3HD LYS 103 14.145 13.182 13.855 831 HE2 LYS 103 2HE LYS 103 16.250 14.034 14.180 832 HE3 LYS 103 3HE LYS 103 15.297 15.018 15.298 833 HZ1 LYS 103 3HZ LYS 103 16.002 13.404 17.052 834 HZ2 LYS 103 1HZ LYS 103 17.267 14.257 16.360 835 HZ3 LYS 103 2HZ LYS 103 17.009 12.700 15.968 836 H ALA 104 H ALA 104 9.165 14.212 15.841 837 HA ALA 104 HA ALA 104 7.199 14.960 14.070 838 HB1 ALA 104 1HB ALA 104 6.044 15.931 16.013 839 HB2 ALA 104 2HB ALA 104 6.828 14.391 16.409 840 HB3 ALA 104 3HB ALA 104 7.566 15.928 16.931 841 H ARG 105 H ARG 105 6.363 16.741 13.252 842 HA ARG 105 HA ARG 105 7.858 19.326 13.441 843 HB2 ARG 105 2HB ARG 105 8.040 17.795 11.288 844 HB3 ARG 105 3HB ARG 105 6.463 18.461 10.893 845 HG2 ARG 105 2HG ARG 105 8.972 20.115 11.475 846 HG3 ARG 105 3HG ARG 105 8.474 19.597 9.867 847 HD2 ARG 105 2HD ARG 105 6.318 20.831 10.168 848 HD3 ARG 105 3HD ARG 105 6.947 21.448 11.716 849 HE ARG 105 HE ARG 105 8.914 22.164 10.025 850 HH11 ARG 105 1HH1 ARG 105 5.394 22.740 9.950 851 HH12 ARG 105 2HH1 ARG 105 5.561 24.129 8.897 852 HH21 ARG 105 1HH2 ARG 105 9.061 24.211 9.065 853 HH22 ARG 105 2HH2 ARG 105 7.612 25.028 8.502 854 H ARG 106 H ARG 106 4.676 17.680 13.020 855 HA ARG 106 HA ARG 106 3.145 20.150 13.040 856 HB2 ARG 106 2HB ARG 106 2.573 17.178 13.331 857 HB3 ARG 106 3HB ARG 106 1.342 18.319 13.769 858 HG2 ARG 106 2HG ARG 106 2.619 18.241 11.014 859 HG3 ARG 106 3HG ARG 106 1.136 17.398 11.478 860 HD2 ARG 106 2HD ARG 106 0.158 19.612 12.194 861 HD3 ARG 106 3HD ARG 106 1.551 20.419 11.462 862 HE ARG 106 HE ARG 106 -0.789 19.285 10.189 863 HH11 ARG 106 1HH1 ARG 106 2.641 19.606 9.453 864 HH12 ARG 106 2HH1 ARG 106 2.384 20.027 7.785 865 HH21 ARG 106 1HH2 ARG 106 -1.153 20.095 8.075 866 HH22 ARG 106 2HH2 ARG 106 0.187 20.355 7.004 867 HA PRO 107 HA PRO 107 3.071 20.760 17.442 868 HB2 PRO 107 2HB PRO 107 0.809 22.180 17.850 869 HB3 PRO 107 3HB PRO 107 2.088 22.774 16.741 870 HG2 PRO 107 2HG PRO 107 -0.455 21.290 16.011 871 HG3 PRO 107 3HG PRO 107 0.161 22.830 15.334 872 HD2 PRO 107 2HD PRO 107 0.625 20.351 14.210 873 HD3 PRO 107 3HD PRO 107 1.767 21.723 14.045 874 H THR 108 H THR 108 1.442 20.507 19.416 875 HA THR 108 HA THR 108 0.142 17.836 19.174 876 HB THR 108 HB THR 108 2.124 18.337 20.722 877 HG1 THR 108 1HG THR 108 1.428 16.932 22.164 878 HG21 THR 108 3HG2 THR 108 -0.036 19.467 22.548 879 HG22 THR 108 1HG2 THR 108 1.213 20.439 21.743 880 HG23 THR 108 2HG2 THR 108 1.669 19.195 22.922 881 H ARG 109 H ARG 109 -0.807 20.994 19.041 882 HA ARG 109 HA ARG 109 -3.044 21.043 20.896 883 HB2 ARG 109 2HB ARG 109 -2.436 22.784 18.457 884 HB3 ARG 109 3HB ARG 109 -3.683 23.079 19.672 885 HG2 ARG 109 2HG ARG 109 -1.853 23.194 21.418 886 HG3 ARG 109 3HG ARG 109 -0.662 23.110 20.124 887 HD2 ARG 109 2HD ARG 109 -2.857 25.230 20.272 888 HD3 ARG 109 3HD ARG 109 -1.248 25.437 20.967 889 HE ARG 109 HE ARG 109 -1.168 24.665 18.160 890 HH11 ARG 109 1HH1 ARG 109 -2.116 27.514 20.034 891 HH12 ARG 109 2HH1 ARG 109 -1.262 28.627 19.027 892 HH21 ARG 109 1HH2 ARG 109 -0.007 26.157 16.809 893 HH22 ARG 109 2HH2 ARG 109 -0.319 27.848 17.039 894 H SER 110 H SER 110 -4.279 19.062 20.409 895 HA SER 110 HA SER 110 -5.297 18.731 17.660 896 HB2 SER 110 2HB SER 110 -6.581 16.814 18.806 897 HB3 SER 110 3HB SER 110 -4.837 16.684 18.589 898 HG SER 110 HG SER 110 -6.174 16.412 20.776 899 H GLY 111 H GLY 111 -6.352 20.375 20.538 900 HA2 GLY 111 2HA GLY 111 -8.890 21.128 19.222 901 HA3 GLY 111 3HA GLY 111 -8.948 20.392 20.839 902 HA PRO 112 HA PRO 112 -6.382 24.411 21.444 903 HB2 PRO 112 2HB PRO 112 -6.179 26.248 19.419 904 HB3 PRO 112 3HB PRO 112 -5.068 24.866 19.572 905 HG2 PRO 112 2HG PRO 112 -7.536 25.085 17.827 906 HG3 PRO 112 3HG PRO 112 -5.905 24.509 17.360 907 HD2 PRO 112 2HD PRO 112 -7.925 22.799 18.022 908 HD3 PRO 112 3HD PRO 112 -6.225 22.447 18.444 909 H SER 113 H SER 113 -7.067 26.729 21.915 910 HA SER 113 HA SER 113 -9.925 27.254 21.355 911 HB2 SER 113 2HB SER 113 -8.520 27.470 24.051 912 HB3 SER 113 3HB SER 113 -10.205 27.868 23.708 913 HG SER 113 HG SER 113 -10.652 25.782 23.285 914 H SER 114 H SER 114 -10.279 29.639 22.395 915 HA SER 114 HA SER 114 -8.143 31.482 22.060 916 HB2 SER 114 2HB SER 114 -9.389 32.744 20.191 917 HB3 SER 114 3HB SER 114 -8.376 31.371 19.746 918 HG SER 114 HG SER 114 -11.228 31.321 20.004 919 H GLY 115 H GLY 115 -8.881 33.555 22.865 920 HA2 GLY 115 2HA GLY 115 -10.395 35.070 23.824 921 HA3 GLY 115 3HA GLY 115 -11.715 33.910 23.611 922 H GLU 116 H GLU 116 -8.964 32.437 25.069 923 HA GLU 116 HA GLU 116 -10.375 32.140 27.583 924 HB2 GLU 116 2HB GLU 116 -8.433 30.813 28.270 925 HB3 GLU 116 3HB GLU 116 -9.145 30.255 26.771 926 HG2 GLU 116 2HG GLU 116 -6.678 32.043 26.778 927 HG3 GLU 116 3HG GLU 116 -6.572 30.298 27.010 928 H ASN 117 H ASN 117 -8.470 34.646 26.353 929 HA ASN 117 HA ASN 117 -8.321 35.973 28.919 930 HB2 ASN 117 2HB ASN 117 -6.146 34.581 28.625 931 HB3 ASN 117 3HB ASN 117 -5.757 35.691 27.304 932 HD21 ASN 117 1HD2 ASN 117 -5.101 35.168 30.505 933 HD22 ASN 117 2HD2 ASN 117 -4.842 36.845 30.989 934 H LEU 118 H LEU 118 -8.397 38.242 28.529 935 HA LEU 118 HA LEU 118 -8.106 39.286 25.790 936 HB2 LEU 118 2HB LEU 118 -10.673 39.630 27.407 937 HB3 LEU 118 3HB LEU 118 -10.218 40.559 25.996 938 HG LEU 118 HG LEU 118 -10.018 38.130 24.858 939 HD11 LEU 118 1HD1 LEU 118 -10.772 36.880 26.892 940 HD12 LEU 118 2HD1 LEU 118 -11.919 36.720 25.568 941 HD13 LEU 118 3HD1 LEU 118 -12.271 37.828 26.913 942 HD21 LEU 118 3HD2 LEU 118 -12.269 38.512 23.947 943 HD22 LEU 118 1HD2 LEU 118 -11.327 40.005 24.009 944 HD23 LEU 118 2HD2 LEU 118 -12.591 39.709 25.226 945 H TYR 119 H TYR 119 -6.494 39.475 28.264 946 HA TYR 119 HA TYR 119 -7.025 42.117 29.376 947 HB2 TYR 119 2HB TYR 119 -5.995 40.073 30.574 948 HB3 TYR 119 3HB TYR 119 -4.513 40.439 29.699 949 HD1 TYR 119 1HD TYR 119 -7.140 42.062 31.850 950 HD2 TYR 119 2HD TYR 119 -2.964 41.931 30.769 951 HE1 TYR 119 1HE TYR 119 -6.645 43.749 33.589 952 HE2 TYR 119 2HE TYR 119 -2.466 43.632 32.492 953 HH TYR 119 HH TYR 119 -5.000 45.089 34.551 954 H PHE 120 H PHE 120 -4.674 43.479 29.457 955 HA PHE 120 HA PHE 120 -3.850 43.898 26.647 956 HB2 PHE 120 2HB PHE 120 -5.469 45.619 27.551 957 HB3 PHE 120 3HB PHE 120 -4.296 46.001 28.805 958 HD1 PHE 120 1HD PHE 120 -2.006 46.932 28.118 959 HD2 PHE 120 2HD PHE 120 -5.251 46.451 25.316 960 HE1 PHE 120 1HE PHE 120 -0.866 48.453 26.532 961 HE2 PHE 120 2HE PHE 120 -4.114 47.993 23.740 962 HZ PHE 120 HZ PHE 120 -1.917 48.995 24.344 963 H GLN 121 H GLN 121 -1.649 43.469 26.472 964 HA GLN 121 HA GLN 121 0.176 44.136 28.584 965 HB2 GLN 121 2HB GLN 121 -0.817 41.569 28.672 966 HB3 GLN 121 3HB GLN 121 0.313 41.388 27.325 967 HG2 GLN 121 2HG GLN 121 1.642 40.827 29.109 968 HG3 GLN 121 3HG GLN 121 2.031 42.541 28.941 969 HE21 GLN 121 1HE2 GLN 121 -0.627 43.408 30.255 970 HE22 GLN 121 2HE2 GLN 121 -0.331 43.035 31.953 Start of MODEL 19 1 H1 MET 1 H MET 1 -0.700 8.489 -4.683 2 HA MET 1 HA MET 1 1.110 9.252 -6.131 3 HB2 MET 1 2HB MET 1 0.664 11.913 -4.800 4 HB3 MET 1 3HB MET 1 2.019 11.524 -5.829 5 HG2 MET 1 2HG MET 1 -0.621 11.003 -7.094 6 HG3 MET 1 3HG MET 1 -0.257 12.683 -6.734 7 HE1 MET 1 3HE MET 1 2.365 9.829 -7.766 8 HE2 MET 1 1HE MET 1 0.934 9.481 -8.785 9 HE3 MET 1 2HE MET 1 2.430 10.094 -9.516 10 H ILE 2 H ILE 2 0.374 9.344 -2.688 11 HA ILE 2 HA ILE 2 1.680 9.279 -0.868 12 HB ILE 2 HB ILE 2 2.958 6.954 -2.342 13 HG12 ILE 2 2HG1 ILE 2 0.067 7.123 -1.415 14 HG13 ILE 2 3HG1 ILE 2 0.668 6.875 -3.048 15 HG21 ILE 2 1HG2 ILE 2 3.508 7.483 0.050 16 HG22 ILE 2 2HG2 ILE 2 1.786 7.232 0.460 17 HG23 ILE 2 3HG2 ILE 2 2.790 5.904 -0.156 18 HD11 ILE 2 3HD1 ILE 2 0.875 4.940 -0.679 19 HD12 ILE 2 1HD1 ILE 2 -0.067 4.722 -2.166 20 HD13 ILE 2 2HD1 ILE 2 1.710 4.683 -2.220 21 H VAL 3 H VAL 3 2.697 11.267 -1.904 22 HA VAL 3 HA VAL 3 5.482 11.096 -2.699 23 HB VAL 3 HB VAL 3 3.939 13.500 -1.825 24 HG11 VAL 3 1HG1 VAL 3 5.567 14.875 -3.071 25 HG12 VAL 3 2HG1 VAL 3 6.306 14.030 -1.703 26 HG13 VAL 3 3HG1 VAL 3 6.553 13.418 -3.353 27 HG21 VAL 3 3HG2 VAL 3 4.426 13.122 -4.714 28 HG22 VAL 3 1HG2 VAL 3 3.069 12.291 -3.923 29 HG23 VAL 3 2HG2 VAL 3 3.205 14.048 -3.867 30 H ILE 4 H ILE 4 6.730 10.115 -1.370 31 HA ILE 4 HA ILE 4 6.760 10.616 1.514 32 HB ILE 4 HB ILE 4 8.967 9.244 -0.067 33 HG12 ILE 4 2HG1 ILE 4 6.924 8.117 -0.790 34 HG13 ILE 4 3HG1 ILE 4 7.939 7.083 0.182 35 HG21 ILE 4 1HG2 ILE 4 8.014 8.994 2.813 36 HG22 ILE 4 2HG2 ILE 4 9.257 7.980 2.056 37 HG23 ILE 4 3HG2 ILE 4 9.526 9.718 2.236 38 HD11 ILE 4 3HD1 ILE 4 5.576 6.805 0.728 39 HD12 ILE 4 1HD1 ILE 4 6.449 7.410 2.135 40 HD13 ILE 4 2HD1 ILE 4 5.439 8.523 1.152 41 H SER 5 H SER 5 8.896 11.310 -1.328 42 HA SER 5 HA SER 5 9.718 13.860 -0.233 43 HB2 SER 5 2HB SER 5 11.179 11.968 0.867 44 HB3 SER 5 3HB SER 5 11.903 11.814 -0.749 45 HG SER 5 HG SER 5 13.019 13.309 0.645 46 H ARG 6 H ARG 6 11.783 14.488 -1.881 47 HA ARG 6 HA ARG 6 10.543 14.729 -4.454 48 HB2 ARG 6 2HB ARG 6 12.398 16.242 -3.446 49 HB3 ARG 6 3HB ARG 6 13.529 14.947 -3.869 50 HG2 ARG 6 2HG ARG 6 12.415 15.157 -6.267 51 HG3 ARG 6 3HG ARG 6 11.873 16.717 -5.685 52 HD2 ARG 6 2HD ARG 6 14.771 15.762 -5.753 53 HD3 ARG 6 3HD ARG 6 14.009 16.741 -7.001 54 HE ARG 6 HE ARG 6 13.593 18.479 -5.308 55 HH11 ARG 6 1HH1 ARG 6 16.245 16.215 -4.558 56 HH12 ARG 6 2HH1 ARG 6 17.325 17.445 -4.041 57 HH21 ARG 6 1HH2 ARG 6 14.801 19.994 -4.406 58 HH22 ARG 6 2HH2 ARG 6 16.296 19.680 -3.591 59 H HIS 7 H HIS 7 10.775 13.419 -6.269 60 HA HIS 7 HA HIS 7 11.184 11.651 -7.549 61 HB2 HIS 7 2HB HIS 7 13.657 10.965 -5.999 62 HB3 HIS 7 3HB HIS 7 13.281 10.628 -7.677 63 HD1 HIS 7 1HD HIS 7 12.595 13.767 -8.506 64 HD2 HIS 7 2HD HIS 7 15.879 12.170 -6.418 65 HE1 HIS 7 1HE HIS 7 14.578 15.321 -8.956 66 H VAL 8 H VAL 8 10.076 11.319 -4.477 67 HA VAL 8 HA VAL 8 9.728 8.392 -4.802 68 HB VAL 8 HB VAL 8 10.171 9.793 -2.147 69 HG11 VAL 8 1HG1 VAL 8 10.195 7.484 -1.294 70 HG12 VAL 8 2HG1 VAL 8 8.705 7.777 -2.227 71 HG13 VAL 8 3HG1 VAL 8 10.033 6.874 -2.961 72 HG21 VAL 8 3HG2 VAL 8 12.324 8.480 -2.036 73 HG22 VAL 8 1HG2 VAL 8 12.134 8.150 -3.777 74 HG23 VAL 8 2HG2 VAL 8 12.344 9.812 -3.196 75 H ALA 9 H ALA 9 7.761 8.696 -5.697 76 HA ALA 9 HA ALA 9 5.527 9.340 -3.953 77 HB1 ALA 9 1HB ALA 9 4.582 11.000 -5.579 78 HB2 ALA 9 2HB ALA 9 5.964 11.551 -4.628 79 HB3 ALA 9 3HB ALA 9 6.209 11.084 -6.322 80 H ILE 10 H ILE 10 4.705 7.444 -4.184 81 HA ILE 10 HA ILE 10 4.834 5.778 -6.526 82 HB ILE 10 HB ILE 10 3.148 5.286 -4.017 83 HG12 ILE 10 2HG1 ILE 10 6.061 4.412 -4.387 84 HG13 ILE 10 3HG1 ILE 10 5.601 5.828 -3.422 85 HG21 ILE 10 1HG2 ILE 10 2.734 3.779 -5.936 86 HG22 ILE 10 2HG2 ILE 10 4.476 3.441 -6.060 87 HG23 ILE 10 3HG2 ILE 10 3.561 2.900 -4.659 88 HD11 ILE 10 3HD1 ILE 10 4.189 4.518 -1.993 89 HD12 ILE 10 1HD1 ILE 10 4.646 3.032 -2.826 90 HD13 ILE 10 2HD1 ILE 10 5.888 3.961 -1.967 91 HA PRO 11 HA PRO 11 1.007 7.476 -8.110 92 HB2 PRO 11 2HB PRO 11 0.551 5.893 -10.290 93 HB3 PRO 11 3HB PRO 11 1.890 7.065 -10.190 94 HG2 PRO 11 2HG PRO 11 1.980 4.085 -9.611 95 HG3 PRO 11 3HG PRO 11 3.078 5.065 -10.660 96 HD2 PRO 11 2HD PRO 11 3.689 4.440 -8.070 97 HD3 PRO 11 3HD PRO 11 4.178 5.986 -8.807 98 H ASP 12 H ASP 12 0.912 5.345 -5.935 99 HA ASP 12 HA ASP 12 -0.558 4.191 -4.703 100 HB2 ASP 12 2HB ASP 12 -1.739 6.414 -5.118 101 HB3 ASP 12 3HB ASP 12 -2.732 5.586 -6.308 102 H GLY 13 H GLY 13 -0.334 3.383 -7.904 103 HA2 GLY 13 2HA GLY 13 -2.232 1.108 -7.693 104 HA3 GLY 13 3HA GLY 13 -1.600 1.817 -9.174 105 H GLU 14 H GLU 14 1.148 1.751 -7.328 106 HA GLU 14 HA GLU 14 2.082 -0.735 -8.573 107 HB2 GLU 14 2HB GLU 14 3.287 1.376 -6.766 108 HB3 GLU 14 3HB GLU 14 4.173 -0.107 -7.151 109 HG2 GLU 14 2HG GLU 14 4.124 0.405 -9.534 110 HG3 GLU 14 3HG GLU 14 3.107 1.824 -9.242 111 H LEU 15 H LEU 15 0.406 0.090 -5.797 112 HA LEU 15 HA LEU 15 1.368 -2.029 -4.007 113 HB2 LEU 15 2HB LEU 15 -0.932 -0.055 -3.611 114 HB3 LEU 15 3HB LEU 15 -0.115 -1.018 -2.391 115 HG LEU 15 HG LEU 15 1.981 0.422 -2.880 116 HD11 LEU 15 1HD1 LEU 15 1.706 1.484 -4.839 117 HD12 LEU 15 2HD1 LEU 15 1.364 2.760 -3.681 118 HD13 LEU 15 3HD1 LEU 15 0.005 1.928 -4.490 119 HD21 LEU 15 3HD2 LEU 15 1.267 2.247 -1.460 120 HD22 LEU 15 1HD2 LEU 15 0.601 0.712 -0.857 121 HD23 LEU 15 2HD2 LEU 15 -0.440 1.842 -1.753 122 H GLU 16 H GLU 16 -0.261 -3.499 -3.143 123 HA GLU 16 HA GLU 16 -2.431 -4.217 -5.049 124 HB2 GLU 16 2HB GLU 16 -0.665 -5.808 -5.183 125 HB3 GLU 16 3HB GLU 16 -0.466 -5.882 -3.433 126 HG2 GLU 16 2HG GLU 16 -2.586 -7.018 -3.158 127 HG3 GLU 16 3HG GLU 16 -3.040 -6.698 -4.842 128 H ILE 17 H ILE 17 -4.359 -3.751 -4.157 129 HA ILE 17 HA ILE 17 -4.594 -3.822 -1.185 130 HB ILE 17 HB ILE 17 -5.944 -2.017 -3.217 131 HG12 ILE 17 2HG1 ILE 17 -4.675 -0.623 -1.062 132 HG13 ILE 17 3HG1 ILE 17 -3.533 -1.858 -1.477 133 HG21 ILE 17 1HG2 ILE 17 -6.999 -0.925 -1.276 134 HG22 ILE 17 2HG2 ILE 17 -7.559 -2.600 -1.438 135 HG23 ILE 17 3HG2 ILE 17 -6.331 -2.191 -0.219 136 HD11 ILE 17 3HD1 ILE 17 -4.743 0.131 -3.428 137 HD12 ILE 17 1HD1 ILE 17 -3.102 0.163 -2.759 138 HD13 ILE 17 2HD1 ILE 17 -3.580 -1.143 -3.864 139 H THR 18 H THR 18 -6.081 -5.040 -0.306 140 HA THR 18 HA THR 18 -8.025 -6.461 -2.036 141 HB THR 18 HB THR 18 -7.061 -8.306 -0.070 142 HG1 THR 18 1HG THR 18 -4.951 -7.283 -1.639 143 HG21 THR 18 3HG2 THR 18 -6.469 -9.657 -2.008 144 HG22 THR 18 1HG2 THR 18 -6.613 -8.239 -3.075 145 HG23 THR 18 2HG2 THR 18 -8.047 -8.880 -2.238 146 H ALA 19 H ALA 19 -9.915 -7.101 -1.115 147 HA ALA 19 HA ALA 19 -10.721 -5.852 1.409 148 HB1 ALA 19 1HB ALA 19 -12.282 -5.901 -0.534 149 HB2 ALA 19 2HB ALA 19 -12.125 -7.674 -0.622 150 HB3 ALA 19 3HB ALA 19 -12.931 -6.940 0.756 151 H ILE 20 H ILE 20 -10.920 -6.750 3.339 152 HA ILE 20 HA ILE 20 -10.661 -9.702 3.526 153 HB ILE 20 HB ILE 20 -9.294 -9.221 5.608 154 HG12 ILE 20 2HG1 ILE 20 -8.511 -6.645 4.258 155 HG13 ILE 20 3HG1 ILE 20 -9.697 -6.744 5.554 156 HG21 ILE 20 1HG2 ILE 20 -8.048 -8.606 2.915 157 HG22 ILE 20 2HG2 ILE 20 -7.229 -9.328 4.331 158 HG23 ILE 20 3HG2 ILE 20 -8.483 -10.235 3.481 159 HD11 ILE 20 3HD1 ILE 20 -8.003 -7.788 7.050 160 HD12 ILE 20 1HD1 ILE 20 -6.775 -7.579 5.782 161 HD13 ILE 20 2HD1 ILE 20 -7.551 -6.167 6.520 162 H ARG 21 H ARG 21 -11.283 -10.649 5.413 163 HA ARG 21 HA ARG 21 -13.482 -9.303 6.869 164 HB2 ARG 21 2HB ARG 21 -13.187 -12.204 5.915 165 HB3 ARG 21 3HB ARG 21 -14.425 -11.645 7.021 166 HG2 ARG 21 2HG ARG 21 -15.576 -11.633 5.074 167 HG3 ARG 21 3HG ARG 21 -15.091 -9.944 5.165 168 HD2 ARG 21 2HD ARG 21 -13.342 -10.326 3.473 169 HD3 ARG 21 3HD ARG 21 -13.666 -12.071 3.502 170 HE ARG 21 HE ARG 21 -16.064 -10.634 3.000 171 HH11 ARG 21 1HH1 ARG 21 -13.049 -11.556 1.195 172 HH12 ARG 21 2HH1 ARG 21 -13.958 -11.775 -0.270 173 HH21 ARG 21 1HH2 ARG 21 -17.101 -10.921 0.964 174 HH22 ARG 21 2HH2 ARG 21 -16.117 -11.393 -0.415 175 H ALA 22 H ALA 22 -13.868 -10.413 9.013 176 HA ALA 22 HA ALA 22 -11.455 -11.430 10.351 177 HB1 ALA 22 1HB ALA 22 -11.645 -8.959 10.885 178 HB2 ALA 22 2HB ALA 22 -13.326 -9.255 11.420 179 HB3 ALA 22 3HB ALA 22 -11.995 -9.992 12.298 180 H GLN 23 H GLN 23 -12.141 -12.401 12.399 181 HA GLN 23 HA GLN 23 -13.294 -13.981 13.500 182 HB2 GLN 23 2HB GLN 23 -14.357 -11.709 14.071 183 HB3 GLN 23 3HB GLN 23 -15.689 -12.214 13.026 184 HG2 GLN 23 2HG GLN 23 -16.243 -12.592 15.264 185 HG3 GLN 23 3HG GLN 23 -16.107 -14.158 14.465 186 HE21 GLN 23 1HE2 GLN 23 -15.264 -15.635 15.955 187 HE22 GLN 23 2HE2 GLN 23 -14.356 -15.083 17.360 188 H GLY 24 H GLY 24 -12.928 -14.772 10.861 189 HA2 GLY 24 2HA GLY 24 -15.424 -15.720 9.693 190 HA3 GLY 24 3HA GLY 24 -13.768 -16.213 9.270 191 H ALA 25 H ALA 25 -13.503 -16.645 12.359 192 HA ALA 25 HA ALA 25 -13.971 -19.497 12.375 193 HB1 ALA 25 1HB ALA 25 -11.929 -18.457 13.286 194 HB2 ALA 25 2HB ALA 25 -12.905 -17.521 14.443 195 HB3 ALA 25 3HB ALA 25 -12.844 -19.287 14.568 196 H GLY 26 H GLY 26 -15.381 -20.580 13.592 197 HA2 GLY 26 2HA GLY 26 -17.727 -19.261 14.666 198 HA3 GLY 26 3HA GLY 26 -17.410 -21.005 14.591 199 H GLY 27 H GLY 27 -18.530 -19.579 16.821 200 HA2 GLY 27 2HA GLY 27 -17.056 -20.607 19.004 201 HA3 GLY 27 3HA GLY 27 -16.977 -18.827 18.933 202 H GLN 28 H GLN 28 -18.366 -19.884 21.032 203 HA GLN 28 HA GLN 28 -21.132 -20.456 20.603 204 HB2 GLN 28 2HB GLN 28 -19.613 -20.841 22.663 205 HB3 GLN 28 3HB GLN 28 -19.934 -19.170 23.106 206 HG2 GLN 28 2HG GLN 28 -22.071 -21.320 22.682 207 HG3 GLN 28 3HG GLN 28 -21.346 -20.947 24.241 208 HE21 GLN 28 1HE2 GLN 28 -21.568 -18.520 25.000 209 HE22 GLN 28 2HE2 GLN 28 -23.058 -17.737 24.502 210 H HIS 29 H HIS 29 -19.415 -17.416 21.412 211 HA HIS 29 HA HIS 29 -21.605 -15.813 20.203 212 HB2 HIS 29 2HB HIS 29 -20.273 -15.375 22.898 213 HB3 HIS 29 3HB HIS 29 -21.086 -14.102 21.992 214 HD1 HIS 29 1HD HIS 29 -23.272 -17.007 21.430 215 HD2 HIS 29 2HD HIS 29 -22.358 -14.405 24.618 216 HE1 HIS 29 1HE HIS 29 -25.263 -17.058 22.978 217 H VAL 30 H VAL 30 -20.691 -14.609 18.603 218 HA VAL 30 HA VAL 30 -17.800 -13.958 18.750 219 HB VAL 30 HB VAL 30 -17.581 -14.349 16.410 220 HG11 VAL 30 1HG1 VAL 30 -18.889 -16.817 17.606 221 HG12 VAL 30 2HG1 VAL 30 -17.699 -16.751 16.292 222 HG13 VAL 30 3HG1 VAL 30 -17.225 -16.275 17.933 223 HG21 VAL 30 3HG2 VAL 30 -19.326 -15.333 14.999 224 HG22 VAL 30 1HG2 VAL 30 -20.496 -15.217 16.335 225 HG23 VAL 30 2HG2 VAL 30 -19.808 -13.744 15.602 226 H ASN 31 H ASN 31 -17.778 -12.330 16.447 227 HA ASN 31 HA ASN 31 -19.688 -10.153 17.011 228 HB2 ASN 31 2HB ASN 31 -17.893 -8.539 16.843 229 HB3 ASN 31 3HB ASN 31 -17.573 -9.657 18.174 230 HD21 ASN 31 1HD2 ASN 31 -15.792 -11.166 17.981 231 HD22 ASN 31 2HD2 ASN 31 -14.635 -11.102 16.693 232 H LYS 32 H LYS 32 -19.907 -8.736 15.072 233 HA LYS 32 HA LYS 32 -19.010 -10.066 12.546 234 HB2 LYS 32 2HB LYS 32 -21.842 -9.123 13.120 235 HB3 LYS 32 3HB LYS 32 -21.209 -9.634 11.563 236 HG2 LYS 32 2HG LYS 32 -20.550 -11.829 13.132 237 HG3 LYS 32 3HG LYS 32 -22.012 -11.254 13.934 238 HD2 LYS 32 2HD LYS 32 -22.746 -12.828 12.297 239 HD3 LYS 32 3HD LYS 32 -23.083 -11.238 11.580 240 HE2 LYS 32 2HE LYS 32 -20.617 -11.486 10.609 241 HE3 LYS 32 3HE LYS 32 -20.812 -13.191 10.979 242 HZ1 LYS 32 3HZ LYS 32 -22.485 -11.542 9.190 243 HZ2 LYS 32 1HZ LYS 32 -22.801 -13.134 9.517 244 HZ3 LYS 32 2HZ LYS 32 -21.410 -12.711 8.740 245 H THR 33 H THR 33 -17.420 -8.541 12.386 246 HA THR 33 HA THR 33 -18.158 -6.069 11.013 247 HB THR 33 HB THR 33 -16.201 -4.957 12.291 248 HG1 THR 33 1HG THR 33 -15.541 -6.757 13.443 249 HG21 THR 33 3HG2 THR 33 -17.630 -4.040 14.003 250 HG22 THR 33 1HG2 THR 33 -18.776 -5.399 13.864 251 HG23 THR 33 2HG2 THR 33 -18.568 -4.245 12.533 252 H SER 34 H SER 34 -17.436 -6.959 9.103 253 HA SER 34 HA SER 34 -14.613 -7.811 8.923 254 HB2 SER 34 2HB SER 34 -15.630 -9.642 7.333 255 HB3 SER 34 3HB SER 34 -15.496 -9.915 9.074 256 HG SER 34 HG SER 34 -17.547 -10.389 7.817 257 H THR 35 H THR 35 -14.783 -5.460 8.163 258 HA THR 35 HA THR 35 -15.133 -5.541 5.227 259 HB THR 35 HB THR 35 -16.217 -3.152 6.719 260 HG1 THR 35 1HG THR 35 -17.418 -4.625 7.712 261 HG21 THR 35 3HG2 THR 35 -16.888 -4.639 4.142 262 HG22 THR 35 1HG2 THR 35 -16.041 -3.073 4.339 263 HG23 THR 35 2HG2 THR 35 -17.758 -3.203 4.743 264 H ALA 36 H ALA 36 -12.727 -5.843 6.510 265 HA ALA 36 HA ALA 36 -11.401 -3.221 6.746 266 HB1 ALA 36 1HB ALA 36 -9.532 -4.892 7.396 267 HB2 ALA 36 2HB ALA 36 -10.965 -4.800 8.457 268 HB3 ALA 36 3HB ALA 36 -10.766 -6.152 7.323 269 H ILE 37 H ILE 37 -8.993 -3.345 5.908 270 HA ILE 37 HA ILE 37 -8.962 -4.457 3.162 271 HB ILE 37 HB ILE 37 -8.318 -1.612 4.038 272 HG12 ILE 37 2HG1 ILE 37 -10.702 -2.074 3.394 273 HG13 ILE 37 3HG1 ILE 37 -9.902 -0.917 2.343 274 HG21 ILE 37 1HG2 ILE 37 -6.477 -2.129 2.637 275 HG22 ILE 37 2HG2 ILE 37 -7.484 -3.102 1.532 276 HG23 ILE 37 3HG2 ILE 37 -7.632 -1.363 1.554 277 HD11 ILE 37 3HD1 ILE 37 -10.376 -3.842 1.702 278 HD12 ILE 37 1HD1 ILE 37 -11.257 -2.448 1.072 279 HD13 ILE 37 2HD1 ILE 37 -9.564 -2.688 0.628 280 H HIS 38 H HIS 38 -7.074 -5.024 2.414 281 HA HIS 38 HA HIS 38 -4.788 -5.341 4.233 282 HB2 HIS 38 2HB HIS 38 -5.989 -7.452 3.608 283 HB3 HIS 38 3HB HIS 38 -5.805 -7.056 1.906 284 HD1 HIS 38 1HD HIS 38 -3.324 -7.427 0.867 285 HD2 HIS 38 2HD HIS 38 -3.983 -8.567 4.856 286 HE1 HIS 38 1HE HIS 38 -1.243 -8.739 1.620 287 H LEU 39 H LEU 39 -2.951 -4.322 3.419 288 HA LEU 39 HA LEU 39 -2.940 -3.299 0.628 289 HB2 LEU 39 2HB LEU 39 -3.549 -1.507 2.163 290 HB3 LEU 39 3HB LEU 39 -2.176 -1.863 3.210 291 HG LEU 39 HG LEU 39 -1.605 -1.240 0.301 292 HD11 LEU 39 1HD1 LEU 39 -2.173 0.977 2.286 293 HD12 LEU 39 2HD1 LEU 39 -3.289 0.491 0.986 294 HD13 LEU 39 3HD1 LEU 39 -1.701 1.139 0.589 295 HD21 LEU 39 3HD2 LEU 39 0.215 0.176 1.643 296 HD22 LEU 39 1HD2 LEU 39 0.384 -1.590 1.476 297 HD23 LEU 39 2HD2 LEU 39 -0.221 -0.869 2.983 298 H ARG 40 H ARG 40 -1.229 -4.156 -0.390 299 HA ARG 40 HA ARG 40 1.114 -5.092 1.194 300 HB2 ARG 40 2HB ARG 40 -0.359 -6.934 0.470 301 HB3 ARG 40 3HB ARG 40 -0.299 -6.362 -1.198 302 HG2 ARG 40 2HG ARG 40 2.099 -6.838 -1.325 303 HG3 ARG 40 3HG ARG 40 2.115 -7.276 0.401 304 HD2 ARG 40 2HD ARG 40 0.607 -9.156 -0.012 305 HD3 ARG 40 3HD ARG 40 0.428 -8.683 -1.702 306 HE ARG 40 HE ARG 40 2.903 -9.699 -0.393 307 HH11 ARG 40 1HH1 ARG 40 1.024 -9.227 -3.455 308 HH12 ARG 40 2HH1 ARG 40 2.213 -10.060 -4.385 309 HH21 ARG 40 1HH2 ARG 40 4.550 -10.583 -1.796 310 HH22 ARG 40 2HH2 ARG 40 4.237 -10.668 -3.454 311 H PHE 41 H PHE 41 2.923 -4.050 0.538 312 HA PHE 41 HA PHE 41 2.950 -2.811 -2.204 313 HB2 PHE 41 2HB PHE 41 2.613 -1.097 -0.547 314 HB3 PHE 41 3HB PHE 41 3.988 -1.677 0.402 315 HD1 PHE 41 2HD PHE 41 3.693 -1.181 -3.376 316 HD2 PHE 41 1HD PHE 41 5.541 0.103 0.339 317 HE1 PHE 41 2HE PHE 41 5.183 0.289 -4.617 318 HE2 PHE 41 1HE PHE 41 6.924 1.670 -0.938 319 HZ PHE 41 HZ PHE 41 6.934 1.624 -3.419 320 H ASP 42 H ASP 42 4.235 -4.263 -3.294 321 HA ASP 42 HA ASP 42 6.486 -5.661 -2.089 322 HB2 ASP 42 2HB ASP 42 5.105 -5.656 -4.770 323 HB3 ASP 42 3HB ASP 42 6.802 -6.140 -4.698 324 H ILE 43 H ILE 43 8.116 -4.303 -1.544 325 HA ILE 43 HA ILE 43 8.748 -1.822 -2.705 326 HB ILE 43 HB ILE 43 10.520 -3.797 -1.218 327 HG12 ILE 43 2HG1 ILE 43 9.647 -1.263 0.107 328 HG13 ILE 43 3HG1 ILE 43 8.338 -2.425 -0.157 329 HG21 ILE 43 1HG2 ILE 43 11.968 -1.857 -0.695 330 HG22 ILE 43 2HG2 ILE 43 11.926 -2.255 -2.402 331 HG23 ILE 43 3HG2 ILE 43 10.991 -0.859 -1.817 332 HD11 ILE 43 3HD1 ILE 43 9.454 -4.150 1.073 333 HD12 ILE 43 1HD1 ILE 43 10.970 -3.230 1.148 334 HD13 ILE 43 2HD1 ILE 43 9.545 -2.694 2.053 335 H ARG 44 H ARG 44 10.265 -5.049 -3.399 336 HA ARG 44 HA ARG 44 12.130 -4.129 -5.319 337 HB2 ARG 44 2HB ARG 44 10.650 -6.779 -5.063 338 HB3 ARG 44 3HB ARG 44 11.972 -6.518 -6.200 339 HG2 ARG 44 2HG ARG 44 13.587 -6.215 -4.488 340 HG3 ARG 44 3HG ARG 44 12.348 -5.950 -3.252 341 HD2 ARG 44 2HD ARG 44 13.277 -8.092 -2.890 342 HD3 ARG 44 3HD ARG 44 11.586 -8.237 -3.411 343 HE ARG 44 HE ARG 44 13.377 -8.514 -5.649 344 HH11 ARG 44 1HH1 ARG 44 12.189 -10.209 -2.775 345 HH12 ARG 44 2HH1 ARG 44 12.349 -11.783 -3.441 346 HH21 ARG 44 1HH2 ARG 44 13.626 -10.595 -6.537 347 HH22 ARG 44 2HH2 ARG 44 13.296 -12.035 -5.597 348 H ALA 45 H ALA 45 8.652 -4.734 -5.706 349 HA ALA 45 HA ALA 45 8.827 -4.641 -8.610 350 HB1 ALA 45 1HB ALA 45 6.441 -5.131 -8.462 351 HB2 ALA 45 2HB ALA 45 7.328 -6.206 -7.368 352 HB3 ALA 45 3HB ALA 45 6.444 -4.799 -6.724 353 H SER 46 H SER 46 8.915 -2.237 -6.278 354 HA SER 46 HA SER 46 7.106 -0.455 -7.766 355 HB2 SER 46 2HB SER 46 7.175 0.922 -5.802 356 HB3 SER 46 3HB SER 46 6.954 -0.771 -5.313 357 HG SER 46 HG SER 46 9.226 -0.837 -4.880 358 H SER 47 H SER 47 7.781 1.772 -8.225 359 HA SER 47 HA SER 47 10.464 1.915 -9.367 360 HB2 SER 47 2HB SER 47 8.219 3.961 -9.366 361 HB3 SER 47 3HB SER 47 9.712 4.021 -10.320 362 HG SER 47 HG SER 47 7.961 3.110 -11.489 363 H LEU 48 H LEU 48 10.027 1.949 -6.312 364 HA LEU 48 HA LEU 48 10.875 4.489 -5.307 365 HB2 LEU 48 2HB LEU 48 11.302 1.622 -4.348 366 HB3 LEU 48 3HB LEU 48 11.856 2.999 -3.418 367 HG LEU 48 HG LEU 48 8.943 2.487 -4.140 368 HD11 LEU 48 1HD1 LEU 48 9.840 0.798 -2.644 369 HD12 LEU 48 2HD1 LEU 48 8.831 1.875 -1.709 370 HD13 LEU 48 3HD1 LEU 48 10.604 2.026 -1.610 371 HD21 LEU 48 3HD2 LEU 48 9.306 4.858 -3.809 372 HD22 LEU 48 1HD2 LEU 48 10.216 4.560 -2.304 373 HD23 LEU 48 2HD2 LEU 48 8.467 4.204 -2.418 374 HA PRO 49 HA PRO 49 15.101 4.470 -6.633 375 HB2 PRO 49 2HB PRO 49 16.424 5.789 -4.641 376 HB3 PRO 49 3HB PRO 49 15.273 6.605 -5.736 377 HG2 PRO 49 2HG PRO 49 14.743 5.465 -2.986 378 HG3 PRO 49 3HG PRO 49 14.346 7.111 -3.534 379 HD2 PRO 49 2HD PRO 49 12.469 5.198 -3.574 380 HD3 PRO 49 3HD PRO 49 12.619 6.285 -4.986 381 H GLU 50 H GLU 50 17.060 3.365 -6.371 382 HA GLU 50 HA GLU 50 17.135 0.971 -5.065 383 HB2 GLU 50 2HB GLU 50 19.588 0.996 -5.461 384 HB3 GLU 50 3HB GLU 50 18.642 1.448 -6.874 385 HG2 GLU 50 2HG GLU 50 19.196 3.792 -6.587 386 HG3 GLU 50 3HG GLU 50 19.902 3.491 -4.993 387 H TYR 51 H TYR 51 18.178 4.116 -3.712 388 HA TYR 51 HA TYR 51 19.517 3.092 -1.425 389 HB2 TYR 51 2HB TYR 51 19.693 5.417 -2.208 390 HB3 TYR 51 3HB TYR 51 17.999 5.699 -1.809 391 HD1 TYR 51 1HD TYR 51 21.415 5.266 -0.489 392 HD2 TYR 51 2HD TYR 51 17.288 5.987 0.542 393 HE1 TYR 51 1HE TYR 51 22.099 5.977 1.793 394 HE2 TYR 51 2HE TYR 51 17.949 6.638 2.817 395 HH TYR 51 HH TYR 51 19.740 7.125 4.217 396 H TYR 52 H TYR 52 16.088 4.064 -1.930 397 HA TYR 52 HA TYR 52 15.234 3.407 0.748 398 HB2 TYR 52 2HB TYR 52 13.709 3.842 -1.842 399 HB3 TYR 52 3HB TYR 52 12.918 3.209 -0.422 400 HD1 TYR 52 2HD TYR 52 15.457 6.037 -0.912 401 HD2 TYR 52 1HD TYR 52 11.575 4.845 0.589 402 HE1 TYR 52 2HE TYR 52 15.157 8.254 0.050 403 HE2 TYR 52 1HE TYR 52 11.282 7.083 1.562 404 HH TYR 52 HH TYR 52 12.590 9.024 2.318 405 H LYS 53 H LYS 53 15.337 1.591 -2.360 406 HA LYS 53 HA LYS 53 13.962 -0.703 -1.549 407 HB2 LYS 53 2HB LYS 53 16.481 -0.610 -3.266 408 HB3 LYS 53 3HB LYS 53 15.400 -1.959 -3.178 409 HG2 LYS 53 2HG LYS 53 14.478 0.728 -4.237 410 HG3 LYS 53 3HG LYS 53 15.300 -0.467 -5.229 411 HD2 LYS 53 2HD LYS 53 13.445 -2.095 -4.682 412 HD3 LYS 53 3HD LYS 53 12.643 -0.766 -3.829 413 HE2 LYS 53 2HE LYS 53 11.622 -0.835 -5.908 414 HE3 LYS 53 3HE LYS 53 12.734 0.534 -6.001 415 HZ1 LYS 53 3HZ LYS 53 14.249 -0.905 -7.253 416 HZ2 LYS 53 1HZ LYS 53 12.798 -0.777 -7.994 417 HZ3 LYS 53 2HZ LYS 53 13.179 -2.152 -7.182 418 H GLU 54 H GLU 54 17.473 -0.091 -1.075 419 HA GLU 54 HA GLU 54 17.985 -2.454 0.400 420 HB2 GLU 54 2HB GLU 54 19.263 0.309 0.714 421 HB3 GLU 54 3HB GLU 54 19.926 -1.204 1.357 422 HG2 GLU 54 2HG GLU 54 19.948 -2.100 -0.941 423 HG3 GLU 54 3HG GLU 54 19.519 -0.510 -1.562 424 H ARG 55 H ARG 55 16.906 0.716 1.521 425 HA ARG 55 HA ARG 55 17.243 0.181 4.361 426 HB2 ARG 55 2HB ARG 55 15.838 2.313 2.758 427 HB3 ARG 55 3HB ARG 55 15.323 2.046 4.394 428 HG2 ARG 55 2HG ARG 55 17.018 3.759 4.529 429 HG3 ARG 55 3HG ARG 55 17.779 2.268 5.141 430 HD2 ARG 55 2HD ARG 55 18.412 1.887 2.717 431 HD3 ARG 55 3HD ARG 55 17.970 3.575 2.399 432 HE ARG 55 HE ARG 55 19.817 3.686 4.444 433 HH11 ARG 55 1HH1 ARG 55 19.700 2.379 1.140 434 HH12 ARG 55 2HH1 ARG 55 21.401 2.172 0.960 435 HH21 ARG 55 1HH2 ARG 55 22.051 3.744 4.153 436 HH22 ARG 55 2HH2 ARG 55 22.749 3.458 2.570 437 H LEU 56 H LEU 56 14.512 -0.083 2.206 438 HA LEU 56 HA LEU 56 12.742 -0.959 4.320 439 HB2 LEU 56 2HB LEU 56 12.494 -1.036 1.311 440 HB3 LEU 56 3HB LEU 56 11.162 -1.201 2.466 441 HG LEU 56 HG LEU 56 12.890 1.322 2.402 442 HD11 LEU 56 1HD1 LEU 56 10.459 0.705 0.751 443 HD12 LEU 56 2HD1 LEU 56 12.077 1.055 0.188 444 HD13 LEU 56 3HD1 LEU 56 11.160 2.330 1.011 445 HD21 LEU 56 3HD2 LEU 56 11.634 1.023 4.424 446 HD22 LEU 56 1HD2 LEU 56 10.124 0.812 3.492 447 HD23 LEU 56 2HD2 LEU 56 11.011 2.364 3.469 448 H LEU 57 H LEU 57 14.994 -2.622 2.122 449 HA LEU 57 HA LEU 57 13.796 -5.255 2.643 450 HB2 LEU 57 2HB LEU 57 16.291 -4.208 1.262 451 HB3 LEU 57 3HB LEU 57 16.187 -5.908 1.698 452 HG LEU 57 HG LEU 57 13.972 -4.633 0.057 453 HD11 LEU 57 1HD1 LEU 57 16.018 -4.176 -1.142 454 HD12 LEU 57 2HD1 LEU 57 15.276 -5.615 -1.922 455 HD13 LEU 57 3HD1 LEU 57 16.648 -5.801 -0.831 456 HD21 LEU 57 3HD2 LEU 57 13.585 -6.908 1.049 457 HD22 LEU 57 1HD2 LEU 57 15.001 -7.496 0.181 458 HD23 LEU 57 2HD2 LEU 57 13.603 -6.895 -0.727 459 H ALA 58 H ALA 58 16.493 -3.206 3.889 460 HA ALA 58 HA ALA 58 17.426 -5.312 5.707 461 HB1 ALA 58 1HB ALA 58 19.011 -3.791 4.507 462 HB2 ALA 58 2HB ALA 58 18.305 -2.408 5.379 463 HB3 ALA 58 3HB ALA 58 19.156 -3.680 6.274 464 H ALA 59 H ALA 59 14.774 -3.441 5.747 465 HA ALA 59 HA ALA 59 14.795 -2.108 8.297 466 HB1 ALA 59 1HB ALA 59 13.172 -1.503 6.559 467 HB2 ALA 59 2HB ALA 59 12.618 -3.199 6.442 468 HB3 ALA 59 3HB ALA 59 12.260 -2.268 7.884 469 H SER 60 H SER 60 13.660 -2.866 10.234 470 HA SER 60 HA SER 60 13.176 -5.798 10.293 471 HB2 SER 60 2HB SER 60 15.390 -5.113 11.305 472 HB3 SER 60 3HB SER 60 14.474 -4.251 12.547 473 HG SER 60 HG SER 60 15.045 -6.319 13.163 474 H HIS 61 H HIS 61 11.085 -5.387 9.893 475 HA HIS 61 HA HIS 61 9.520 -4.351 12.185 476 HB2 HIS 61 2HB HIS 61 9.808 -2.858 9.905 477 HB3 HIS 61 3HB HIS 61 8.548 -3.932 9.384 478 HD1 HIS 61 1HD HIS 61 7.089 -3.867 12.487 479 HD2 HIS 61 2HD HIS 61 8.320 -0.712 9.983 480 HE1 HIS 61 1HE HIS 61 5.432 -2.009 12.826 481 H HIS 62 H HIS 62 7.878 -5.889 12.753 482 HA HIS 62 HA HIS 62 7.784 -8.381 11.380 483 HB2 HIS 62 2HB HIS 62 6.131 -9.018 12.907 484 HB3 HIS 62 3HB HIS 62 7.122 -7.863 13.790 485 HD1 HIS 62 1HD HIS 62 5.873 -5.642 14.648 486 HD2 HIS 62 2HD HIS 62 3.626 -8.254 12.209 487 HE1 HIS 62 1HE HIS 62 3.511 -4.725 14.605 488 H LEU 63 H LEU 63 6.200 -5.372 10.671 489 HA LEU 63 HA LEU 63 3.929 -6.482 9.207 490 HB2 LEU 63 2HB LEU 63 5.222 -3.728 9.337 491 HB3 LEU 63 3HB LEU 63 3.807 -4.087 8.349 492 HG LEU 63 HG LEU 63 3.968 -4.242 11.385 493 HD11 LEU 63 1HD1 LEU 63 2.435 -2.324 11.327 494 HD12 LEU 63 2HD1 LEU 63 2.469 -2.324 9.550 495 HD13 LEU 63 3HD1 LEU 63 3.937 -1.942 10.475 496 HD21 LEU 63 3HD2 LEU 63 1.505 -4.565 11.316 497 HD22 LEU 63 1HD2 LEU 63 2.377 -5.930 10.608 498 HD23 LEU 63 2HD2 LEU 63 1.582 -4.738 9.544 499 H ILE 64 H ILE 64 7.341 -5.932 8.567 500 HA ILE 64 HA ILE 64 6.934 -6.150 5.664 501 HB ILE 64 HB ILE 64 9.422 -5.442 7.293 502 HG12 ILE 64 2HG1 ILE 64 7.456 -3.702 5.782 503 HG13 ILE 64 3HG1 ILE 64 7.618 -3.718 7.500 504 HG21 ILE 64 1HG2 ILE 64 10.001 -6.361 5.037 505 HG22 ILE 64 2HG2 ILE 64 8.928 -5.154 4.278 506 HG23 ILE 64 3HG2 ILE 64 10.402 -4.686 5.155 507 HD11 ILE 64 3HD1 ILE 64 9.935 -2.847 7.289 508 HD12 ILE 64 1HD1 ILE 64 9.670 -2.662 5.531 509 HD13 ILE 64 2HD1 ILE 64 8.660 -1.771 6.658 510 H SER 65 H SER 65 8.302 -7.677 4.571 511 HA SER 65 HA SER 65 9.062 -10.085 6.150 512 HB2 SER 65 2HB SER 65 6.857 -9.906 4.490 513 HB3 SER 65 3HB SER 65 8.078 -10.465 3.366 514 HG SER 65 HG SER 65 6.718 -11.906 5.028 515 H SER 66 H SER 66 11.007 -10.995 5.466 516 HA SER 66 HA SER 66 12.971 -9.454 4.388 517 HB2 SER 66 2HB SER 66 12.785 -12.483 4.329 518 HB3 SER 66 3HB SER 66 14.268 -11.512 4.394 519 HG SER 66 HG SER 66 13.664 -10.761 6.409 520 H ASP 67 H ASP 67 10.527 -11.132 2.510 521 HA ASP 67 HA ASP 67 12.020 -11.536 0.096 522 HB2 ASP 67 2HB ASP 67 9.896 -12.622 0.424 523 HB3 ASP 67 3HB ASP 67 9.062 -11.071 0.615 524 H GLY 68 H GLY 68 10.516 -8.707 1.580 525 HA2 GLY 68 2HA GLY 68 11.358 -6.522 1.092 526 HA3 GLY 68 3HA GLY 68 11.438 -6.954 -0.633 527 H VAL 69 H VAL 69 8.848 -7.488 1.825 528 HA VAL 69 HA VAL 69 7.057 -5.757 0.213 529 HB VAL 69 HB VAL 69 6.371 -8.513 1.324 530 HG11 VAL 69 1HG1 VAL 69 4.789 -6.594 -0.443 531 HG12 VAL 69 2HG1 VAL 69 4.329 -8.250 -0.037 532 HG13 VAL 69 3HG1 VAL 69 4.414 -7.043 1.243 533 HG21 VAL 69 3HG2 VAL 69 7.795 -8.981 -0.497 534 HG22 VAL 69 1HG2 VAL 69 6.158 -9.089 -1.168 535 HG23 VAL 69 2HG2 VAL 69 7.141 -7.662 -1.479 536 H ILE 70 H ILE 70 5.695 -4.575 1.392 537 HA ILE 70 HA ILE 70 5.798 -4.744 4.367 538 HB ILE 70 HB ILE 70 4.937 -2.381 2.635 539 HG12 ILE 70 2HG1 ILE 70 7.690 -3.082 3.688 540 HG13 ILE 70 3HG1 ILE 70 7.187 -2.657 2.060 541 HG21 ILE 70 1HG2 ILE 70 5.683 -2.557 5.585 542 HG22 ILE 70 2HG2 ILE 70 5.139 -1.108 4.733 543 HG23 ILE 70 3HG2 ILE 70 4.039 -2.454 4.964 544 HD11 ILE 70 3HD1 ILE 70 8.444 -0.837 2.995 545 HD12 ILE 70 1HD1 ILE 70 6.755 -0.325 2.815 546 HD13 ILE 70 2HD1 ILE 70 7.405 -0.754 4.420 547 H VAL 71 H VAL 71 3.886 -5.416 5.336 548 HA VAL 71 HA VAL 71 1.396 -5.468 3.685 549 HB VAL 71 HB VAL 71 2.308 -7.374 5.874 550 HG11 VAL 71 1HG1 VAL 71 -0.134 -7.149 5.771 551 HG12 VAL 71 2HG1 VAL 71 -0.100 -7.404 4.014 552 HG13 VAL 71 3HG1 VAL 71 0.356 -8.720 5.123 553 HG21 VAL 71 3HG2 VAL 71 2.487 -9.059 4.053 554 HG22 VAL 71 1HG2 VAL 71 2.202 -7.784 2.849 555 HG23 VAL 71 2HG2 VAL 71 3.666 -7.768 3.857 556 H ILE 72 H ILE 72 -0.249 -4.261 4.508 557 HA ILE 72 HA ILE 72 -0.281 -3.549 7.390 558 HB ILE 72 HB ILE 72 -0.738 -1.692 5.054 559 HG12 ILE 72 2HG1 ILE 72 1.289 -1.561 7.336 560 HG13 ILE 72 3HG1 ILE 72 1.664 -2.164 5.727 561 HG21 ILE 72 1HG2 ILE 72 -1.057 -1.082 8.042 562 HG22 ILE 72 2HG2 ILE 72 -1.216 0.079 6.715 563 HG23 ILE 72 3HG2 ILE 72 -2.392 -1.201 6.872 564 HD11 ILE 72 3HD1 ILE 72 2.401 0.001 5.651 565 HD12 ILE 72 1HD1 ILE 72 0.852 0.039 4.804 566 HD13 ILE 72 2HD1 ILE 72 0.963 0.661 6.471 567 H LYS 73 H LYS 73 -2.384 -3.598 8.271 568 HA LYS 73 HA LYS 73 -4.610 -4.153 6.412 569 HB2 LYS 73 2HB LYS 73 -4.300 -5.699 9.006 570 HB3 LYS 73 3HB LYS 73 -5.391 -5.970 7.661 571 HG2 LYS 73 2HG LYS 73 -3.475 -6.585 6.186 572 HG3 LYS 73 3HG LYS 73 -2.366 -6.337 7.544 573 HD2 LYS 73 2HD LYS 73 -3.581 -8.100 8.812 574 HD3 LYS 73 3HD LYS 73 -4.484 -8.488 7.330 575 HE2 LYS 73 2HE LYS 73 -2.579 -9.302 6.214 576 HE3 LYS 73 3HE LYS 73 -1.472 -8.305 7.153 577 HZ1 LYS 73 3HZ LYS 73 -1.159 -10.461 7.932 578 HZ2 LYS 73 1HZ LYS 73 -2.769 -10.809 8.000 579 HZ3 LYS 73 2HZ LYS 73 -2.074 -9.773 9.090 580 H ALA 74 H ALA 74 -5.592 -2.172 6.654 581 HA ALA 74 HA ALA 74 -5.705 -0.899 9.339 582 HB1 ALA 74 1HB ALA 74 -5.006 0.547 7.499 583 HB2 ALA 74 2HB ALA 74 -6.463 0.125 6.578 584 HB3 ALA 74 3HB ALA 74 -6.602 1.051 8.072 585 H GLN 75 H GLN 75 -7.569 -0.767 10.485 586 HA GLN 75 HA GLN 75 -10.167 -1.352 9.257 587 HB2 GLN 75 2HB GLN 75 -9.583 -2.877 11.808 588 HB3 GLN 75 3HB GLN 75 -10.795 -3.130 10.579 589 HG2 GLN 75 2HG GLN 75 -9.391 -4.944 10.251 590 HG3 GLN 75 3HG GLN 75 -8.802 -3.825 9.061 591 HE21 GLN 75 1HE2 GLN 75 -7.108 -5.552 9.290 592 HE22 GLN 75 2HE2 GLN 75 -5.748 -4.878 10.160 593 H GLU 76 H GLU 76 -11.267 0.377 9.906 594 HA GLU 76 HA GLU 76 -11.567 1.092 12.744 595 HB2 GLU 76 2HB GLU 76 -10.332 3.016 10.716 596 HB3 GLU 76 3HB GLU 76 -11.243 3.558 12.130 597 HG2 GLU 76 2HG GLU 76 -9.639 2.243 13.587 598 HG3 GLU 76 3HG GLU 76 -8.645 2.010 12.128 599 H TYR 77 H TYR 77 -12.174 1.815 9.275 600 HA TYR 77 HA TYR 77 -14.782 3.003 9.850 601 HB2 TYR 77 2HB TYR 77 -13.304 2.374 7.255 602 HB3 TYR 77 3HB TYR 77 -14.788 3.306 7.389 603 HD1 TYR 77 1HD TYR 77 -11.129 3.312 8.269 604 HD2 TYR 77 2HD TYR 77 -14.766 5.633 7.939 605 HE1 TYR 77 1HE TYR 77 -9.860 5.365 8.722 606 HE2 TYR 77 2HE TYR 77 -13.468 7.706 8.235 607 HH TYR 77 HH TYR 77 -11.234 8.619 8.385 608 H ARG 78 H ARG 78 -16.692 2.210 8.707 609 HA ARG 78 HA ARG 78 -16.776 -0.751 8.691 610 HB2 ARG 78 2HB ARG 78 -18.502 0.830 9.807 611 HB3 ARG 78 3HB ARG 78 -19.137 1.036 8.168 612 HG2 ARG 78 2HG ARG 78 -18.719 -1.785 8.583 613 HG3 ARG 78 3HG ARG 78 -19.477 -1.156 10.028 614 HD2 ARG 78 2HD ARG 78 -20.589 -0.565 7.258 615 HD3 ARG 78 3HD ARG 78 -20.944 -2.073 8.117 616 HE ARG 78 HE ARG 78 -21.435 0.128 9.861 617 HH11 ARG 78 1HH1 ARG 78 -22.835 -1.361 6.961 618 HH12 ARG 78 2HH1 ARG 78 -24.473 -1.108 7.422 619 HH21 ARG 78 1HH2 ARG 78 -23.635 0.423 10.550 620 HH22 ARG 78 2HH2 ARG 78 -24.937 -0.081 9.522 621 H SER 79 H SER 79 -16.223 1.703 6.336 622 HA SER 79 HA SER 79 -17.481 0.091 4.204 623 HB2 SER 79 2HB SER 79 -16.355 2.909 4.323 624 HB3 SER 79 3HB SER 79 -16.831 2.115 2.811 625 HG SER 79 HG SER 79 -18.435 3.445 3.862 626 H GLN 80 H GLN 80 -16.303 -1.085 2.869 627 HA GLN 80 HA GLN 80 -13.475 -1.503 3.215 628 HB2 GLN 80 2HB GLN 80 -15.589 -2.997 2.297 629 HB3 GLN 80 3HB GLN 80 -14.944 -2.521 0.771 630 HG2 GLN 80 2HG GLN 80 -13.062 -3.838 1.012 631 HG3 GLN 80 3HG GLN 80 -12.909 -3.497 2.732 632 HE21 GLN 80 1HE2 GLN 80 -12.758 -5.495 3.647 633 HE22 GLN 80 2HE2 GLN 80 -13.956 -6.752 3.472 634 H GLU 81 H GLU 81 -14.321 1.206 2.420 635 HA GLU 81 HA GLU 81 -12.822 1.694 -0.086 636 HB2 GLU 81 2HB GLU 81 -15.392 1.919 -0.212 637 HB3 GLU 81 3HB GLU 81 -15.241 3.275 0.896 638 HG2 GLU 81 2HG GLU 81 -15.400 4.058 -1.408 639 HG3 GLU 81 3HG GLU 81 -13.821 4.476 -0.753 640 H LEU 82 H LEU 82 -13.617 2.629 3.258 641 HA LEU 82 HA LEU 82 -11.802 4.976 3.080 642 HB2 LEU 82 2HB LEU 82 -13.553 3.956 5.337 643 HB3 LEU 82 3HB LEU 82 -12.645 5.472 5.328 644 HG LEU 82 HG LEU 82 -14.996 4.754 3.526 645 HD11 LEU 82 1HD1 LEU 82 -15.676 5.213 5.816 646 HD12 LEU 82 2HD1 LEU 82 -16.184 6.522 4.741 647 HD13 LEU 82 3HD1 LEU 82 -14.780 6.761 5.787 648 HD21 LEU 82 3HD2 LEU 82 -14.892 7.135 2.814 649 HD22 LEU 82 1HD2 LEU 82 -13.494 6.209 2.278 650 HD23 LEU 82 2HD2 LEU 82 -13.349 7.306 3.675 651 H ASN 83 H ASN 83 -11.834 1.658 4.123 652 HA ASN 83 HA ASN 83 -9.700 2.014 6.105 653 HB2 ASN 83 2HB ASN 83 -11.017 -0.432 4.882 654 HB3 ASN 83 3HB ASN 83 -9.589 -0.546 5.918 655 HD21 ASN 83 1HD2 ASN 83 -12.791 -1.179 6.243 656 HD22 ASN 83 2HD2 ASN 83 -13.059 -0.470 7.787 657 H ARG 84 H ARG 84 -9.845 1.614 2.659 658 HA ARG 84 HA ARG 84 -7.177 0.526 2.264 659 HB2 ARG 84 2HB ARG 84 -7.512 1.434 -0.083 660 HB3 ARG 84 3HB ARG 84 -8.624 0.183 0.429 661 HG2 ARG 84 2HG ARG 84 -10.433 1.634 0.693 662 HG3 ARG 84 3HG ARG 84 -9.399 3.066 0.710 663 HD2 ARG 84 2HD ARG 84 -9.990 3.378 -1.323 664 HD3 ARG 84 3HD ARG 84 -8.825 2.127 -1.775 665 HE ARG 84 HE ARG 84 -11.617 2.202 -2.141 666 HH11 ARG 84 1HH1 ARG 84 -9.021 -0.173 -1.827 667 HH12 ARG 84 2HH1 ARG 84 -9.987 -1.507 -2.363 668 HH21 ARG 84 1HH2 ARG 84 -12.844 0.562 -2.940 669 HH22 ARG 84 2HH2 ARG 84 -12.196 -1.038 -3.204 670 H GLU 85 H GLU 85 -8.445 3.928 2.136 671 HA GLU 85 HA GLU 85 -5.804 4.887 1.816 672 HB2 GLU 85 2HB GLU 85 -6.778 7.112 2.168 673 HB3 GLU 85 3HB GLU 85 -7.653 6.147 0.973 674 HG2 GLU 85 2HG GLU 85 -9.361 5.580 2.698 675 HG3 GLU 85 3HG GLU 85 -8.435 6.563 3.852 676 H ALA 86 H ALA 86 -7.614 3.913 4.672 677 HA ALA 86 HA ALA 86 -6.018 5.382 6.527 678 HB1 ALA 86 1HB ALA 86 -8.230 4.435 7.089 679 HB2 ALA 86 2HB ALA 86 -7.589 2.789 6.891 680 HB3 ALA 86 3HB ALA 86 -6.978 3.832 8.192 681 H ALA 87 H ALA 87 -5.404 2.560 4.568 682 HA ALA 87 HA ALA 87 -3.242 1.549 6.272 683 HB1 ALA 87 1HB ALA 87 -4.160 0.691 3.501 684 HB2 ALA 87 2HB ALA 87 -2.955 -0.127 4.521 685 HB3 ALA 87 3HB ALA 87 -4.650 -0.054 5.033 686 H LEU 88 H LEU 88 -3.635 3.465 3.244 687 HA LEU 88 HA LEU 88 -0.854 3.449 2.599 688 HB2 LEU 88 2HB LEU 88 -1.270 4.899 0.904 689 HB3 LEU 88 3HB LEU 88 -2.833 4.164 1.125 690 HG LEU 88 HG LEU 88 -3.228 6.333 2.673 691 HD11 LEU 88 1HD1 LEU 88 -0.923 7.255 2.396 692 HD12 LEU 88 2HD1 LEU 88 -2.182 8.335 1.752 693 HD13 LEU 88 3HD1 LEU 88 -1.199 7.351 0.650 694 HD21 LEU 88 3HD2 LEU 88 -3.306 6.685 -0.328 695 HD22 LEU 88 1HD2 LEU 88 -4.396 7.374 0.908 696 HD23 LEU 88 2HD2 LEU 88 -4.445 5.656 0.514 697 H ALA 89 H ALA 89 -2.746 5.551 4.777 698 HA ALA 89 HA ALA 89 -0.757 7.468 5.330 699 HB1 ALA 89 1HB ALA 89 -3.102 7.671 6.071 700 HB2 ALA 89 2HB ALA 89 -2.883 6.311 7.196 701 HB3 ALA 89 3HB ALA 89 -1.994 7.826 7.442 702 H ARG 90 H ARG 90 -1.399 4.337 6.937 703 HA ARG 90 HA ARG 90 0.708 4.421 8.846 704 HB2 ARG 90 2HB ARG 90 -0.755 2.122 7.487 705 HB3 ARG 90 3HB ARG 90 0.312 1.908 8.862 706 HG2 ARG 90 2HG ARG 90 -1.131 3.150 10.312 707 HG3 ARG 90 3HG ARG 90 -2.134 3.716 8.954 708 HD2 ARG 90 2HD ARG 90 -2.898 1.476 8.482 709 HD3 ARG 90 3HD ARG 90 -1.811 0.795 9.689 710 HE ARG 90 HE ARG 90 -4.312 2.347 10.135 711 HH11 ARG 90 1HH1 ARG 90 -1.493 0.809 11.707 712 HH12 ARG 90 2HH1 ARG 90 -2.225 0.829 13.271 713 HH21 ARG 90 1HH2 ARG 90 -5.286 2.228 12.086 714 HH22 ARG 90 2HH2 ARG 90 -4.519 1.549 13.510 715 H LEU 91 H LEU 91 0.646 3.377 5.438 716 HA LEU 91 HA LEU 91 3.149 2.003 5.463 717 HB2 LEU 91 2HB LEU 91 1.414 1.745 3.648 718 HB3 LEU 91 3HB LEU 91 1.660 3.406 3.176 719 HG LEU 91 HG LEU 91 3.930 2.975 2.528 720 HD11 LEU 91 1HD1 LEU 91 3.411 0.145 3.481 721 HD12 LEU 91 2HD1 LEU 91 4.710 1.247 3.989 722 HD13 LEU 91 3HD1 LEU 91 4.726 0.558 2.364 723 HD21 LEU 91 3HD2 LEU 91 3.532 1.743 0.531 724 HD22 LEU 91 1HD2 LEU 91 2.035 2.589 0.926 725 HD23 LEU 91 2HD2 LEU 91 2.198 0.844 1.262 726 H VAL 92 H VAL 92 2.280 5.276 4.457 727 HA VAL 92 HA VAL 92 4.826 6.189 3.785 728 HB VAL 92 HB VAL 92 2.633 7.813 5.150 729 HG11 VAL 92 1HG1 VAL 92 4.702 9.113 5.253 730 HG12 VAL 92 2HG1 VAL 92 5.094 8.717 3.577 731 HG13 VAL 92 3HG1 VAL 92 3.713 9.763 3.936 732 HG21 VAL 92 3HG2 VAL 92 2.063 8.490 2.838 733 HG22 VAL 92 1HG2 VAL 92 3.362 7.432 2.240 734 HG23 VAL 92 2HG2 VAL 92 1.930 6.736 3.003 735 H ALA 93 H ALA 93 3.394 6.036 7.048 736 HA ALA 93 HA ALA 93 5.315 7.485 8.493 737 HB1 ALA 93 1HB ALA 93 4.379 6.403 10.474 738 HB2 ALA 93 2HB ALA 93 3.092 6.931 9.363 739 HB3 ALA 93 3HB ALA 93 3.542 5.210 9.464 740 H MET 94 H MET 94 5.035 3.920 8.371 741 HA MET 94 HA MET 94 7.521 3.383 9.701 742 HB2 MET 94 2HB MET 94 7.238 1.112 8.859 743 HB3 MET 94 3HB MET 94 5.724 1.749 9.521 744 HG2 MET 94 2HG MET 94 5.071 2.364 7.159 745 HG3 MET 94 3HG MET 94 6.445 1.418 6.600 746 HE1 MET 94 3HE MET 94 5.274 -2.175 7.761 747 HE2 MET 94 1HE MET 94 6.679 -1.105 7.517 748 HE3 MET 94 2HE MET 94 5.802 -1.105 9.068 749 H ILE 95 H ILE 95 6.814 4.015 6.210 750 HA ILE 95 HA ILE 95 9.396 3.208 5.300 751 HB ILE 95 HB ILE 95 7.306 5.156 4.292 752 HG12 ILE 95 2HG1 ILE 95 8.410 2.571 3.106 753 HG13 ILE 95 3HG1 ILE 95 7.079 2.582 4.267 754 HG21 ILE 95 1HG2 ILE 95 9.452 6.106 3.496 755 HG22 ILE 95 2HG2 ILE 95 9.933 4.518 2.864 756 HG23 ILE 95 3HG2 ILE 95 8.564 5.403 2.165 757 HD11 ILE 95 3HD1 ILE 95 7.037 3.951 1.556 758 HD12 ILE 95 1HD1 ILE 95 6.149 2.514 2.047 759 HD13 ILE 95 2HD1 ILE 95 5.793 4.094 2.796 760 H LYS 96 H LYS 96 8.180 6.326 6.597 761 HA LYS 96 HA LYS 96 10.648 7.740 6.111 762 HB2 LYS 96 2HB LYS 96 8.262 8.195 7.935 763 HB3 LYS 96 3HB LYS 96 9.638 9.281 7.948 764 HG2 LYS 96 2HG LYS 96 9.307 9.849 5.600 765 HG3 LYS 96 3HG LYS 96 8.009 8.651 5.437 766 HD2 LYS 96 2HD LYS 96 6.617 9.844 7.057 767 HD3 LYS 96 3HD LYS 96 7.953 10.931 7.434 768 HE2 LYS 96 2HE LYS 96 7.874 11.598 4.921 769 HE3 LYS 96 3HE LYS 96 6.259 10.858 4.935 770 HZ1 LYS 96 3HZ LYS 96 6.077 13.184 5.456 771 HZ2 LYS 96 1HZ LYS 96 7.248 13.093 6.598 772 HZ3 LYS 96 2HZ LYS 96 5.786 12.366 6.852 773 H GLU 97 H GLU 97 9.614 5.610 8.730 774 HA GLU 97 HA GLU 97 11.648 6.420 10.609 775 HB2 GLU 97 2HB GLU 97 9.839 3.989 10.302 776 HB3 GLU 97 3HB GLU 97 11.012 4.128 11.584 777 HG2 GLU 97 2HG GLU 97 9.949 6.212 12.363 778 HG3 GLU 97 3HG GLU 97 8.714 6.061 11.099 779 H LEU 98 H LEU 98 11.186 3.561 8.547 780 HA LEU 98 HA LEU 98 13.672 2.299 8.993 781 HB2 LEU 98 2HB LEU 98 11.818 2.194 6.604 782 HB3 LEU 98 3HB LEU 98 13.078 0.994 6.958 783 HG LEU 98 HG LEU 98 10.805 1.690 8.855 784 HD11 LEU 98 1HD1 LEU 98 9.854 0.852 6.796 785 HD12 LEU 98 2HD1 LEU 98 9.698 -0.350 8.087 786 HD13 LEU 98 3HD1 LEU 98 10.947 -0.546 6.824 787 HD21 LEU 98 3HD2 LEU 98 11.316 -0.630 9.791 788 HD22 LEU 98 1HD2 LEU 98 12.422 0.703 10.175 789 HD23 LEU 98 2HD2 LEU 98 12.885 -0.463 8.948 790 H THR 99 H THR 99 13.107 5.044 7.237 791 HA THR 99 HA THR 99 15.677 4.753 5.673 792 HB THR 99 HB THR 99 14.859 6.724 4.347 793 HG1 THR 99 1HG THR 99 12.330 6.030 5.421 794 HG21 THR 99 3HG2 THR 99 13.199 4.163 4.342 795 HG22 THR 99 1HG2 THR 99 14.718 4.459 3.469 796 HG23 THR 99 2HG2 THR 99 13.260 5.353 3.026 797 H THR 100 H THR 100 14.371 6.378 8.475 798 HA THR 100 HA THR 100 16.569 8.374 8.371 799 HB THR 100 HB THR 100 14.167 9.081 8.745 800 HG1 THR 100 1HG THR 100 15.534 10.615 9.112 801 HG21 THR 100 3HG2 THR 100 13.544 7.450 10.511 802 HG22 THR 100 1HG2 THR 100 13.327 9.121 11.023 803 HG23 THR 100 2HG2 THR 100 14.722 8.186 11.604 804 H GLU 101 H GLU 101 16.036 5.275 9.662 805 HA GLU 101 HA GLU 101 17.445 5.503 12.145 806 HB2 GLU 101 2HB GLU 101 17.383 3.076 12.121 807 HB3 GLU 101 3HB GLU 101 15.815 3.767 11.775 808 HG2 GLU 101 2HG GLU 101 15.801 3.081 9.553 809 HG3 GLU 101 3HG GLU 101 17.555 2.994 9.430 810 H LYS 102 H LYS 102 18.936 6.802 10.258 811 HA LYS 102 HA LYS 102 21.157 5.380 9.157 812 HB2 LYS 102 2HB LYS 102 20.230 7.581 8.373 813 HB3 LYS 102 3HB LYS 102 20.792 8.332 9.859 814 HG2 LYS 102 2HG LYS 102 22.311 8.837 8.070 815 HG3 LYS 102 3HG LYS 102 23.153 7.807 9.218 816 HD2 LYS 102 2HD LYS 102 21.757 6.399 6.947 817 HD3 LYS 102 3HD LYS 102 23.090 7.457 6.509 818 HE2 LYS 102 2HE LYS 102 24.572 6.282 8.141 819 HE3 LYS 102 3HE LYS 102 23.250 5.163 8.526 820 HZ1 LYS 102 3HZ LYS 102 23.282 4.422 6.266 821 HZ2 LYS 102 1HZ LYS 102 24.781 4.257 6.873 822 HZ3 LYS 102 2HZ LYS 102 24.470 5.530 5.869 823 H LYS 103 H LYS 103 20.824 7.497 12.086 824 HA LYS 103 HA LYS 103 22.557 5.908 13.665 825 HB2 LYS 103 2HB LYS 103 24.077 7.439 11.997 826 HB3 LYS 103 3HB LYS 103 23.673 8.696 13.127 827 HG2 LYS 103 2HG LYS 103 25.824 7.747 13.667 828 HG3 LYS 103 3HG LYS 103 24.700 7.334 14.967 829 HD2 LYS 103 2HD LYS 103 24.502 5.054 14.187 830 HD3 LYS 103 3HD LYS 103 25.220 5.481 12.617 831 HE2 LYS 103 2HE LYS 103 27.373 5.930 13.714 832 HE3 LYS 103 3HE LYS 103 26.689 5.429 15.270 833 HZ1 LYS 103 3HZ LYS 103 26.644 3.641 12.931 834 HZ2 LYS 103 1HZ LYS 103 26.524 3.231 14.520 835 HZ3 LYS 103 2HZ LYS 103 27.963 3.721 13.917 836 H ALA 104 H ALA 104 22.137 6.509 15.884 837 HA ALA 104 HA ALA 104 19.974 8.404 16.254 838 HB1 ALA 104 1HB ALA 104 20.295 6.368 17.663 839 HB2 ALA 104 2HB ALA 104 21.779 7.089 18.339 840 HB3 ALA 104 3HB ALA 104 20.200 7.854 18.608 841 H ARG 105 H ARG 105 23.498 8.378 16.821 842 HA ARG 105 HA ARG 105 23.648 11.029 17.952 843 HB2 ARG 105 2HB ARG 105 25.327 9.052 18.154 844 HB3 ARG 105 3HB ARG 105 25.857 9.471 16.528 845 HG2 ARG 105 2HG ARG 105 27.393 10.524 17.972 846 HG3 ARG 105 3HG ARG 105 26.323 11.829 17.467 847 HD2 ARG 105 2HD ARG 105 25.001 11.370 19.643 848 HD3 ARG 105 3HD ARG 105 26.333 10.293 20.101 849 HE ARG 105 HE ARG 105 27.053 13.031 19.291 850 HH11 ARG 105 1HH1 ARG 105 26.113 11.016 22.132 851 HH12 ARG 105 2HH1 ARG 105 26.723 12.175 23.238 852 HH21 ARG 105 1HH2 ARG 105 27.847 14.503 20.864 853 HH22 ARG 105 2HH2 ARG 105 27.681 14.086 22.557 854 H ARG 106 H ARG 106 24.263 13.007 16.891 855 HA ARG 106 HA ARG 106 23.825 13.014 13.939 856 HB2 ARG 106 2HB ARG 106 23.684 15.122 16.121 857 HB3 ARG 106 3HB ARG 106 23.585 15.539 14.424 858 HG2 ARG 106 2HG ARG 106 21.648 13.586 15.734 859 HG3 ARG 106 3HG ARG 106 21.392 15.333 15.685 860 HD2 ARG 106 2HD ARG 106 21.522 15.278 13.198 861 HD3 ARG 106 3HD ARG 106 21.622 13.518 13.252 862 HE ARG 106 HE ARG 106 19.381 15.164 14.351 863 HH11 ARG 106 1HH1 ARG 106 20.265 12.093 12.732 864 HH12 ARG 106 2HH1 ARG 106 18.606 11.636 12.493 865 HH21 ARG 106 1HH2 ARG 106 17.369 14.546 14.152 866 HH22 ARG 106 2HH2 ARG 106 16.865 13.161 13.217 867 HA PRO 107 HA PRO 107 28.107 14.145 13.374 868 HB2 PRO 107 2HB PRO 107 28.074 15.566 11.041 869 HB3 PRO 107 3HB PRO 107 27.709 13.821 11.096 870 HG2 PRO 107 2HG PRO 107 25.759 16.125 10.953 871 HG3 PRO 107 3HG PRO 107 25.725 14.576 10.064 872 HD2 PRO 107 2HD PRO 107 24.261 15.090 12.357 873 HD3 PRO 107 3HD PRO 107 24.790 13.454 11.878 874 H THR 108 H THR 108 28.446 15.513 15.234 875 HA THR 108 HA THR 108 27.621 18.361 15.046 876 HB THR 108 HB THR 108 28.786 16.673 17.291 877 HG1 THR 108 1HG THR 108 26.156 17.605 16.774 878 HG21 THR 108 3HG2 THR 108 27.613 19.477 17.412 879 HG22 THR 108 1HG2 THR 108 29.312 19.030 17.689 880 HG23 THR 108 2HG2 THR 108 28.071 18.463 18.798 881 H ARG 109 H ARG 109 30.494 16.283 15.126 882 HA ARG 109 HA ARG 109 32.230 18.677 14.674 883 HB2 ARG 109 2HB ARG 109 32.429 17.278 16.887 884 HB3 ARG 109 3HB ARG 109 33.075 16.011 15.859 885 HG2 ARG 109 2HG ARG 109 34.728 18.128 15.153 886 HG3 ARG 109 3HG ARG 109 34.253 18.632 16.761 887 HD2 ARG 109 2HD ARG 109 36.345 17.367 16.834 888 HD3 ARG 109 3HD ARG 109 35.068 16.493 17.686 889 HE ARG 109 HE ARG 109 35.788 15.886 14.839 890 HH11 ARG 109 1HH1 ARG 109 35.704 14.628 18.194 891 HH12 ARG 109 2HH1 ARG 109 35.385 13.007 17.696 892 HH21 ARG 109 1HH2 ARG 109 35.380 13.745 14.232 893 HH22 ARG 109 2HH2 ARG 109 35.414 12.457 15.370 894 H SER 110 H SER 110 34.415 17.697 13.519 895 HA SER 110 HA SER 110 33.686 16.929 10.921 896 HB2 SER 110 2HB SER 110 36.270 16.455 10.915 897 HB3 SER 110 3HB SER 110 35.698 18.108 11.182 898 HG SER 110 HG SER 110 37.311 17.446 12.683 899 H GLY 111 H GLY 111 34.109 14.884 9.836 900 HA2 GLY 111 2HA GLY 111 34.641 12.502 11.502 901 HA3 GLY 111 3HA GLY 111 33.083 12.587 10.669 902 HA PRO 112 HA PRO 112 35.390 11.067 7.134 903 HB2 PRO 112 2HB PRO 112 33.669 11.547 5.081 904 HB3 PRO 112 3HB PRO 112 33.246 10.402 6.393 905 HG2 PRO 112 2HG PRO 112 32.452 13.318 6.118 906 HG3 PRO 112 3HG PRO 112 31.383 11.915 6.449 907 HD2 PRO 112 2HD PRO 112 32.401 13.519 8.440 908 HD3 PRO 112 3HD PRO 112 32.119 11.764 8.681 909 H SER 113 H SER 113 36.222 11.883 4.936 910 HA SER 113 HA SER 113 37.469 14.446 5.260 911 HB2 SER 113 2HB SER 113 38.276 13.965 2.912 912 HB3 SER 113 3HB SER 113 38.581 12.666 4.073 913 HG SER 113 HG SER 113 37.768 11.805 2.179 914 H SER 114 H SER 114 37.361 16.138 3.388 915 HA SER 114 HA SER 114 34.622 16.598 2.372 916 HB2 SER 114 2HB SER 114 36.463 18.621 3.725 917 HB3 SER 114 3HB SER 114 34.920 18.979 2.937 918 HG SER 114 HG SER 114 34.669 18.796 5.159 919 H GLY 115 H GLY 115 34.820 16.872 0.146 920 HA2 GLY 115 2HA GLY 115 37.459 16.872 -1.073 921 HA3 GLY 115 3HA GLY 115 35.884 16.867 -1.881 922 H GLU 116 H GLU 116 37.864 18.994 0.159 923 HA GLU 116 HA GLU 116 38.016 21.260 0.385 924 HB2 GLU 116 2HB GLU 116 38.821 20.732 -2.485 925 HB3 GLU 116 3HB GLU 116 39.246 22.187 -1.566 926 HG2 GLU 116 2HG GLU 116 40.390 20.831 0.141 927 HG3 GLU 116 3HG GLU 116 39.976 19.348 -0.710 928 H ASN 117 H ASN 117 35.281 20.641 -0.070 929 HA ASN 117 HA ASN 117 34.154 22.430 -1.975 930 HB2 ASN 117 2HB ASN 117 32.002 22.166 -0.716 931 HB3 ASN 117 3HB ASN 117 32.743 20.693 -1.331 932 HD21 ASN 117 1HD2 ASN 117 32.371 18.987 0.088 933 HD22 ASN 117 2HD2 ASN 117 32.377 19.193 1.831 934 H LEU 118 H LEU 118 33.559 24.473 -1.934 935 HA LEU 118 HA LEU 118 34.313 26.139 0.407 936 HB2 LEU 118 2HB LEU 118 34.048 26.857 -2.543 937 HB3 LEU 118 3HB LEU 118 34.433 27.996 -1.260 938 HG LEU 118 HG LEU 118 36.177 25.644 -2.109 939 HD11 LEU 118 1HD1 LEU 118 37.677 27.377 -2.986 940 HD12 LEU 118 2HD1 LEU 118 36.527 28.648 -2.505 941 HD13 LEU 118 3HD1 LEU 118 36.092 27.468 -3.764 942 HD21 LEU 118 3HD2 LEU 118 37.905 26.697 -0.651 943 HD22 LEU 118 1HD2 LEU 118 36.537 26.092 0.272 944 HD23 LEU 118 2HD2 LEU 118 36.685 27.842 -0.043 945 H TYR 119 H TYR 119 32.957 28.179 0.557 946 HA TYR 119 HA TYR 119 30.103 27.729 -0.060 947 HB2 TYR 119 2HB TYR 119 31.316 28.505 2.627 948 HB3 TYR 119 3HB TYR 119 29.597 28.490 2.250 949 HD1 TYR 119 1HD TYR 119 32.592 26.377 2.831 950 HD2 TYR 119 2HD TYR 119 28.362 26.372 1.951 951 HE1 TYR 119 1HE TYR 119 32.561 23.938 3.054 952 HE2 TYR 119 2HE TYR 119 28.303 23.931 2.241 953 HH TYR 119 HH TYR 119 31.332 22.078 2.596 954 H PHE 120 H PHE 120 28.911 29.894 0.425 955 HA PHE 120 HA PHE 120 30.576 32.274 -0.114 956 HB2 PHE 120 2HB PHE 120 27.948 31.539 -1.475 957 HB3 PHE 120 3HB PHE 120 28.850 33.034 -1.686 958 HD1 PHE 120 1HD PHE 120 31.210 32.924 -2.714 959 HD2 PHE 120 2HD PHE 120 28.466 29.590 -2.780 960 HE1 PHE 120 1HE PHE 120 32.529 31.868 -4.531 961 HE2 PHE 120 2HE PHE 120 29.795 28.538 -4.592 962 HZ PHE 120 HZ PHE 120 31.831 29.671 -5.473 963 H GLN 121 H GLN 121 30.025 33.883 1.272 964 HA GLN 121 HA GLN 121 27.849 33.426 3.227 965 HB2 GLN 121 2HB GLN 121 30.145 35.443 3.153 966 HB3 GLN 121 3HB GLN 121 28.973 35.265 4.461 967 HG2 GLN 121 2HG GLN 121 29.799 32.965 4.908 968 HG3 GLN 121 3HG GLN 121 31.006 33.140 3.631 969 HE21 GLN 121 1HE2 GLN 121 31.897 35.824 4.122 970 HE22 GLN 121 2HE2 GLN 121 32.711 35.785 5.692 Start of MODEL 20 1 H1 MET 1 H MET 1 -0.708 8.883 -3.676 2 HA MET 1 HA MET 1 1.003 9.454 -5.330 3 HB2 MET 1 2HB MET 1 0.969 12.205 -4.052 4 HB3 MET 1 3HB MET 1 2.141 11.619 -5.204 5 HG2 MET 1 2HG MET 1 -0.801 12.040 -5.741 6 HG3 MET 1 3HG MET 1 0.569 12.901 -6.437 7 HE1 MET 1 3HE MET 1 2.487 11.581 -7.861 8 HE2 MET 1 1HE MET 1 2.518 10.049 -6.962 9 HE3 MET 1 2HE MET 1 2.196 10.044 -8.705 10 H ILE 2 H ILE 2 0.694 9.211 -1.876 11 HA ILE 2 HA ILE 2 2.241 8.951 -0.219 12 HB ILE 2 HB ILE 2 3.289 6.977 -2.279 13 HG12 ILE 2 2HG1 ILE 2 0.762 6.827 -0.604 14 HG13 ILE 2 3HG1 ILE 2 0.854 6.929 -2.356 15 HG21 ILE 2 1HG2 ILE 2 2.830 6.249 0.604 16 HG22 ILE 2 2HG2 ILE 2 4.028 5.644 -0.534 17 HG23 ILE 2 3HG2 ILE 2 4.263 7.234 0.213 18 HD11 ILE 2 3HD1 ILE 2 1.741 4.687 -2.518 19 HD12 ILE 2 1HD1 ILE 2 1.853 4.557 -0.749 20 HD13 ILE 2 2HD1 ILE 2 0.277 4.689 -1.520 21 H VAL 3 H VAL 3 3.071 11.217 -1.202 22 HA VAL 3 HA VAL 3 5.749 11.148 -2.283 23 HB VAL 3 HB VAL 3 4.456 13.515 -1.054 24 HG11 VAL 3 1HG1 VAL 3 6.759 13.921 -1.471 25 HG12 VAL 3 2HG1 VAL 3 6.622 13.377 -3.142 26 HG13 VAL 3 3HG1 VAL 3 5.781 14.847 -2.616 27 HG21 VAL 3 3HG2 VAL 3 2.768 12.805 -2.491 28 HG22 VAL 3 1HG2 VAL 3 3.556 14.206 -3.190 29 HG23 VAL 3 2HG2 VAL 3 3.903 12.596 -3.829 30 H ILE 4 H ILE 4 7.283 10.327 -1.211 31 HA ILE 4 HA ILE 4 7.402 10.533 1.709 32 HB ILE 4 HB ILE 4 9.454 9.171 -0.034 33 HG12 ILE 4 2HG1 ILE 4 7.301 8.129 -0.535 34 HG13 ILE 4 3HG1 ILE 4 8.379 7.088 0.340 35 HG21 ILE 4 1HG2 ILE 4 10.309 9.544 2.166 36 HG22 ILE 4 2HG2 ILE 4 8.769 9.102 2.922 37 HG23 ILE 4 3HG2 ILE 4 9.768 7.868 2.157 38 HD11 ILE 4 3HD1 ILE 4 7.069 7.604 2.467 39 HD12 ILE 4 1HD1 ILE 4 5.931 8.514 1.431 40 HD13 ILE 4 2HD1 ILE 4 6.166 6.768 1.205 41 H SER 5 H SER 5 9.280 11.595 -1.225 42 HA SER 5 HA SER 5 10.684 13.655 0.385 43 HB2 SER 5 2HB SER 5 12.841 12.936 -0.248 44 HB3 SER 5 3HB SER 5 12.025 11.450 0.256 45 HG SER 5 HG SER 5 13.161 11.225 -1.731 46 H ARG 6 H ARG 6 12.364 14.670 -1.383 47 HA ARG 6 HA ARG 6 10.776 16.168 -3.217 48 HB2 ARG 6 2HB ARG 6 13.022 16.887 -4.146 49 HB3 ARG 6 3HB ARG 6 12.745 17.245 -2.439 50 HG2 ARG 6 2HG ARG 6 14.318 15.586 -1.737 51 HG3 ARG 6 3HG ARG 6 14.260 14.778 -3.305 52 HD2 ARG 6 2HD ARG 6 16.304 15.882 -3.367 53 HD3 ARG 6 3HD ARG 6 15.248 16.926 -4.323 54 HE ARG 6 HE ARG 6 15.436 17.683 -1.513 55 HH11 ARG 6 1HH1 ARG 6 16.990 18.133 -4.697 56 HH12 ARG 6 2HH1 ARG 6 18.226 19.160 -4.064 57 HH21 ARG 6 1HH2 ARG 6 16.936 19.124 -0.758 58 HH22 ARG 6 2HH2 ARG 6 18.117 19.881 -1.769 59 H HIS 7 H HIS 7 12.119 13.005 -3.584 60 HA HIS 7 HA HIS 7 11.542 13.121 -6.518 61 HB2 HIS 7 2HB HIS 7 13.813 11.598 -5.185 62 HB3 HIS 7 3HB HIS 7 13.476 11.705 -6.909 63 HD1 HIS 7 1HD HIS 7 13.292 14.782 -7.406 64 HD2 HIS 7 2HD HIS 7 15.924 13.002 -4.657 65 HE1 HIS 7 1HE HIS 7 15.271 16.348 -7.194 66 H VAL 8 H VAL 8 10.792 11.566 -3.521 67 HA VAL 8 HA VAL 8 9.996 9.082 -4.958 68 HB VAL 8 HB VAL 8 10.512 9.603 -2.009 69 HG11 VAL 8 1HG1 VAL 8 8.779 7.901 -2.272 70 HG12 VAL 8 2HG1 VAL 8 9.733 7.082 -3.528 71 HG13 VAL 8 3HG1 VAL 8 10.286 7.106 -1.835 72 HG21 VAL 8 3HG2 VAL 8 12.104 8.094 -4.123 73 HG22 VAL 8 1HG2 VAL 8 12.622 9.544 -3.244 74 HG23 VAL 8 2HG2 VAL 8 12.429 8.026 -2.373 75 H ALA 9 H ALA 9 7.938 8.959 -5.470 76 HA ALA 9 HA ALA 9 5.807 9.505 -3.613 77 HB1 ALA 9 1HB ALA 9 5.834 11.773 -4.231 78 HB2 ALA 9 2HB ALA 9 6.274 11.407 -5.931 79 HB3 ALA 9 3HB ALA 9 4.641 11.082 -5.321 80 H ILE 10 H ILE 10 4.873 7.556 -3.882 81 HA ILE 10 HA ILE 10 4.903 6.116 -6.436 82 HB ILE 10 HB ILE 10 3.213 5.381 -4.007 83 HG12 ILE 10 2HG1 ILE 10 6.142 4.617 -4.348 84 HG13 ILE 10 3HG1 ILE 10 5.494 5.714 -3.127 85 HG21 ILE 10 1HG2 ILE 10 3.466 3.081 -4.906 86 HG22 ILE 10 2HG2 ILE 10 2.829 4.129 -6.132 87 HG23 ILE 10 3HG2 ILE 10 4.548 3.674 -6.167 88 HD11 ILE 10 3HD1 ILE 10 5.793 3.561 -2.073 89 HD12 ILE 10 1HD1 ILE 10 4.049 3.840 -2.237 90 HD13 ILE 10 2HD1 ILE 10 4.912 2.737 -3.337 91 HA PRO 11 HA PRO 11 1.033 8.075 -7.643 92 HB2 PRO 11 2HB PRO 11 0.117 6.457 -9.659 93 HB3 PRO 11 3HB PRO 11 1.502 7.577 -9.828 94 HG2 PRO 11 2HG PRO 11 1.549 4.640 -9.110 95 HG3 PRO 11 3HG PRO 11 2.472 5.456 -10.419 96 HD2 PRO 11 2HD PRO 11 3.645 4.974 -8.047 97 HD3 PRO 11 3HD PRO 11 3.876 6.556 -8.828 98 H ASP 12 H ASP 12 1.187 5.271 -5.868 99 HA ASP 12 HA ASP 12 -0.165 4.282 -4.383 100 HB2 ASP 12 2HB ASP 12 -1.433 6.705 -4.688 101 HB3 ASP 12 3HB ASP 12 -2.731 5.582 -5.086 102 H GLY 13 H GLY 13 -0.920 4.280 -7.740 103 HA2 GLY 13 2HA GLY 13 -2.892 2.119 -7.615 104 HA3 GLY 13 3HA GLY 13 -2.268 2.943 -9.033 105 H GLU 14 H GLU 14 0.529 2.454 -7.713 106 HA GLU 14 HA GLU 14 1.065 0.019 -9.166 107 HB2 GLU 14 2HB GLU 14 2.738 2.025 -7.597 108 HB3 GLU 14 3HB GLU 14 3.476 0.547 -8.227 109 HG2 GLU 14 2HG GLU 14 2.133 2.719 -9.851 110 HG3 GLU 14 3HG GLU 14 3.856 2.342 -9.790 111 H LEU 15 H LEU 15 -0.130 0.422 -6.136 112 HA LEU 15 HA LEU 15 1.472 -1.695 -4.812 113 HB2 LEU 15 2HB LEU 15 -1.014 -0.391 -3.676 114 HB3 LEU 15 3HB LEU 15 0.347 -1.126 -2.816 115 HG LEU 15 HG LEU 15 0.372 1.559 -4.316 116 HD11 LEU 15 1HD1 LEU 15 -0.900 1.563 -2.235 117 HD12 LEU 15 2HD1 LEU 15 0.618 2.497 -2.078 118 HD13 LEU 15 3HD1 LEU 15 0.507 0.875 -1.357 119 HD21 LEU 15 3HD2 LEU 15 2.565 1.909 -3.260 120 HD22 LEU 15 1HD2 LEU 15 2.632 0.490 -4.326 121 HD23 LEU 15 2HD2 LEU 15 2.481 0.302 -2.554 122 H GLU 16 H GLU 16 0.141 -3.422 -3.650 123 HA GLU 16 HA GLU 16 -2.059 -4.433 -5.392 124 HB2 GLU 16 2HB GLU 16 0.038 -5.692 -5.544 125 HB3 GLU 16 3HB GLU 16 0.135 -5.812 -3.812 126 HG2 GLU 16 2HG GLU 16 -0.720 -7.894 -4.387 127 HG3 GLU 16 3HG GLU 16 -2.183 -7.024 -3.936 128 H ILE 17 H ILE 17 -3.978 -3.822 -4.273 129 HA ILE 17 HA ILE 17 -3.987 -4.148 -1.306 130 HB ILE 17 HB ILE 17 -5.708 -2.493 -3.172 131 HG12 ILE 17 2HG1 ILE 17 -3.838 -1.428 -0.988 132 HG13 ILE 17 3HG1 ILE 17 -3.218 -1.749 -2.599 133 HG21 ILE 17 1HG2 ILE 17 -7.009 -3.218 -1.173 134 HG22 ILE 17 2HG2 ILE 17 -5.730 -2.575 -0.126 135 HG23 ILE 17 3HG2 ILE 17 -6.689 -1.486 -1.145 136 HD11 ILE 17 3HD1 ILE 17 -5.016 -0.324 -3.564 137 HD12 ILE 17 1HD1 ILE 17 -5.408 0.219 -1.916 138 HD13 ILE 17 2HD1 ILE 17 -3.794 0.530 -2.592 139 H THR 18 H THR 18 -5.755 -5.337 -0.372 140 HA THR 18 HA THR 18 -7.525 -6.838 -2.165 141 HB THR 18 HB THR 18 -6.841 -8.761 -0.272 142 HG1 THR 18 1HG THR 18 -4.340 -8.288 -1.301 143 HG21 THR 18 3HG2 THR 18 -7.377 -9.062 -2.628 144 HG22 THR 18 1HG2 THR 18 -5.941 -9.992 -2.160 145 HG23 THR 18 2HG2 THR 18 -5.766 -8.480 -3.096 146 H ALA 19 H ALA 19 -9.289 -7.890 -1.050 147 HA ALA 19 HA ALA 19 -10.091 -6.359 1.336 148 HB1 ALA 19 1HB ALA 19 -12.382 -7.123 0.714 149 HB2 ALA 19 2HB ALA 19 -11.619 -6.258 -0.633 150 HB3 ALA 19 3HB ALA 19 -11.709 -8.035 -0.640 151 H ILE 20 H ILE 20 -10.394 -7.299 3.257 152 HA ILE 20 HA ILE 20 -10.213 -10.258 3.441 153 HB ILE 20 HB ILE 20 -9.016 -9.674 5.672 154 HG12 ILE 20 2HG1 ILE 20 -8.079 -7.265 4.089 155 HG13 ILE 20 3HG1 ILE 20 -9.245 -7.199 5.399 156 HG21 ILE 20 1HG2 ILE 20 -6.860 -10.014 4.570 157 HG22 ILE 20 2HG2 ILE 20 -8.098 -10.966 3.758 158 HG23 ILE 20 3HG2 ILE 20 -7.545 -9.446 3.023 159 HD11 ILE 20 3HD1 ILE 20 -6.381 -8.213 5.678 160 HD12 ILE 20 1HD1 ILE 20 -6.987 -6.649 6.175 161 HD13 ILE 20 2HD1 ILE 20 -7.590 -8.107 6.985 162 H ARG 21 H ARG 21 -11.180 -11.203 5.241 163 HA ARG 21 HA ARG 21 -13.144 -9.547 6.689 164 HB2 ARG 21 2HB ARG 21 -13.816 -12.096 5.156 165 HB3 ARG 21 3HB ARG 21 -14.847 -11.313 6.348 166 HG2 ARG 21 2HG ARG 21 -15.755 -10.435 4.462 167 HG3 ARG 21 3HG ARG 21 -14.594 -9.172 4.846 168 HD2 ARG 21 2HD ARG 21 -14.397 -9.560 2.489 169 HD3 ARG 21 3HD ARG 21 -12.992 -10.342 3.204 170 HE ARG 21 HE ARG 21 -13.714 -12.347 2.436 171 HH11 ARG 21 1HH1 ARG 21 -16.499 -10.092 2.204 172 HH12 ARG 21 2HH1 ARG 21 -17.538 -11.349 1.559 173 HH21 ARG 21 1HH2 ARG 21 -15.244 -13.972 1.766 174 HH22 ARG 21 2HH2 ARG 21 -16.842 -13.475 1.336 175 H ALA 22 H ALA 22 -13.077 -10.035 8.775 176 HA ALA 22 HA ALA 22 -11.377 -12.283 9.699 177 HB1 ALA 22 1HB ALA 22 -11.319 -10.131 10.941 178 HB2 ALA 22 2HB ALA 22 -13.060 -10.274 11.284 179 HB3 ALA 22 3HB ALA 22 -11.934 -11.447 11.956 180 H GLN 23 H GLN 23 -12.441 -14.267 9.281 181 HA GLN 23 HA GLN 23 -14.943 -14.814 10.619 182 HB2 GLN 23 2HB GLN 23 -16.155 -15.467 8.543 183 HB3 GLN 23 3HB GLN 23 -15.915 -13.733 8.692 184 HG2 GLN 23 2HG GLN 23 -14.096 -13.824 7.027 185 HG3 GLN 23 3HG GLN 23 -14.240 -15.587 6.946 186 HE21 GLN 23 1HE2 GLN 23 -14.490 -14.910 4.549 187 HE22 GLN 23 2HE2 GLN 23 -16.178 -14.790 4.042 188 H GLY 24 H GLY 24 -15.679 -17.041 10.189 189 HA2 GLY 24 2HA GLY 24 -15.309 -19.244 9.380 190 HA3 GLY 24 3HA GLY 24 -13.570 -18.967 9.372 191 H ALA 25 H ALA 25 -12.681 -20.140 10.931 192 HA ALA 25 HA ALA 25 -13.906 -21.369 13.087 193 HB1 ALA 25 1HB ALA 25 -10.991 -20.523 12.757 194 HB2 ALA 25 2HB ALA 25 -11.591 -21.724 13.911 195 HB3 ALA 25 3HB ALA 25 -11.732 -22.029 12.163 196 H GLY 26 H GLY 26 -14.115 -21.028 15.186 197 HA2 GLY 26 2HA GLY 26 -13.949 -18.299 16.281 198 HA3 GLY 26 3HA GLY 26 -15.031 -19.613 16.780 199 H GLY 27 H GLY 27 -13.507 -18.125 18.569 200 HA2 GLY 27 2HA GLY 27 -12.653 -19.136 20.587 201 HA3 GLY 27 3HA GLY 27 -11.567 -20.140 19.638 202 H GLN 28 H GLN 28 -10.857 -17.705 17.894 203 HA GLN 28 HA GLN 28 -8.751 -16.715 19.721 204 HB2 GLN 28 2HB GLN 28 -9.163 -16.517 16.726 205 HB3 GLN 28 3HB GLN 28 -7.900 -15.612 17.564 206 HG2 GLN 28 2HG GLN 28 -8.164 -18.620 17.338 207 HG3 GLN 28 3HG GLN 28 -6.887 -17.597 16.691 208 HE21 GLN 28 1HE2 GLN 28 -5.803 -16.135 18.672 209 HE22 GLN 28 2HE2 GLN 28 -5.504 -17.061 20.140 210 H HIS 29 H HIS 29 -8.281 -14.143 18.892 211 HA HIS 29 HA HIS 29 -10.379 -12.770 20.347 212 HB2 HIS 29 2HB HIS 29 -7.821 -11.826 19.031 213 HB3 HIS 29 3HB HIS 29 -8.944 -10.790 19.912 214 HD1 HIS 29 1HD HIS 29 -8.422 -14.108 21.720 215 HD2 HIS 29 2HD HIS 29 -6.774 -10.220 21.478 216 HE1 HIS 29 1HE HIS 29 -6.998 -13.791 23.774 217 H VAL 30 H VAL 30 -12.088 -13.335 18.887 218 HA VAL 30 HA VAL 30 -12.424 -12.312 16.242 219 HB VAL 30 HB VAL 30 -14.801 -13.056 16.697 220 HG11 VAL 30 1HG1 VAL 30 -12.628 -15.073 17.376 221 HG12 VAL 30 2HG1 VAL 30 -14.262 -15.422 16.781 222 HG13 VAL 30 3HG1 VAL 30 -13.111 -14.566 15.745 223 HG21 VAL 30 3HG2 VAL 30 -15.342 -14.193 18.751 224 HG22 VAL 30 1HG2 VAL 30 -13.718 -14.023 19.398 225 HG23 VAL 30 2HG2 VAL 30 -14.750 -12.591 19.197 226 H ASN 31 H ASN 31 -12.121 -10.489 18.897 227 HA ASN 31 HA ASN 31 -14.344 -8.651 18.756 228 HB2 ASN 31 2HB ASN 31 -11.612 -8.222 20.047 229 HB3 ASN 31 3HB ASN 31 -13.134 -7.428 20.439 230 HD21 ASN 31 1HD2 ASN 31 -11.017 -9.826 21.442 231 HD22 ASN 31 2HD2 ASN 31 -12.148 -10.743 22.416 232 H LYS 32 H LYS 32 -13.215 -8.791 16.084 233 HA LYS 32 HA LYS 32 -12.165 -6.003 15.858 234 HB2 LYS 32 2HB LYS 32 -10.980 -8.467 14.502 235 HB3 LYS 32 3HB LYS 32 -10.599 -6.820 14.027 236 HG2 LYS 32 2HG LYS 32 -10.135 -7.830 16.864 237 HG3 LYS 32 3HG LYS 32 -8.943 -8.002 15.597 238 HD2 LYS 32 2HD LYS 32 -8.609 -5.676 15.367 239 HD3 LYS 32 3HD LYS 32 -10.140 -5.277 16.165 240 HE2 LYS 32 2HE LYS 32 -9.236 -6.240 18.288 241 HE3 LYS 32 3HE LYS 32 -7.645 -6.383 17.513 242 HZ1 LYS 32 3HZ LYS 32 -8.168 -4.306 18.849 243 HZ2 LYS 32 1HZ LYS 32 -9.166 -3.851 17.659 244 HZ3 LYS 32 2HZ LYS 32 -7.582 -3.981 17.323 245 H THR 33 H THR 33 -12.662 -4.887 13.998 246 HA THR 33 HA THR 33 -15.146 -5.355 12.810 247 HB THR 33 HB THR 33 -14.202 -3.485 11.281 248 HG1 THR 33 1HG THR 33 -12.028 -4.106 11.667 249 HG21 THR 33 3HG2 THR 33 -15.566 -3.010 13.305 250 HG22 THR 33 1HG2 THR 33 -14.318 -1.791 13.013 251 HG23 THR 33 2HG2 THR 33 -14.091 -3.009 14.288 252 H SER 34 H SER 34 -15.501 -7.181 11.525 253 HA SER 34 HA SER 34 -13.668 -8.588 10.108 254 HB2 SER 34 2HB SER 34 -16.523 -8.235 9.211 255 HB3 SER 34 3HB SER 34 -15.513 -9.690 9.122 256 HG SER 34 HG SER 34 -16.939 -9.845 10.869 257 H THR 35 H THR 35 -15.837 -6.071 8.572 258 HA THR 35 HA THR 35 -14.706 -6.379 5.991 259 HB THR 35 HB THR 35 -16.038 -3.870 7.071 260 HG1 THR 35 1HG THR 35 -18.008 -4.915 6.507 261 HG21 THR 35 3HG2 THR 35 -16.255 -5.270 4.386 262 HG22 THR 35 1HG2 THR 35 -15.135 -3.929 4.749 263 HG23 THR 35 2HG2 THR 35 -16.878 -3.668 4.831 264 H ALA 36 H ALA 36 -12.446 -6.301 5.973 265 HA ALA 36 HA ALA 36 -11.234 -3.640 6.664 266 HB1 ALA 36 1HB ALA 36 -10.112 -6.447 7.203 267 HB2 ALA 36 2HB ALA 36 -9.374 -4.881 7.618 268 HB3 ALA 36 3HB ALA 36 -10.866 -5.397 8.421 269 H ILE 37 H ILE 37 -8.786 -3.724 5.852 270 HA ILE 37 HA ILE 37 -8.765 -4.768 3.080 271 HB ILE 37 HB ILE 37 -8.223 -1.952 4.081 272 HG12 ILE 37 2HG1 ILE 37 -10.562 -2.453 3.419 273 HG13 ILE 37 3HG1 ILE 37 -9.820 -1.270 2.389 274 HG21 ILE 37 1HG2 ILE 37 -6.351 -2.283 2.671 275 HG22 ILE 37 2HG2 ILE 37 -7.303 -3.199 1.480 276 HG23 ILE 37 3HG2 ILE 37 -7.546 -1.462 1.667 277 HD11 ILE 37 3HD1 ILE 37 -10.277 -4.206 1.707 278 HD12 ILE 37 1HD1 ILE 37 -11.098 -2.804 1.029 279 HD13 ILE 37 2HD1 ILE 37 -9.399 -3.073 0.657 280 H HIS 38 H HIS 38 -6.834 -5.285 2.281 281 HA HIS 38 HA HIS 38 -4.582 -5.607 4.165 282 HB2 HIS 38 2HB HIS 38 -5.920 -7.646 3.439 283 HB3 HIS 38 3HB HIS 38 -5.499 -7.282 1.781 284 HD1 HIS 38 1HD HIS 38 -3.028 -8.016 1.043 285 HD2 HIS 38 2HD HIS 38 -4.039 -8.570 5.091 286 HE1 HIS 38 1HE HIS 38 -1.133 -9.367 2.099 287 H LEU 39 H LEU 39 -2.759 -4.459 3.460 288 HA LEU 39 HA LEU 39 -2.753 -3.415 0.650 289 HB2 LEU 39 2HB LEU 39 -3.128 -1.581 2.155 290 HB3 LEU 39 3HB LEU 39 -1.821 -2.080 3.220 291 HG LEU 39 HG LEU 39 -1.005 -1.681 0.376 292 HD11 LEU 39 1HD1 LEU 39 -0.975 0.731 0.432 293 HD12 LEU 39 2HD1 LEU 39 -1.769 0.764 2.005 294 HD13 LEU 39 3HD1 LEU 39 -2.639 0.155 0.584 295 HD21 LEU 39 3HD2 LEU 39 0.988 -0.861 1.260 296 HD22 LEU 39 1HD2 LEU 39 0.527 -1.998 2.524 297 HD23 LEU 39 2HD2 LEU 39 0.241 -0.250 2.739 298 H ARG 40 H ARG 40 -1.050 -4.125 -0.529 299 HA ARG 40 HA ARG 40 1.277 -5.283 0.886 300 HB2 ARG 40 2HB ARG 40 -0.381 -6.931 -0.266 301 HB3 ARG 40 3HB ARG 40 0.040 -6.174 -1.755 302 HG2 ARG 40 2HG ARG 40 2.352 -6.816 -1.603 303 HG3 ARG 40 3HG ARG 40 2.100 -7.449 0.048 304 HD2 ARG 40 2HD ARG 40 0.521 -9.097 -0.769 305 HD3 ARG 40 3HD ARG 40 0.633 -8.458 -2.420 306 HE ARG 40 HE ARG 40 2.860 -9.182 -2.614 307 HH11 ARG 40 1HH1 ARG 40 1.080 -10.822 -0.047 308 HH12 ARG 40 2HH1 ARG 40 2.450 -11.524 0.748 309 HH21 ARG 40 1HH2 ARG 40 4.635 -10.543 -1.970 310 HH22 ARG 40 2HH2 ARG 40 4.489 -11.662 -0.699 311 H PHE 41 H PHE 41 3.030 -4.231 0.440 312 HA PHE 41 HA PHE 41 3.255 -2.798 -2.171 313 HB2 PHE 41 2HB PHE 41 2.892 -1.022 -0.571 314 HB3 PHE 41 3HB PHE 41 4.104 -1.696 0.531 315 HD1 PHE 41 2HD PHE 41 4.046 -1.060 -3.207 316 HD2 PHE 41 1HD PHE 41 6.100 -0.414 0.534 317 HE1 PHE 41 2HE PHE 41 5.735 0.241 -4.386 318 HE2 PHE 41 1HE PHE 41 7.871 0.824 -0.670 319 HZ PHE 41 HZ PHE 41 7.681 1.167 -3.146 320 H ASP 42 H ASP 42 4.479 -4.203 -3.192 321 HA ASP 42 HA ASP 42 6.700 -5.617 -1.896 322 HB2 ASP 42 2HB ASP 42 5.192 -6.790 -3.379 323 HB3 ASP 42 3HB ASP 42 5.585 -5.733 -4.695 324 H ILE 43 H ILE 43 8.264 -4.300 -1.436 325 HA ILE 43 HA ILE 43 9.026 -1.933 -2.797 326 HB ILE 43 HB ILE 43 10.725 -3.801 -1.095 327 HG12 ILE 43 2HG1 ILE 43 9.709 -1.346 0.219 328 HG13 ILE 43 3HG1 ILE 43 8.428 -2.487 -0.147 329 HG21 ILE 43 1HG2 ILE 43 11.057 -0.833 -1.651 330 HG22 ILE 43 2HG2 ILE 43 12.125 -1.868 -0.656 331 HG23 ILE 43 3HG2 ILE 43 11.988 -2.140 -2.379 332 HD11 ILE 43 3HD1 ILE 43 10.986 -3.334 1.274 333 HD12 ILE 43 1HD1 ILE 43 9.515 -2.818 2.116 334 HD13 ILE 43 2HD1 ILE 43 9.475 -4.252 1.097 335 H ARG 44 H ARG 44 10.183 -5.365 -2.985 336 HA ARG 44 HA ARG 44 12.268 -4.885 -4.822 337 HB2 ARG 44 2HB ARG 44 10.586 -7.312 -4.066 338 HB3 ARG 44 3HB ARG 44 11.690 -7.428 -5.415 339 HG2 ARG 44 2HG ARG 44 12.462 -6.638 -2.573 340 HG3 ARG 44 3HG ARG 44 12.610 -8.265 -3.255 341 HD2 ARG 44 2HD ARG 44 14.014 -5.803 -4.306 342 HD3 ARG 44 3HD ARG 44 14.753 -7.056 -3.308 343 HE ARG 44 HE ARG 44 13.736 -7.355 -6.101 344 HH11 ARG 44 1HH1 ARG 44 15.805 -8.724 -3.532 345 HH12 ARG 44 2HH1 ARG 44 16.614 -9.788 -4.631 346 HH21 ARG 44 1HH2 ARG 44 14.752 -8.648 -7.454 347 HH22 ARG 44 2HH2 ARG 44 16.134 -9.604 -6.987 348 H ALA 45 H ALA 45 8.845 -5.147 -5.314 349 HA ALA 45 HA ALA 45 9.121 -5.119 -8.277 350 HB1 ALA 45 1HB ALA 45 6.743 -5.610 -8.299 351 HB2 ALA 45 2HB ALA 45 7.507 -6.688 -7.122 352 HB3 ALA 45 3HB ALA 45 6.619 -5.255 -6.569 353 H SER 46 H SER 46 9.428 -2.693 -6.164 354 HA SER 46 HA SER 46 7.473 -0.874 -7.479 355 HB2 SER 46 2HB SER 46 7.833 0.596 -5.646 356 HB3 SER 46 3HB SER 46 7.602 -1.036 -4.991 357 HG SER 46 HG SER 46 9.863 -1.197 -4.777 358 H SER 47 H SER 47 8.272 1.394 -7.952 359 HA SER 47 HA SER 47 10.817 1.236 -9.416 360 HB2 SER 47 2HB SER 47 8.635 3.341 -9.495 361 HB3 SER 47 3HB SER 47 9.986 3.159 -10.612 362 HG SER 47 HG SER 47 7.958 2.214 -11.329 363 H LEU 48 H LEU 48 10.337 1.725 -6.338 364 HA LEU 48 HA LEU 48 11.170 4.348 -5.694 365 HB2 LEU 48 2HB LEU 48 11.553 1.638 -4.319 366 HB3 LEU 48 3HB LEU 48 12.076 3.132 -3.574 367 HG LEU 48 HG LEU 48 9.205 2.400 -4.262 368 HD11 LEU 48 1HD1 LEU 48 10.756 2.746 -1.642 369 HD12 LEU 48 2HD1 LEU 48 10.075 1.242 -2.295 370 HD13 LEU 48 3HD1 LEU 48 9.002 2.544 -1.740 371 HD21 LEU 48 3HD2 LEU 48 10.316 4.923 -2.982 372 HD22 LEU 48 1HD2 LEU 48 8.597 4.477 -3.063 373 HD23 LEU 48 2HD2 LEU 48 9.457 4.816 -4.549 374 HA PRO 49 HA PRO 49 15.417 4.477 -6.739 375 HB2 PRO 49 2HB PRO 49 16.598 5.785 -4.593 376 HB3 PRO 49 3HB PRO 49 15.605 6.591 -5.835 377 HG2 PRO 49 2HG PRO 49 14.751 5.647 -3.125 378 HG3 PRO 49 3HG PRO 49 14.423 7.231 -3.903 379 HD2 PRO 49 2HD PRO 49 12.587 5.239 -3.902 380 HD3 PRO 49 3HD PRO 49 12.792 6.254 -5.358 381 H GLU 50 H GLU 50 17.309 3.280 -6.415 382 HA GLU 50 HA GLU 50 17.224 0.864 -5.140 383 HB2 GLU 50 2HB GLU 50 19.587 0.697 -5.675 384 HB3 GLU 50 3HB GLU 50 18.740 1.585 -6.929 385 HG2 GLU 50 2HG GLU 50 19.521 3.684 -5.369 386 HG3 GLU 50 3HG GLU 50 20.762 2.531 -4.883 387 H TYR 51 H TYR 51 18.402 3.929 -3.700 388 HA TYR 51 HA TYR 51 19.545 2.746 -1.362 389 HB2 TYR 51 2HB TYR 51 19.964 5.053 -2.194 390 HB3 TYR 51 3HB TYR 51 18.323 5.500 -1.721 391 HD1 TYR 51 1HD TYR 51 21.664 4.387 -0.461 392 HD2 TYR 51 2HD TYR 51 17.826 6.040 0.543 393 HE1 TYR 51 1HE TYR 51 22.478 4.890 1.811 394 HE2 TYR 51 2HE TYR 51 18.507 6.284 2.897 395 HH TYR 51 HH TYR 51 20.360 6.105 4.436 396 H TYR 52 H TYR 52 16.184 3.762 -2.183 397 HA TYR 52 HA TYR 52 15.210 3.291 0.540 398 HB2 TYR 52 2HB TYR 52 13.813 3.705 -2.116 399 HB3 TYR 52 3HB TYR 52 12.960 3.060 -0.735 400 HD1 TYR 52 2HD TYR 52 15.549 5.862 -0.860 401 HD2 TYR 52 1HD TYR 52 11.433 4.710 -0.181 402 HE1 TYR 52 2HE TYR 52 15.069 8.103 0.007 403 HE2 TYR 52 1HE TYR 52 10.939 6.975 0.602 404 HH TYR 52 HH TYR 52 13.429 9.369 1.301 405 H LYS 53 H LYS 53 15.515 1.395 -2.521 406 HA LYS 53 HA LYS 53 14.032 -0.829 -1.665 407 HB2 LYS 53 2HB LYS 53 16.585 -0.859 -3.324 408 HB3 LYS 53 3HB LYS 53 15.460 -2.171 -3.250 409 HG2 LYS 53 2HG LYS 53 14.782 0.568 -4.402 410 HG3 LYS 53 3HG LYS 53 15.420 -0.784 -5.325 411 HD2 LYS 53 2HD LYS 53 13.407 -2.150 -4.601 412 HD3 LYS 53 3HD LYS 53 12.786 -0.676 -3.828 413 HE2 LYS 53 2HE LYS 53 11.719 -0.923 -5.945 414 HE3 LYS 53 3HE LYS 53 12.796 0.480 -6.017 415 HZ1 LYS 53 3HZ LYS 53 13.569 -2.172 -7.046 416 HZ2 LYS 53 1HZ LYS 53 14.280 -0.714 -7.364 417 HZ3 LYS 53 2HZ LYS 53 12.797 -1.069 -7.969 418 H GLU 54 H GLU 54 17.534 -0.216 -1.189 419 HA GLU 54 HA GLU 54 17.973 -2.544 0.378 420 HB2 GLU 54 2HB GLU 54 19.365 0.173 0.618 421 HB3 GLU 54 3HB GLU 54 19.922 -1.351 1.284 422 HG2 GLU 54 2HG GLU 54 19.946 -2.266 -1.065 423 HG3 GLU 54 3HG GLU 54 19.765 -0.610 -1.647 424 H ARG 55 H ARG 55 17.020 0.734 1.299 425 HA ARG 55 HA ARG 55 17.260 0.330 4.141 426 HB2 ARG 55 2HB ARG 55 16.072 2.438 2.400 427 HB3 ARG 55 3HB ARG 55 15.271 2.242 3.950 428 HG2 ARG 55 2HG ARG 55 17.028 3.900 4.185 429 HG3 ARG 55 3HG ARG 55 17.389 2.465 5.146 430 HD2 ARG 55 2HD ARG 55 18.863 1.726 3.176 431 HD3 ARG 55 3HD ARG 55 18.652 3.342 2.526 432 HE ARG 55 HE ARG 55 19.615 4.258 4.570 433 HH11 ARG 55 1HH1 ARG 55 20.285 0.750 4.150 434 HH12 ARG 55 2HH1 ARG 55 21.291 0.716 5.543 435 HH21 ARG 55 1HH2 ARG 55 21.293 4.209 6.110 436 HH22 ARG 55 2HH2 ARG 55 21.791 2.666 6.695 437 H LEU 56 H LEU 56 14.423 -0.044 2.025 438 HA LEU 56 HA LEU 56 12.765 -0.833 4.295 439 HB2 LEU 56 2HB LEU 56 12.279 -1.098 1.327 440 HB3 LEU 56 3HB LEU 56 11.073 -1.276 2.596 441 HG LEU 56 HG LEU 56 12.574 1.280 1.808 442 HD11 LEU 56 1HD1 LEU 56 10.409 2.151 1.129 443 HD12 LEU 56 2HD1 LEU 56 9.633 0.609 1.550 444 HD13 LEU 56 3HD1 LEU 56 10.829 0.689 0.232 445 HD21 LEU 56 3HD2 LEU 56 12.257 1.381 4.185 446 HD22 LEU 56 1HD2 LEU 56 10.524 0.995 4.010 447 HD23 LEU 56 2HD2 LEU 56 11.199 2.513 3.358 448 H LEU 57 H LEU 57 15.045 -2.574 2.192 449 HA LEU 57 HA LEU 57 13.794 -5.173 2.702 450 HB2 LEU 57 2HB LEU 57 16.343 -4.149 1.419 451 HB3 LEU 57 3HB LEU 57 16.260 -5.833 1.911 452 HG LEU 57 HG LEU 57 14.104 -4.644 0.137 453 HD11 LEU 57 1HD1 LEU 57 15.443 -5.653 -1.743 454 HD12 LEU 57 2HD1 LEU 57 16.769 -5.912 -0.599 455 HD13 LEU 57 3HD1 LEU 57 16.228 -4.257 -0.959 456 HD21 LEU 57 3HD2 LEU 57 13.601 -6.832 1.222 457 HD22 LEU 57 1HD2 LEU 57 15.118 -7.488 0.597 458 HD23 LEU 57 2HD2 LEU 57 13.836 -7.022 -0.529 459 H ALA 58 H ALA 58 16.556 -3.256 3.904 460 HA ALA 58 HA ALA 58 17.505 -5.261 5.772 461 HB1 ALA 58 1HB ALA 58 19.070 -3.465 6.415 462 HB2 ALA 58 2HB ALA 58 18.981 -3.592 4.647 463 HB3 ALA 58 3HB ALA 58 18.131 -2.280 5.479 464 H ALA 59 H ALA 59 14.948 -3.035 5.790 465 HA ALA 59 HA ALA 59 14.749 -1.933 8.311 466 HB1 ALA 59 1HB ALA 59 12.696 -3.149 6.415 467 HB2 ALA 59 2HB ALA 59 12.239 -2.190 7.810 468 HB3 ALA 59 3HB ALA 59 13.195 -1.437 6.501 469 H SER 60 H SER 60 14.002 -2.619 10.331 470 HA SER 60 HA SER 60 13.604 -5.558 10.661 471 HB2 SER 60 2HB SER 60 15.550 -4.373 11.804 472 HB3 SER 60 3HB SER 60 14.362 -3.474 12.746 473 HG SER 60 HG SER 60 15.056 -5.279 13.873 474 H HIS 61 H HIS 61 11.405 -5.489 10.004 475 HA HIS 61 HA HIS 61 9.616 -4.356 12.067 476 HB2 HIS 61 2HB HIS 61 9.715 -3.016 9.705 477 HB3 HIS 61 3HB HIS 61 8.587 -4.250 9.267 478 HD1 HIS 61 1HD HIS 61 6.630 -4.500 11.720 479 HD2 HIS 61 2HD HIS 61 8.364 -0.877 10.396 480 HE1 HIS 61 1HE HIS 61 5.104 -2.670 12.475 481 H HIS 62 H HIS 62 8.071 -5.778 12.721 482 HA HIS 62 HA HIS 62 7.929 -8.446 11.701 483 HB2 HIS 62 2HB HIS 62 6.200 -8.739 13.354 484 HB3 HIS 62 3HB HIS 62 7.490 -7.761 14.040 485 HD1 HIS 62 1HD HIS 62 6.841 -5.125 14.572 486 HD2 HIS 62 2HD HIS 62 3.813 -7.590 12.947 487 HE1 HIS 62 1HE HIS 62 4.664 -3.853 14.800 488 H LEU 63 H LEU 63 6.987 -5.873 10.028 489 HA LEU 63 HA LEU 63 4.485 -6.987 8.864 490 HB2 LEU 63 2HB LEU 63 5.424 -4.113 9.049 491 HB3 LEU 63 3HB LEU 63 4.014 -4.642 8.159 492 HG LEU 63 HG LEU 63 4.383 -4.769 11.167 493 HD11 LEU 63 1HD1 LEU 63 3.972 -2.502 10.124 494 HD12 LEU 63 2HD1 LEU 63 2.701 -3.027 11.237 495 HD13 LEU 63 3HD1 LEU 63 2.446 -3.123 9.480 496 HD21 LEU 63 3HD2 LEU 63 1.921 -5.526 9.550 497 HD22 LEU 63 1HD2 LEU 63 2.024 -5.426 11.313 498 HD23 LEU 63 2HD2 LEU 63 2.955 -6.663 10.462 499 H ILE 64 H ILE 64 7.881 -6.530 8.246 500 HA ILE 64 HA ILE 64 7.310 -6.502 5.340 501 HB ILE 64 HB ILE 64 9.825 -5.567 6.761 502 HG12 ILE 64 2HG1 ILE 64 7.597 -3.920 5.478 503 HG13 ILE 64 3HG1 ILE 64 7.815 -4.068 7.204 504 HG21 ILE 64 1HG2 ILE 64 10.151 -6.424 4.426 505 HG22 ILE 64 2HG2 ILE 64 8.916 -5.286 3.841 506 HG23 ILE 64 3HG2 ILE 64 10.452 -4.712 4.525 507 HD11 ILE 64 3HD1 ILE 64 8.750 -2.025 6.518 508 HD12 ILE 64 1HD1 ILE 64 10.042 -3.126 7.069 509 HD13 ILE 64 2HD1 ILE 64 9.801 -2.803 5.326 510 H SER 65 H SER 65 8.227 -8.080 4.185 511 HA SER 65 HA SER 65 9.367 -10.388 5.717 512 HB2 SER 65 2HB SER 65 7.276 -10.719 4.308 513 HB3 SER 65 3HB SER 65 8.276 -10.422 2.874 514 HG SER 65 HG SER 65 8.466 -12.586 3.114 515 H SER 66 H SER 66 11.004 -11.668 4.648 516 HA SER 66 HA SER 66 13.334 -10.252 3.899 517 HB2 SER 66 2HB SER 66 13.235 -12.466 4.979 518 HB3 SER 66 3HB SER 66 12.526 -13.172 3.520 519 HG SER 66 HG SER 66 14.971 -13.128 4.102 520 H ASP 67 H ASP 67 10.639 -11.475 1.997 521 HA ASP 67 HA ASP 67 11.904 -11.465 -0.592 522 HB2 ASP 67 2HB ASP 67 9.921 -12.802 -0.040 523 HB3 ASP 67 3HB ASP 67 8.970 -11.334 0.209 524 H GLY 68 H GLY 68 11.067 -8.937 1.504 525 HA2 GLY 68 2HA GLY 68 11.289 -6.674 1.264 526 HA3 GLY 68 3HA GLY 68 11.624 -6.892 -0.468 527 H VAL 69 H VAL 69 8.814 -7.606 1.683 528 HA VAL 69 HA VAL 69 7.215 -5.720 0.121 529 HB VAL 69 HB VAL 69 6.877 -7.643 -1.159 530 HG11 VAL 69 1HG1 VAL 69 6.268 -9.309 1.296 531 HG12 VAL 69 2HG1 VAL 69 6.197 -9.791 -0.422 532 HG13 VAL 69 3HG1 VAL 69 7.744 -9.392 0.285 533 HG21 VAL 69 3HG2 VAL 69 4.483 -7.638 0.714 534 HG22 VAL 69 1HG2 VAL 69 4.797 -6.378 -0.498 535 HG23 VAL 69 2HG2 VAL 69 4.542 -8.039 -1.019 536 H ILE 70 H ILE 70 5.970 -4.563 1.304 537 HA ILE 70 HA ILE 70 5.867 -4.959 4.217 538 HB ILE 70 HB ILE 70 4.775 -2.638 2.560 539 HG12 ILE 70 2HG1 ILE 70 7.624 -3.128 3.447 540 HG13 ILE 70 3HG1 ILE 70 7.014 -2.658 1.869 541 HG21 ILE 70 1HG2 ILE 70 4.936 -1.364 4.625 542 HG22 ILE 70 2HG2 ILE 70 4.026 -2.840 4.940 543 HG23 ILE 70 3HG2 ILE 70 5.715 -2.725 5.449 544 HD11 ILE 70 3HD1 ILE 70 8.162 -0.789 2.818 545 HD12 ILE 70 1HD1 ILE 70 6.432 -0.399 2.823 546 HD13 ILE 70 2HD1 ILE 70 7.249 -0.886 4.327 547 H VAL 71 H VAL 71 3.999 -5.574 5.236 548 HA VAL 71 HA VAL 71 1.471 -5.799 3.664 549 HB VAL 71 HB VAL 71 2.674 -7.635 5.718 550 HG11 VAL 71 1HG1 VAL 71 0.079 -8.088 4.257 551 HG12 VAL 71 2HG1 VAL 71 0.803 -9.099 5.515 552 HG13 VAL 71 3HG1 VAL 71 0.174 -7.492 5.905 553 HG21 VAL 71 3HG2 VAL 71 2.554 -9.335 3.831 554 HG22 VAL 71 1HG2 VAL 71 2.229 -8.014 2.720 555 HG23 VAL 71 2HG2 VAL 71 3.754 -8.051 3.591 556 H ILE 72 H ILE 72 0.066 -4.476 4.485 557 HA ILE 72 HA ILE 72 0.054 -3.816 7.413 558 HB ILE 72 HB ILE 72 -0.633 -1.961 5.103 559 HG12 ILE 72 2HG1 ILE 72 1.797 -1.963 6.956 560 HG13 ILE 72 3HG1 ILE 72 1.781 -2.353 5.230 561 HG21 ILE 72 1HG2 ILE 72 -0.852 -0.201 6.804 562 HG22 ILE 72 2HG2 ILE 72 -1.992 -1.483 7.125 563 HG23 ILE 72 3HG2 ILE 72 -0.505 -1.372 8.093 564 HD11 ILE 72 3HD1 ILE 72 1.395 0.350 6.492 565 HD12 ILE 72 1HD1 ILE 72 2.543 -0.190 5.243 566 HD13 ILE 72 2HD1 ILE 72 0.827 -0.004 4.851 567 H LYS 73 H LYS 73 -1.951 -3.828 8.401 568 HA LYS 73 HA LYS 73 -4.324 -4.560 6.741 569 HB2 LYS 73 2HB LYS 73 -3.623 -5.778 9.422 570 HB3 LYS 73 3HB LYS 73 -4.966 -6.197 8.361 571 HG2 LYS 73 2HG LYS 73 -3.271 -6.861 6.587 572 HG3 LYS 73 3HG LYS 73 -2.003 -6.629 7.793 573 HD2 LYS 73 2HD LYS 73 -3.088 -8.377 9.221 574 HD3 LYS 73 3HD LYS 73 -4.219 -8.705 7.872 575 HE2 LYS 73 2HE LYS 73 -2.315 -9.193 6.369 576 HE3 LYS 73 3HE LYS 73 -1.160 -8.767 7.624 577 HZ1 LYS 73 3HZ LYS 73 -1.351 -11.084 7.543 578 HZ2 LYS 73 1HZ LYS 73 -2.953 -11.102 7.521 579 HZ3 LYS 73 2HZ LYS 73 -2.152 -10.681 8.926 580 H ALA 74 H ALA 74 -5.193 -2.566 6.761 581 HA ALA 74 HA ALA 74 -5.401 -0.969 9.239 582 HB1 ALA 74 1HB ALA 74 -4.620 0.130 7.174 583 HB2 ALA 74 2HB ALA 74 -6.061 -0.422 6.307 584 HB3 ALA 74 3HB ALA 74 -6.204 0.762 7.610 585 H GLN 75 H GLN 75 -7.328 -0.885 10.357 586 HA GLN 75 HA GLN 75 -9.838 -1.506 9.079 587 HB2 GLN 75 2HB GLN 75 -10.178 -3.247 11.132 588 HB3 GLN 75 3HB GLN 75 -9.830 -3.674 9.483 589 HG2 GLN 75 2HG GLN 75 -7.355 -3.832 10.134 590 HG3 GLN 75 3HG GLN 75 -7.853 -3.650 11.783 591 HE21 GLN 75 1HE2 GLN 75 -7.217 -5.854 9.344 592 HE22 GLN 75 2HE2 GLN 75 -7.980 -7.284 10.035 593 H GLU 76 H GLU 76 -10.980 0.094 9.783 594 HA GLU 76 HA GLU 76 -11.264 0.758 12.642 595 HB2 GLU 76 2HB GLU 76 -10.572 2.900 10.575 596 HB3 GLU 76 3HB GLU 76 -10.923 3.159 12.275 597 HG2 GLU 76 2HG GLU 76 -8.449 1.856 11.097 598 HG3 GLU 76 3HG GLU 76 -8.585 3.477 11.754 599 H TYR 77 H TYR 77 -12.113 1.384 9.180 600 HA TYR 77 HA TYR 77 -14.685 2.591 9.872 601 HB2 TYR 77 2HB TYR 77 -13.318 1.916 7.269 602 HB3 TYR 77 3HB TYR 77 -14.844 2.783 7.417 603 HD1 TYR 77 2HD TYR 77 -14.935 5.053 8.420 604 HD2 TYR 77 1HD TYR 77 -11.184 3.017 7.740 605 HE1 TYR 77 2HE TYR 77 -13.753 7.178 8.576 606 HE2 TYR 77 1HE TYR 77 -9.997 5.109 7.960 607 HH TYR 77 HH TYR 77 -10.327 7.487 7.725 608 H ARG 78 H ARG 78 -16.637 1.843 9.196 609 HA ARG 78 HA ARG 78 -17.151 -0.952 9.192 610 HB2 ARG 78 2HB ARG 78 -19.477 -0.300 9.093 611 HB3 ARG 78 3HB ARG 78 -18.600 0.746 10.189 612 HG2 ARG 78 2HG ARG 78 -19.898 2.308 9.110 613 HG3 ARG 78 3HG ARG 78 -18.438 2.408 8.140 614 HD2 ARG 78 2HD ARG 78 -20.325 2.390 6.646 615 HD3 ARG 78 3HD ARG 78 -19.525 0.838 6.476 616 HE ARG 78 HE ARG 78 -21.926 1.331 8.180 617 HH11 ARG 78 1HH1 ARG 78 -20.572 -0.538 5.428 618 HH12 ARG 78 2HH1 ARG 78 -21.503 -1.951 5.826 619 HH21 ARG 78 1HH2 ARG 78 -23.210 -0.626 8.559 620 HH22 ARG 78 2HH2 ARG 78 -22.910 -2.006 7.535 621 H SER 79 H SER 79 -16.252 1.037 6.514 622 HA SER 79 HA SER 79 -17.652 -0.706 4.570 623 HB2 SER 79 2HB SER 79 -16.198 1.980 4.384 624 HB3 SER 79 3HB SER 79 -16.854 1.132 2.977 625 HG SER 79 HG SER 79 -18.269 2.719 3.920 626 H GLN 80 H GLN 80 -16.004 -0.710 2.419 627 HA GLN 80 HA GLN 80 -13.434 -1.886 3.350 628 HB2 GLN 80 2HB GLN 80 -15.499 -3.402 2.542 629 HB3 GLN 80 3HB GLN 80 -14.887 -3.007 0.947 630 HG2 GLN 80 2HG GLN 80 -12.881 -4.183 1.307 631 HG3 GLN 80 3HG GLN 80 -12.944 -3.935 3.058 632 HE21 GLN 80 1HE2 GLN 80 -12.522 -6.041 3.558 633 HE22 GLN 80 2HE2 GLN 80 -13.688 -7.314 3.392 634 H GLU 81 H GLU 81 -14.128 0.815 2.559 635 HA GLU 81 HA GLU 81 -12.392 1.143 0.165 636 HB2 GLU 81 2HB GLU 81 -14.915 1.268 -0.236 637 HB3 GLU 81 3HB GLU 81 -14.864 2.810 0.640 638 HG2 GLU 81 2HG GLU 81 -13.242 3.680 -1.040 639 HG3 GLU 81 3HG GLU 81 -13.259 2.108 -1.847 640 H LEU 82 H LEU 82 -13.173 2.084 3.357 641 HA LEU 82 HA LEU 82 -11.696 4.678 3.172 642 HB2 LEU 82 2HB LEU 82 -13.313 3.487 5.442 643 HB3 LEU 82 3HB LEU 82 -12.650 5.115 5.379 644 HG LEU 82 HG LEU 82 -14.866 3.970 3.636 645 HD11 LEU 82 1HD1 LEU 82 -16.328 5.515 4.828 646 HD12 LEU 82 2HD1 LEU 82 -14.966 6.030 5.846 647 HD13 LEU 82 3HD1 LEU 82 -15.576 4.362 5.926 648 HD21 LEU 82 3HD2 LEU 82 -13.569 5.644 2.376 649 HD22 LEU 82 1HD2 LEU 82 -13.769 6.806 3.708 650 HD23 LEU 82 2HD2 LEU 82 -15.176 6.235 2.777 651 H ASN 83 H ASN 83 -11.385 1.336 4.171 652 HA ASN 83 HA ASN 83 -9.306 1.870 6.161 653 HB2 ASN 83 2HB ASN 83 -10.405 -0.689 4.906 654 HB3 ASN 83 3HB ASN 83 -9.115 -0.637 6.100 655 HD21 ASN 83 1HD2 ASN 83 -12.259 -1.597 6.096 656 HD22 ASN 83 2HD2 ASN 83 -12.765 -0.933 7.599 657 H ARG 84 H ARG 84 -9.555 1.606 2.666 658 HA ARG 84 HA ARG 84 -6.917 0.569 2.260 659 HB2 ARG 84 2HB ARG 84 -7.621 2.032 -0.026 660 HB3 ARG 84 3HB ARG 84 -7.550 0.303 0.268 661 HG2 ARG 84 2HG ARG 84 -9.899 0.158 0.797 662 HG3 ARG 84 3HG ARG 84 -10.017 1.922 0.685 663 HD2 ARG 84 2HD ARG 84 -10.824 1.122 -1.380 664 HD3 ARG 84 3HD ARG 84 -9.197 1.744 -1.664 665 HE ARG 84 HE ARG 84 -8.965 -1.023 -1.170 666 HH11 ARG 84 1HH1 ARG 84 -10.336 1.105 -3.681 667 HH12 ARG 84 2HH1 ARG 84 -10.250 -0.101 -4.925 668 HH21 ARG 84 1HH2 ARG 84 -8.874 -2.629 -2.865 669 HH22 ARG 84 2HH2 ARG 84 -9.331 -2.193 -4.466 670 H GLU 85 H GLU 85 -8.274 3.954 2.222 671 HA GLU 85 HA GLU 85 -5.708 5.098 1.815 672 HB2 GLU 85 2HB GLU 85 -6.776 7.218 2.374 673 HB3 GLU 85 3HB GLU 85 -7.792 6.290 1.259 674 HG2 GLU 85 2HG GLU 85 -9.297 5.652 3.051 675 HG3 GLU 85 3HG GLU 85 -8.185 6.313 4.251 676 H ALA 86 H ALA 86 -7.231 3.795 4.709 677 HA ALA 86 HA ALA 86 -5.634 5.342 6.523 678 HB1 ALA 86 1HB ALA 86 -7.110 2.708 6.843 679 HB2 ALA 86 2HB ALA 86 -6.374 3.617 8.184 680 HB3 ALA 86 3HB ALA 86 -7.723 4.323 7.260 681 H ALA 87 H ALA 87 -5.242 2.366 4.647 682 HA ALA 87 HA ALA 87 -2.914 1.399 6.037 683 HB1 ALA 87 1HB ALA 87 -4.412 -0.006 4.582 684 HB2 ALA 87 2HB ALA 87 -3.769 0.839 3.167 685 HB3 ALA 87 3HB ALA 87 -2.683 -0.123 4.194 686 H LEU 88 H LEU 88 -3.461 3.635 3.250 687 HA LEU 88 HA LEU 88 -0.721 3.827 2.542 688 HB2 LEU 88 2HB LEU 88 -1.311 5.305 0.984 689 HB3 LEU 88 3HB LEU 88 -2.902 4.684 1.327 690 HG LEU 88 HG LEU 88 -3.020 6.767 2.967 691 HD11 LEU 88 1HD1 LEU 88 -0.977 7.646 0.925 692 HD12 LEU 88 2HD1 LEU 88 -0.699 7.530 2.681 693 HD13 LEU 88 3HD1 LEU 88 -1.856 8.714 2.062 694 HD21 LEU 88 3HD2 LEU 88 -3.966 8.149 1.160 695 HD22 LEU 88 1HD2 LEU 88 -4.496 6.489 1.010 696 HD23 LEU 88 2HD2 LEU 88 -3.220 7.075 -0.055 697 H ALA 89 H ALA 89 -2.689 5.634 4.936 698 HA ALA 89 HA ALA 89 -0.728 7.493 5.707 699 HB1 ALA 89 1HB ALA 89 -2.843 6.205 7.494 700 HB2 ALA 89 2HB ALA 89 -1.984 7.720 7.806 701 HB3 ALA 89 3HB ALA 89 -3.107 7.612 6.447 702 H ARG 90 H ARG 90 -1.166 4.102 6.702 703 HA ARG 90 HA ARG 90 0.867 4.198 8.793 704 HB2 ARG 90 2HB ARG 90 -0.661 1.997 7.339 705 HB3 ARG 90 3HB ARG 90 0.546 1.662 8.571 706 HG2 ARG 90 2HG ARG 90 -0.739 2.959 10.226 707 HG3 ARG 90 3HG ARG 90 -1.953 3.374 9.007 708 HD2 ARG 90 2HD ARG 90 -2.633 1.082 8.752 709 HD3 ARG 90 3HD ARG 90 -1.268 0.498 9.717 710 HE ARG 90 HE ARG 90 -3.798 1.623 10.696 711 HH11 ARG 90 1HH1 ARG 90 -0.397 0.998 11.609 712 HH12 ARG 90 2HH1 ARG 90 -0.735 0.965 13.294 713 HH21 ARG 90 1HH2 ARG 90 -4.194 1.719 12.834 714 HH22 ARG 90 2HH2 ARG 90 -2.915 1.664 14.031 715 H LEU 91 H LEU 91 0.688 3.190 5.366 716 HA LEU 91 HA LEU 91 3.205 1.985 5.175 717 HB2 LEU 91 2HB LEU 91 1.366 1.773 3.508 718 HB3 LEU 91 3HB LEU 91 1.511 3.469 3.109 719 HG LEU 91 HG LEU 91 3.762 3.118 2.201 720 HD11 LEU 91 1HD1 LEU 91 3.243 0.194 2.921 721 HD12 LEU 91 2HD1 LEU 91 4.572 1.239 3.493 722 HD13 LEU 91 3HD1 LEU 91 4.502 0.734 1.798 723 HD21 LEU 91 3HD2 LEU 91 3.078 1.939 0.180 724 HD22 LEU 91 1HD2 LEU 91 1.746 2.951 0.775 725 HD23 LEU 91 2HD2 LEU 91 1.705 1.210 1.036 726 H VAL 92 H VAL 92 2.254 5.287 4.318 727 HA VAL 92 HA VAL 92 4.818 6.232 3.601 728 HB VAL 92 HB VAL 92 2.555 7.742 5.008 729 HG11 VAL 92 1HG1 VAL 92 3.575 9.780 3.846 730 HG12 VAL 92 2HG1 VAL 92 4.505 9.140 5.201 731 HG13 VAL 92 3HG1 VAL 92 5.008 8.795 3.537 732 HG21 VAL 92 3HG2 VAL 92 2.037 6.680 2.702 733 HG22 VAL 92 1HG2 VAL 92 1.717 8.402 2.915 734 HG23 VAL 92 2HG2 VAL 92 3.177 7.892 2.063 735 H ALA 93 H ALA 93 3.344 6.038 6.801 736 HA ALA 93 HA ALA 93 5.274 7.515 8.259 737 HB1 ALA 93 1HB ALA 93 3.052 7.063 9.128 738 HB2 ALA 93 2HB ALA 93 3.390 5.313 9.164 739 HB3 ALA 93 3HB ALA 93 4.289 6.414 10.227 740 H MET 94 H MET 94 4.844 3.940 8.147 741 HA MET 94 HA MET 94 7.304 3.389 9.494 742 HB2 MET 94 2HB MET 94 7.031 1.114 8.762 743 HB3 MET 94 3HB MET 94 5.500 1.787 9.339 744 HG2 MET 94 2HG MET 94 4.861 2.201 6.945 745 HG3 MET 94 3HG MET 94 6.291 1.336 6.449 746 HE1 MET 94 3HE MET 94 6.051 -1.102 8.947 747 HE2 MET 94 1HE MET 94 5.431 -2.306 7.805 748 HE3 MET 94 2HE MET 94 6.728 -1.198 7.302 749 H ILE 95 H ILE 95 6.628 3.869 5.965 750 HA ILE 95 HA ILE 95 9.202 3.035 5.125 751 HB ILE 95 HB ILE 95 7.180 4.992 3.995 752 HG12 ILE 95 2HG1 ILE 95 8.291 2.333 2.952 753 HG13 ILE 95 3HG1 ILE 95 6.846 2.466 3.943 754 HG21 ILE 95 1HG2 ILE 95 9.850 4.293 2.679 755 HG22 ILE 95 2HG2 ILE 95 8.526 5.205 1.925 756 HG23 ILE 95 3HG2 ILE 95 9.383 5.889 3.291 757 HD11 ILE 95 3HD1 ILE 95 7.238 3.594 1.152 758 HD12 ILE 95 1HD1 ILE 95 6.143 2.317 1.657 759 HD13 ILE 95 2HD1 ILE 95 5.848 3.992 2.196 760 H LYS 96 H LYS 96 8.023 6.296 6.236 761 HA LYS 96 HA LYS 96 10.623 7.500 5.952 762 HB2 LYS 96 2HB LYS 96 8.141 8.213 7.576 763 HB3 LYS 96 3HB LYS 96 9.575 9.236 7.572 764 HG2 LYS 96 2HG LYS 96 9.330 9.694 5.214 765 HG3 LYS 96 3HG LYS 96 8.014 8.521 5.052 766 HD2 LYS 96 2HD LYS 96 6.578 9.854 6.541 767 HD3 LYS 96 3HD LYS 96 7.913 10.972 6.846 768 HE2 LYS 96 2HE LYS 96 7.941 11.411 4.312 769 HE3 LYS 96 3HE LYS 96 6.377 10.580 4.243 770 HZ1 LYS 96 3HZ LYS 96 6.331 13.082 4.499 771 HZ2 LYS 96 1HZ LYS 96 6.914 12.898 6.000 772 HZ3 LYS 96 2HZ LYS 96 5.435 12.270 5.622 773 H GLU 97 H GLU 97 9.267 5.567 8.585 774 HA GLU 97 HA GLU 97 11.228 6.444 10.540 775 HB2 GLU 97 2HB GLU 97 9.504 3.927 10.315 776 HB3 GLU 97 3HB GLU 97 10.581 4.255 11.663 777 HG2 GLU 97 2HG GLU 97 9.295 6.240 12.289 778 HG3 GLU 97 3HG GLU 97 8.211 5.996 10.916 779 H LEU 98 H LEU 98 10.957 3.712 8.275 780 HA LEU 98 HA LEU 98 13.363 2.355 9.084 781 HB2 LEU 98 2HB LEU 98 11.648 2.198 6.586 782 HB3 LEU 98 3HB LEU 98 12.911 1.030 6.998 783 HG LEU 98 HG LEU 98 10.538 1.657 8.781 784 HD11 LEU 98 1HD1 LEU 98 9.711 0.810 6.663 785 HD12 LEU 98 2HD1 LEU 98 9.500 -0.397 7.938 786 HD13 LEU 98 3HD1 LEU 98 10.821 -0.572 6.747 787 HD21 LEU 98 3HD2 LEU 98 11.112 -0.748 9.634 788 HD22 LEU 98 1HD2 LEU 98 12.030 0.656 10.197 789 HD23 LEU 98 2HD2 LEU 98 12.719 -0.390 8.950 790 H THR 99 H THR 99 12.689 4.814 6.640 791 HA THR 99 HA THR 99 15.327 4.378 5.363 792 HB THR 99 HB THR 99 14.822 6.449 4.081 793 HG1 THR 99 1HG THR 99 13.503 7.538 5.444 794 HG21 THR 99 3HG2 THR 99 13.115 5.476 2.689 795 HG22 THR 99 1HG2 THR 99 12.610 4.370 3.992 796 HG23 THR 99 2HG2 THR 99 14.217 4.220 3.255 797 H THR 100 H THR 100 14.371 6.003 8.211 798 HA THR 100 HA THR 100 16.826 7.678 8.093 799 HB THR 100 HB THR 100 14.338 8.583 8.152 800 HG1 THR 100 1HG THR 100 16.190 9.712 7.879 801 HG21 THR 100 3HG2 THR 100 14.969 8.625 11.113 802 HG22 THR 100 1HG2 THR 100 13.696 7.664 10.322 803 HG23 THR 100 2HG2 THR 100 13.630 9.428 10.275 804 H GLU 101 H GLU 101 17.312 8.370 10.607 805 HA GLU 101 HA GLU 101 17.921 5.822 12.002 806 HB2 GLU 101 2HB GLU 101 19.863 6.757 10.795 807 HB3 GLU 101 3HB GLU 101 19.656 8.306 11.599 808 HG2 GLU 101 2HG GLU 101 20.290 7.399 13.740 809 HG3 GLU 101 3HG GLU 101 20.201 5.740 13.137 810 H LYS 102 H LYS 102 18.376 6.115 14.307 811 HA LYS 102 HA LYS 102 16.331 7.436 15.754 812 HB2 LYS 102 2HB LYS 102 19.110 6.523 16.622 813 HB3 LYS 102 3HB LYS 102 17.861 7.020 17.746 814 HG2 LYS 102 2HG LYS 102 17.565 4.624 15.887 815 HG3 LYS 102 3HG LYS 102 18.248 4.583 17.511 816 HD2 LYS 102 2HD LYS 102 16.020 5.576 18.339 817 HD3 LYS 102 3HD LYS 102 15.389 5.172 16.745 818 HE2 LYS 102 2HE LYS 102 14.855 3.384 18.288 819 HE3 LYS 102 3HE LYS 102 16.015 2.778 17.108 820 HZ1 LYS 102 3HZ LYS 102 16.782 3.694 19.827 821 HZ2 LYS 102 1HZ LYS 102 17.738 2.885 18.770 822 HZ3 LYS 102 2HZ LYS 102 16.463 2.137 19.455 823 H LYS 103 H LYS 103 16.598 9.231 17.291 824 HA LYS 103 HA LYS 103 17.819 11.503 16.035 825 HB2 LYS 103 2HB LYS 103 16.310 10.980 18.606 826 HB3 LYS 103 3HB LYS 103 17.262 12.447 18.506 827 HG2 LYS 103 2HG LYS 103 15.014 12.954 17.801 828 HG3 LYS 103 3HG LYS 103 16.129 13.142 16.449 829 HD2 LYS 103 2HD LYS 103 14.117 12.166 15.639 830 HD3 LYS 103 3HD LYS 103 15.376 10.950 15.522 831 HE2 LYS 103 2HE LYS 103 14.553 9.883 17.617 832 HE3 LYS 103 3HE LYS 103 13.337 11.152 17.797 833 HZ1 LYS 103 3HZ LYS 103 12.231 10.389 15.865 834 HZ2 LYS 103 1HZ LYS 103 12.540 9.052 16.783 835 HZ3 LYS 103 2HZ LYS 103 13.449 9.346 15.459 836 H ALA 104 H ALA 104 19.491 12.836 16.717 837 HA ALA 104 HA ALA 104 21.479 11.859 18.655 838 HB1 ALA 104 1HB ALA 104 22.192 11.018 16.429 839 HB2 ALA 104 2HB ALA 104 22.113 12.672 15.793 840 HB3 ALA 104 3HB ALA 104 23.279 12.278 17.059 841 H ARG 105 H ARG 105 21.252 13.501 20.091 842 HA ARG 105 HA ARG 105 21.387 16.316 19.078 843 HB2 ARG 105 2HB ARG 105 19.148 15.660 19.964 844 HB3 ARG 105 3HB ARG 105 19.874 15.366 21.536 845 HG2 ARG 105 2HG ARG 105 20.501 17.785 21.683 846 HG3 ARG 105 3HG ARG 105 19.911 18.027 20.038 847 HD2 ARG 105 2HD ARG 105 18.259 18.839 21.583 848 HD3 ARG 105 3HD ARG 105 17.623 17.420 20.767 849 HE ARG 105 HE ARG 105 17.426 16.343 22.761 850 HH11 ARG 105 1HH1 ARG 105 19.429 19.203 23.390 851 HH12 ARG 105 2HH1 ARG 105 19.227 19.119 25.100 852 HH21 ARG 105 1HH2 ARG 105 17.260 16.160 24.926 853 HH22 ARG 105 2HH2 ARG 105 17.990 17.278 26.033 854 H ARG 106 H ARG 106 23.607 14.677 19.460 855 HA ARG 106 HA ARG 106 25.125 16.087 21.487 856 HB2 ARG 106 2HB ARG 106 24.721 13.051 21.374 857 HB3 ARG 106 3HB ARG 106 26.230 13.716 21.972 858 HG2 ARG 106 2HG ARG 106 23.512 14.371 23.167 859 HG3 ARG 106 3HG ARG 106 24.604 13.117 23.756 860 HD2 ARG 106 2HD ARG 106 26.356 14.819 24.177 861 HD3 ARG 106 3HD ARG 106 25.258 16.095 23.652 862 HE ARG 106 HE ARG 106 25.112 14.455 26.117 863 HH11 ARG 106 1HH1 ARG 106 23.829 17.283 24.356 864 HH12 ARG 106 2HH1 ARG 106 22.856 17.796 25.679 865 HH21 ARG 106 1HH2 ARG 106 24.043 15.171 27.805 866 HH22 ARG 106 2HH2 ARG 106 22.992 16.549 27.801 867 HA PRO 107 HA PRO 107 27.744 16.049 17.969 868 HB2 PRO 107 2HB PRO 107 30.303 16.055 19.009 869 HB3 PRO 107 3HB PRO 107 29.211 17.470 19.046 870 HG2 PRO 107 2HG PRO 107 29.757 15.474 21.232 871 HG3 PRO 107 3HG PRO 107 29.639 17.243 21.373 872 HD2 PRO 107 2HD PRO 107 27.578 15.554 22.008 873 HD3 PRO 107 3HD PRO 107 27.255 17.161 21.318 874 H THR 108 H THR 108 27.708 14.222 16.707 875 HA THR 108 HA THR 108 28.144 11.600 17.741 876 HB THR 108 HB THR 108 28.106 11.137 15.155 877 HG1 THR 108 1HG THR 108 28.461 13.029 14.244 878 HG21 THR 108 3HG2 THR 108 26.198 10.776 16.645 879 HG22 THR 108 1HG2 THR 108 25.642 11.490 15.132 880 HG23 THR 108 2HG2 THR 108 25.772 12.500 16.590 881 H ARG 109 H ARG 109 29.805 10.104 16.886 882 HA ARG 109 HA ARG 109 32.425 11.260 17.304 883 HB2 ARG 109 2HB ARG 109 31.549 9.024 18.220 884 HB3 ARG 109 3HB ARG 109 31.687 8.388 16.589 885 HG2 ARG 109 2HG ARG 109 33.681 7.772 17.684 886 HG3 ARG 109 3HG ARG 109 34.119 9.102 16.619 887 HD2 ARG 109 2HD ARG 109 35.281 9.472 18.655 888 HD3 ARG 109 3HD ARG 109 33.984 10.653 18.617 889 HE ARG 109 HE ARG 109 32.765 9.448 20.234 890 HH11 ARG 109 1HH1 ARG 109 35.751 7.658 19.467 891 HH12 ARG 109 2HH1 ARG 109 35.867 6.900 21.012 892 HH21 ARG 109 1HH2 ARG 109 32.895 8.437 22.310 893 HH22 ARG 109 2HH2 ARG 109 34.235 7.411 22.684 894 H SER 110 H SER 110 32.607 12.661 15.491 895 HA SER 110 HA SER 110 32.415 11.733 12.789 896 HB2 SER 110 2HB SER 110 34.028 14.105 13.821 897 HB3 SER 110 3HB SER 110 33.319 13.899 12.212 898 HG SER 110 HG SER 110 32.178 14.682 14.622 899 H GLY 111 H GLY 111 34.197 11.714 11.207 900 HA2 GLY 111 2HA GLY 111 36.183 11.066 10.379 901 HA3 GLY 111 3HA GLY 111 36.936 11.462 11.934 902 HA PRO 112 HA PRO 112 36.878 6.823 11.247 903 HB2 PRO 112 2HB PRO 112 39.556 6.325 11.002 904 HB3 PRO 112 3HB PRO 112 38.573 6.902 9.623 905 HG2 PRO 112 2HG PRO 112 40.284 8.567 11.502 906 HG3 PRO 112 3HG PRO 112 40.294 8.568 9.707 907 HD2 PRO 112 2HD PRO 112 38.863 10.391 11.151 908 HD3 PRO 112 3HD PRO 112 38.234 9.729 9.607 909 H SER 113 H SER 113 38.018 5.186 12.698 910 HA SER 113 HA SER 113 38.677 6.363 15.365 911 HB2 SER 113 2HB SER 113 36.378 5.289 15.061 912 HB3 SER 113 3HB SER 113 37.234 3.743 14.939 913 HG SER 113 HG SER 113 37.225 5.612 17.105 914 H SER 114 H SER 114 40.512 5.734 13.164 915 HA SER 114 HA SER 114 42.561 4.452 14.540 916 HB2 SER 114 2HB SER 114 41.093 2.417 13.724 917 HB3 SER 114 3HB SER 114 41.668 2.857 12.106 918 HG SER 114 HG SER 114 43.027 1.833 14.318 919 H GLY 115 H GLY 115 44.357 4.074 12.642 920 HA2 GLY 115 2HA GLY 115 45.072 4.856 10.425 921 HA3 GLY 115 3HA GLY 115 44.183 6.353 10.698 922 H GLU 116 H GLU 116 45.467 5.819 13.653 923 HA GLU 116 HA GLU 116 47.259 7.861 13.797 924 HB2 GLU 116 2HB GLU 116 46.205 6.455 15.646 925 HB3 GLU 116 3HB GLU 116 47.396 5.210 15.308 926 HG2 GLU 116 2HG GLU 116 48.178 6.399 17.195 927 HG3 GLU 116 3HG GLU 116 49.230 6.859 15.859 928 H ASN 117 H ASN 117 48.073 4.451 13.100 929 HA ASN 117 HA ASN 117 50.928 5.129 12.623 930 HB2 ASN 117 2HB ASN 117 49.370 2.584 13.048 931 HB3 ASN 117 3HB ASN 117 50.767 2.516 11.997 932 HD21 ASN 117 1HD2 ASN 117 50.508 4.684 14.873 933 HD22 ASN 117 2HD2 ASN 117 51.813 3.878 15.719 934 H LEU 118 H LEU 118 50.182 6.656 11.026 935 HA LEU 118 HA LEU 118 49.043 5.721 8.548 936 HB2 LEU 118 2HB LEU 118 48.828 8.039 9.584 937 HB3 LEU 118 3HB LEU 118 50.476 8.350 9.078 938 HG LEU 118 HG LEU 118 48.833 9.331 7.583 939 HD11 LEU 118 1HD1 LEU 118 51.000 8.531 6.603 940 HD12 LEU 118 2HD1 LEU 118 49.663 8.678 5.446 941 HD13 LEU 118 3HD1 LEU 118 50.150 7.080 6.027 942 HD21 LEU 118 3HD2 LEU 118 47.017 7.655 7.937 943 HD22 LEU 118 1HD2 LEU 118 47.869 6.541 6.848 944 HD23 LEU 118 2HD2 LEU 118 47.272 8.093 6.237 945 H TYR 119 H TYR 119 50.192 4.342 7.397 946 HA TYR 119 HA TYR 119 53.050 4.892 6.777 947 HB2 TYR 119 2HB TYR 119 51.681 2.194 7.112 948 HB3 TYR 119 3HB TYR 119 53.341 2.430 6.593 949 HD1 TYR 119 2HD TYR 119 54.406 4.467 8.479 950 HD2 TYR 119 1HD TYR 119 51.798 1.096 9.185 951 HE1 TYR 119 2HE TYR 119 55.203 4.341 10.809 952 HE2 TYR 119 1HE TYR 119 52.618 0.954 11.514 953 HH TYR 119 HH TYR 119 53.680 2.259 13.208 954 H PHE 120 H PHE 120 53.514 3.342 4.669 955 HA PHE 120 HA PHE 120 51.399 3.903 2.666 956 HB2 PHE 120 2HB PHE 120 53.240 5.589 2.594 957 HB3 PHE 120 3HB PHE 120 54.409 4.291 2.377 958 HD1 PHE 120 1HD PHE 120 54.385 2.921 0.256 959 HD2 PHE 120 2HD PHE 120 51.856 6.374 0.774 960 HE1 PHE 120 1HE PHE 120 54.009 3.016 -2.192 961 HE2 PHE 120 2HE PHE 120 51.490 6.473 -1.677 962 HZ PHE 120 HZ PHE 120 52.566 4.794 -3.166 963 H GLN 121 H GLN 121 50.715 1.926 1.885 964 HA GLN 121 HA GLN 121 52.511 -0.167 1.175 965 HB2 GLN 121 2HB GLN 121 52.170 -0.714 3.553 966 HB3 GLN 121 3HB GLN 121 50.426 -0.464 3.404 967 HG2 GLN 121 2HG GLN 121 50.132 -2.423 2.093 968 HG3 GLN 121 3HG GLN 121 51.857 -2.547 1.733 969 HE21 GLN 121 1HE2 GLN 121 53.321 -3.264 3.404 970 HE22 GLN 121 2HE2 GLN 121 52.690 -4.180 4.783
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