NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8991 | 1n88 | 5650 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -5.703 -17.550 8.712 2 2H MET 1 2HT MET 1 -5.994 -19.105 8.094 3 3H MET 1 3HT MET 1 -7.078 -18.413 9.202 4 HA MET 1 HA MET 1 -7.550 -18.398 6.604 5 1HB MET 1 2HB MET 1 -8.807 -16.180 7.234 6 2HB MET 1 1HB MET 1 -9.189 -17.655 8.129 7 1HG MET 1 2HG MET 1 -6.920 -16.253 9.300 8 2HG MET 1 1HG MET 1 -8.349 -15.222 9.221 9 1HE MET 1 1HE MET 1 -7.364 -16.033 12.279 10 2HE MET 1 2HE MET 1 -9.075 -15.953 12.687 11 3HE MET 1 3HE MET 1 -8.424 -14.890 11.441 12 H LYS 2 H LYS 2 -5.990 -17.834 5.019 13 HA LYS 2 HA LYS 2 -4.539 -15.286 5.345 14 1HB LYS 2 2HB LYS 2 -4.247 -16.406 2.710 15 2HB LYS 2 1HB LYS 2 -3.033 -16.258 3.955 16 1HG LYS 2 2HG LYS 2 -4.057 -18.372 5.000 17 2HG LYS 2 1HG LYS 2 -4.916 -18.569 3.471 18 1HD LYS 2 2HD LYS 2 -3.063 -19.646 2.747 19 2HD LYS 2 1HD LYS 2 -2.318 -18.050 2.660 20 1HE LYS 2 2HE LYS 2 -1.883 -18.480 5.254 21 2HE LYS 2 1HE LYS 2 -1.987 -20.178 4.743 22 1HZ LYS 2 1HZ LYS 2 -0.227 -19.963 3.319 23 2HZ LYS 2 2HZ LYS 2 0.253 -18.866 4.524 24 3HZ LYS 2 3HZ LYS 2 -0.457 -18.298 3.089 25 H THR 3 H THR 3 -6.832 -14.369 5.447 26 HA THR 3 HA THR 3 -7.883 -13.805 2.709 27 HB THR 3 HB THR 3 -9.894 -13.077 4.154 28 HG1 THR 3 1HG THR 3 -8.730 -14.675 6.128 29 1HG2 THR 3 1HG2 THR 3 -9.416 -15.373 2.974 30 2HG2 THR 3 2HG2 THR 3 -10.735 -15.256 4.139 31 3HG2 THR 3 3HG2 THR 3 -9.192 -15.958 4.622 32 H ALA 4 H ALA 4 -8.878 -11.714 5.226 33 HA ALA 4 HA ALA 4 -7.438 -9.451 4.021 34 1HB ALA 4 1HB ALA 4 -8.805 -8.395 6.030 35 2HB ALA 4 2HB ALA 4 -9.591 -9.978 6.030 36 3HB ALA 4 3HB ALA 4 -9.633 -8.968 4.581 37 H TYR 5 H TYR 5 -6.790 -11.782 6.314 38 HA TYR 5 HA TYR 5 -5.545 -10.605 8.526 39 1HB TYR 5 2HB TYR 5 -4.499 -12.763 8.668 40 2HB TYR 5 1HB TYR 5 -6.020 -13.045 7.819 41 HD1 TYR 5 1HD TYR 5 -2.933 -14.295 7.751 42 HD2 TYR 5 2HD TYR 5 -5.459 -12.043 5.106 43 HE1 TYR 5 1HE TYR 5 -1.652 -15.122 5.787 44 HE2 TYR 5 2HE TYR 5 -4.210 -12.852 3.173 45 HH TYR 5 HH TYR 5 -1.457 -15.104 3.583 46 H ASP 6 H ASP 6 -2.871 -11.876 7.910 47 HA ASP 6 HA ASP 6 -1.020 -9.963 7.668 48 1HB ASP 6 2HB ASP 6 -1.347 -12.636 6.345 49 2HB ASP 6 1HB ASP 6 0.111 -11.696 6.027 50 H VAL 7 H VAL 7 -2.342 -11.425 4.674 51 HA VAL 7 HA VAL 7 -1.150 -9.722 2.810 52 HB VAL 7 HB VAL 7 -3.899 -11.014 2.792 53 1HG1 VAL 7 1HG1 VAL 7 -4.135 -10.319 0.670 54 2HG1 VAL 7 2HG1 VAL 7 -2.519 -10.890 0.259 55 3HG1 VAL 7 3HG1 VAL 7 -2.741 -9.264 0.915 56 1HG2 VAL 7 1HG2 VAL 7 -1.730 -12.397 3.201 57 2HG2 VAL 7 2HG2 VAL 7 -1.388 -12.058 1.506 58 3HG2 VAL 7 3HG2 VAL 7 -2.853 -12.935 1.949 59 H ILE 8 H ILE 8 -4.478 -9.146 2.376 60 HA ILE 8 HA ILE 8 -4.051 -6.260 2.685 61 HB ILE 8 HB ILE 8 -6.525 -7.834 1.921 62 1HG1 ILE 8 2HG1 ILE 8 -4.442 -6.739 0.025 63 2HG1 ILE 8 1HG1 ILE 8 -4.370 -8.389 0.633 64 1HG2 ILE 8 1HG2 ILE 8 -5.974 -5.346 0.513 65 2HG2 ILE 8 2HG2 ILE 8 -6.038 -5.083 2.258 66 3HG2 ILE 8 3HG2 ILE 8 -7.414 -5.809 1.425 67 1HD1 ILE 8 1HD1 ILE 8 -6.948 -8.338 -0.124 68 2HD1 ILE 8 2HD1 ILE 8 -5.648 -8.795 -1.222 69 3HD1 ILE 8 3HD1 ILE 8 -6.298 -7.157 -1.261 70 H LEU 9 H LEU 9 -4.095 -5.616 4.833 71 HA LEU 9 HA LEU 9 -5.859 -6.795 6.820 72 1HB LEU 9 2HB LEU 9 -4.008 -4.415 6.653 73 2HB LEU 9 1HB LEU 9 -4.954 -4.744 8.106 74 HG LEU 9 HG LEU 9 -3.148 -6.797 6.804 75 1HD1 LEU 9 1HD1 LEU 9 -1.460 -6.242 8.415 76 2HD1 LEU 9 2HD1 LEU 9 -2.544 -5.142 9.266 77 3HD1 LEU 9 3HD1 LEU 9 -1.944 -4.723 7.661 78 1HD2 LEU 9 1HD2 LEU 9 -3.751 -8.181 8.523 79 2HD2 LEU 9 2HD2 LEU 9 -5.183 -7.153 8.579 80 3HD2 LEU 9 3HD2 LEU 9 -3.842 -6.859 9.686 81 H ALA 10 H ALA 10 -5.746 -3.309 6.652 82 HA ALA 10 HA ALA 10 -8.724 -3.281 6.393 83 1HB ALA 10 1HB ALA 10 -8.626 -1.728 8.042 84 2HB ALA 10 2HB ALA 10 -7.348 -0.831 7.222 85 3HB ALA 10 3HB ALA 10 -6.943 -2.217 8.234 86 HA PRO 11 HA PRO 11 -8.452 -1.080 2.600 87 1HB PRO 11 2HB PRO 11 -10.775 0.352 2.708 88 2HB PRO 11 1HB PRO 11 -10.739 -1.400 2.431 89 1HG PRO 11 2HG PRO 11 -11.382 0.110 4.900 90 2HG PRO 11 1HG PRO 11 -12.052 -1.412 4.299 91 1HD PRO 11 2HD PRO 11 -10.165 -1.201 6.302 92 2HD PRO 11 1HD PRO 11 -10.451 -2.656 5.325 93 H VAL 12 H VAL 12 -8.232 1.135 1.729 94 HA VAL 12 HA VAL 12 -7.525 3.135 3.852 95 HB VAL 12 HB VAL 12 -5.544 2.523 2.728 96 1HG1 VAL 12 1HG1 VAL 12 -6.113 1.136 0.972 97 2HG1 VAL 12 2HG1 VAL 12 -5.678 2.587 0.067 98 3HG1 VAL 12 3HG1 VAL 12 -7.374 2.220 0.385 99 1HG2 VAL 12 1HG2 VAL 12 -5.913 4.984 2.695 100 2HG2 VAL 12 2HG2 VAL 12 -6.655 4.834 1.102 101 3HG2 VAL 12 3HG2 VAL 12 -4.948 4.443 1.322 102 H LEU 13 H LEU 13 -9.049 4.743 3.919 103 HA LEU 13 HA LEU 13 -10.612 5.362 1.461 104 1HB LEU 13 2HB LEU 13 -10.907 6.136 4.383 105 2HB LEU 13 1HB LEU 13 -12.060 6.547 3.113 106 HG LEU 13 HG LEU 13 -12.948 4.586 4.111 107 1HD1 LEU 13 1HD1 LEU 13 -12.918 2.989 2.334 108 2HD1 LEU 13 2HD1 LEU 13 -11.302 3.481 1.825 109 3HD1 LEU 13 3HD1 LEU 13 -12.673 4.559 1.567 110 1HD2 LEU 13 1HD2 LEU 13 -11.708 2.870 5.020 111 2HD2 LEU 13 2HD2 LEU 13 -10.489 4.142 5.095 112 3HD2 LEU 13 3HD2 LEU 13 -10.463 2.971 3.776 113 H SER 14 H SER 14 -9.662 6.930 0.217 114 HA SER 14 HA SER 14 -8.968 9.516 1.469 115 1HB SER 14 2HB SER 14 -6.745 9.057 -0.104 116 2HB SER 14 1HB SER 14 -6.798 8.852 1.645 117 HG SER 14 HG SER 14 -6.378 6.843 1.202 118 H GLU 15 H GLU 15 -8.735 11.212 -0.179 119 HA GLU 15 HA GLU 15 -10.558 11.268 -2.255 120 1HB GLU 15 2HB GLU 15 -8.896 13.031 -1.271 121 2HB GLU 15 1HB GLU 15 -7.821 12.494 -2.563 122 1HG GLU 15 2HG GLU 15 -10.588 13.018 -3.435 123 2HG GLU 15 1HG GLU 15 -9.730 14.444 -2.849 124 H LYS 16 H LYS 16 -7.069 10.631 -2.809 125 HA LYS 16 HA LYS 16 -7.257 9.800 -5.483 126 1HB LYS 16 2HB LYS 16 -5.372 9.865 -3.339 127 2HB LYS 16 1HB LYS 16 -5.268 8.277 -4.099 128 1HG LYS 16 2HG LYS 16 -5.227 9.540 -6.341 129 2HG LYS 16 1HG LYS 16 -4.905 10.986 -5.383 130 1HD LYS 16 2HD LYS 16 -2.733 10.297 -5.770 131 2HD LYS 16 1HD LYS 16 -3.061 9.409 -4.281 132 1HE LYS 16 2HE LYS 16 -3.896 8.031 -6.774 133 2HE LYS 16 1HE LYS 16 -2.146 8.202 -6.539 134 1HZ LYS 16 1HZ LYS 16 -4.131 6.939 -4.751 135 2HZ LYS 16 2HZ LYS 16 -2.652 7.514 -4.142 136 3HZ LYS 16 3HZ LYS 16 -2.671 6.299 -5.330 137 H ALA 17 H ALA 17 -8.321 8.177 -2.621 138 HA ALA 17 HA ALA 17 -8.414 5.532 -3.989 139 1HB ALA 17 1HB ALA 17 -8.310 6.593 -1.244 140 2HB ALA 17 2HB ALA 17 -7.749 5.041 -1.866 141 3HB ALA 17 3HB ALA 17 -9.445 5.258 -1.439 142 H TYR 18 H TYR 18 -10.603 7.706 -2.148 143 HA TYR 18 HA TYR 18 -13.028 6.351 -2.685 144 1HB TYR 18 2HB TYR 18 -12.150 9.120 -1.992 145 2HB TYR 18 1HB TYR 18 -13.821 8.913 -2.519 146 HD1 TYR 18 1HD TYR 18 -12.281 9.418 0.344 147 HD2 TYR 18 2HD TYR 18 -14.454 6.218 -1.520 148 HE1 TYR 18 1HE TYR 18 -12.872 8.519 2.580 149 HE2 TYR 18 2HE TYR 18 -15.043 5.312 0.716 150 HH TYR 18 HH TYR 18 -15.233 6.604 3.224 151 H ALA 19 H ALA 19 -11.752 9.221 -4.426 152 HA ALA 19 HA ALA 19 -13.648 9.082 -6.564 153 1HB ALA 19 1HB ALA 19 -12.618 11.079 -6.849 154 2HB ALA 19 2HB ALA 19 -11.202 10.226 -7.461 155 3HB ALA 19 3HB ALA 19 -11.333 10.597 -5.742 156 H GLY 20 H GLY 20 -10.979 7.129 -5.770 157 1HA GLY 20 2HA GLY 20 -10.413 6.245 -8.525 158 2HA GLY 20 1HA GLY 20 -9.647 5.625 -7.054 159 H PHE 21 H PHE 21 -11.795 4.982 -5.499 160 HA PHE 21 HA PHE 21 -12.621 2.418 -6.277 161 1HB PHE 21 2HB PHE 21 -14.048 4.598 -4.708 162 2HB PHE 21 1HB PHE 21 -14.541 2.913 -4.707 163 HD1 PHE 21 1HD PHE 21 -14.162 3.457 -2.134 164 HD2 PHE 21 2HD PHE 21 -11.021 3.069 -5.038 165 HE1 PHE 21 1HE PHE 21 -12.535 3.008 -0.320 166 HE2 PHE 21 2HE PHE 21 -9.400 2.620 -3.225 167 HZ PHE 21 HZ PHE 21 -10.153 2.586 -0.864 168 H ALA 22 H ALA 22 -13.755 5.565 -7.178 169 HA ALA 22 HA ALA 22 -16.252 5.370 -8.189 170 1HB ALA 22 1HB ALA 22 -14.763 7.319 -8.358 171 2HB ALA 22 2HB ALA 22 -15.479 6.961 -9.928 172 3HB ALA 22 3HB ALA 22 -13.812 6.493 -9.591 173 H GLU 23 H GLU 23 -13.346 3.983 -9.688 174 HA GLU 23 HA GLU 23 -14.939 2.873 -11.919 175 1HB GLU 23 2HB GLU 23 -12.585 3.984 -11.970 176 2HB GLU 23 1HB GLU 23 -12.010 2.435 -11.358 177 1HG GLU 23 2HG GLU 23 -12.032 1.636 -13.460 178 2HG GLU 23 1HG GLU 23 -13.784 1.845 -13.486 179 H GLY 24 H GLY 24 -13.702 1.892 -8.846 180 1HA GLY 24 2HA GLY 24 -14.704 -0.219 -7.964 181 2HA GLY 24 1HA GLY 24 -14.296 -0.925 -9.521 182 H LYS 25 H LYS 25 -11.860 1.183 -8.714 183 HA LYS 25 HA LYS 25 -10.006 -1.006 -8.098 184 1HB LYS 25 2HB LYS 25 -9.880 1.975 -8.557 185 2HB LYS 25 1HB LYS 25 -8.456 1.102 -7.992 186 1HG LYS 25 2HG LYS 25 -9.686 -0.337 -10.172 187 2HG LYS 25 1HG LYS 25 -9.376 1.330 -10.654 188 1HD LYS 25 2HD LYS 25 -7.044 0.865 -9.449 189 2HD LYS 25 1HD LYS 25 -7.441 -0.804 -9.861 190 1HE LYS 25 2HE LYS 25 -8.022 0.838 -12.143 191 2HE LYS 25 1HE LYS 25 -6.372 1.194 -11.591 192 1HZ LYS 25 1HZ LYS 25 -5.883 -1.142 -11.522 193 2HZ LYS 25 2HZ LYS 25 -6.481 -0.767 -13.067 194 3HZ LYS 25 3HZ LYS 25 -7.479 -1.543 -11.933 195 H TYR 26 H TYR 26 -9.232 -1.498 -6.027 196 HA TYR 26 HA TYR 26 -10.038 0.369 -3.825 197 1HB TYR 26 2HB TYR 26 -10.012 -2.661 -3.852 198 2HB TYR 26 1HB TYR 26 -10.545 -1.645 -2.512 199 HD1 TYR 26 1HD TYR 26 -11.994 -3.740 -4.575 200 HD2 TYR 26 2HD TYR 26 -11.978 0.510 -3.957 201 HE1 TYR 26 1HE TYR 26 -14.252 -3.584 -5.587 202 HE2 TYR 26 2HE TYR 26 -14.237 0.666 -4.968 203 HH TYR 26 HH TYR 26 -15.711 -0.521 -6.363 204 H THR 27 H THR 27 -8.198 1.238 -3.070 205 HA THR 27 HA THR 27 -5.622 -0.093 -3.083 206 HB THR 27 HB THR 27 -6.549 2.425 -1.668 207 HG1 THR 27 1HG THR 27 -6.687 3.302 -3.552 208 1HG2 THR 27 1HG2 THR 27 -4.120 1.119 -1.589 209 2HG2 THR 27 2HG2 THR 27 -4.364 2.834 -1.256 210 3HG2 THR 27 3HG2 THR 27 -3.875 2.310 -2.867 211 H PHE 28 H PHE 28 -4.704 -1.125 -1.279 212 HA PHE 28 HA PHE 28 -6.270 -1.061 1.270 213 1HB PHE 28 2HB PHE 28 -5.844 -3.226 -0.638 214 2HB PHE 28 1HB PHE 28 -5.304 -3.663 0.985 215 HD1 PHE 28 1HD PHE 28 -8.164 -2.917 -1.136 216 HD2 PHE 28 2HD PHE 28 -6.859 -3.485 2.914 217 HE1 PHE 28 1HE PHE 28 -10.524 -3.185 -0.417 218 HE2 PHE 28 2HE PHE 28 -9.222 -3.753 3.638 219 HZ PHE 28 HZ PHE 28 -11.052 -3.604 1.970 220 H TRP 29 H TRP 29 -5.007 -1.923 3.111 221 HA TRP 29 HA TRP 29 -2.119 -1.224 2.886 222 1HB TRP 29 2HB TRP 29 -4.171 -1.437 5.108 223 2HB TRP 29 1HB TRP 29 -2.446 -1.377 5.473 224 HD1 TRP 29 HD TRP 29 -5.325 0.815 4.891 225 HE1 TRP 29 1HE TRP 29 -4.566 3.248 4.500 226 HE3 TRP 29 3HE TRP 29 -0.330 0.070 4.153 227 HZ2 TRP 29 2HZ TRP 29 -2.155 4.687 3.946 228 HZ3 TRP 29 3HZ TRP 29 1.175 1.983 3.698 229 HH2 TRP 29 HH TRP 29 0.270 4.290 3.592 230 H VAL 30 H VAL 30 -0.787 -3.017 2.693 231 HA VAL 30 HA VAL 30 -1.716 -5.527 3.983 232 HB VAL 30 HB VAL 30 -2.583 -5.544 1.787 233 1HG1 VAL 30 1HG1 VAL 30 -0.782 -5.271 -0.141 234 2HG1 VAL 30 2HG1 VAL 30 0.059 -4.328 1.089 235 3HG1 VAL 30 3HG1 VAL 30 -1.559 -3.857 0.568 236 1HG2 VAL 30 1HG2 VAL 30 -1.903 -7.595 1.370 237 2HG2 VAL 30 2HG2 VAL 30 -0.642 -7.367 2.577 238 3HG2 VAL 30 3HG2 VAL 30 -0.309 -7.025 0.883 239 H HIS 31 H HIS 31 -0.071 -7.077 4.273 240 HA HIS 31 HA HIS 31 2.459 -6.078 5.137 241 1HB HIS 31 2HB HIS 31 0.952 -8.368 5.373 242 2HB HIS 31 1HB HIS 31 2.304 -8.924 4.386 243 HD1 HIS 31 1HD HIS 31 3.936 -9.990 5.949 244 HD2 HIS 31 2HD HIS 31 2.389 -6.453 7.521 245 HE1 HIS 31 1HE HIS 31 5.153 -9.583 8.133 246 HA PRO 32 HA PRO 32 4.809 -6.019 1.421 247 1HB PRO 32 2HB PRO 32 7.305 -6.394 2.470 248 2HB PRO 32 1HB PRO 32 6.405 -4.877 2.633 249 1HG PRO 32 2HG PRO 32 6.780 -7.066 4.606 250 2HG PRO 32 1HG PRO 32 6.745 -5.314 4.857 251 1HD PRO 32 2HD PRO 32 4.639 -6.968 5.401 252 2HD PRO 32 1HD PRO 32 4.465 -5.248 4.988 253 H LYS 33 H LYS 33 3.675 -8.255 1.058 254 HA LYS 33 HA LYS 33 5.619 -10.179 0.193 255 1HB LYS 33 2HB LYS 33 4.888 -11.905 2.002 256 2HB LYS 33 1HB LYS 33 6.045 -10.659 2.471 257 1HG LYS 33 2HG LYS 33 4.626 -9.935 4.057 258 2HG LYS 33 1HG LYS 33 3.414 -9.591 2.829 259 1HD LYS 33 2HD LYS 33 3.862 -12.359 3.969 260 2HD LYS 33 1HD LYS 33 2.682 -11.226 4.630 261 1HE LYS 33 2HE LYS 33 1.527 -11.118 2.462 262 2HE LYS 33 1HE LYS 33 2.731 -12.216 1.756 263 1HZ LYS 33 1HZ LYS 33 2.138 -13.649 3.829 264 2HZ LYS 33 2HZ LYS 33 1.146 -13.704 2.451 265 3HZ LYS 33 3HZ LYS 33 0.687 -12.771 3.794 266 H ALA 34 H ALA 34 2.311 -9.584 1.317 267 HA ALA 34 HA ALA 34 0.864 -11.727 0.340 268 1HB ALA 34 1HB ALA 34 0.480 -8.895 0.858 269 2HB ALA 34 2HB ALA 34 -0.656 -10.225 1.079 270 3HB ALA 34 3HB ALA 34 -0.529 -9.425 -0.487 271 H THR 35 H THR 35 1.873 -12.638 -1.566 272 HA THR 35 HA THR 35 2.760 -11.459 -3.893 273 HB THR 35 HB THR 35 1.308 -13.610 -4.823 274 HG1 THR 35 1HG THR 35 0.859 -14.914 -3.209 275 1HG2 THR 35 1HG2 THR 35 3.855 -13.828 -3.207 276 2HG2 THR 35 2HG2 THR 35 3.801 -13.169 -4.842 277 3HG2 THR 35 3HG2 THR 35 3.348 -14.850 -4.552 278 H LYS 36 H LYS 36 1.818 -10.546 -5.747 279 HA LYS 36 HA LYS 36 -0.449 -8.976 -5.665 280 1HB LYS 36 2HB LYS 36 1.038 -10.455 -7.797 281 2HB LYS 36 1HB LYS 36 -0.482 -9.681 -8.249 282 1HG LYS 36 2HG LYS 36 1.038 -7.875 -6.607 283 2HG LYS 36 1HG LYS 36 2.055 -8.448 -7.930 284 1HD LYS 36 2HD LYS 36 0.663 -7.560 -9.568 285 2HD LYS 36 1HD LYS 36 -0.761 -7.608 -8.529 286 1HE LYS 36 2HE LYS 36 -0.402 -5.469 -7.881 287 2HE LYS 36 1HE LYS 36 1.249 -5.871 -7.365 288 1HZ LYS 36 1HZ LYS 36 0.950 -4.259 -9.332 289 2HZ LYS 36 2HZ LYS 36 0.583 -5.655 -10.231 290 3HZ LYS 36 3HZ LYS 36 2.096 -5.502 -9.473 291 H THR 37 H THR 37 -0.386 -12.340 -6.924 292 HA THR 37 HA THR 37 -3.200 -12.577 -7.305 293 HB THR 37 HB THR 37 -0.898 -14.419 -6.922 294 HG1 THR 37 1HG THR 37 -0.945 -14.343 -9.002 295 1HG2 THR 37 1HG2 THR 37 -2.881 -15.498 -5.863 296 2HG2 THR 37 2HG2 THR 37 -2.325 -16.354 -7.301 297 3HG2 THR 37 3HG2 THR 37 -3.746 -15.314 -7.389 298 H GLU 38 H GLU 38 -1.121 -13.185 -4.500 299 HA GLU 38 HA GLU 38 -2.967 -14.502 -2.804 300 1HB GLU 38 2HB GLU 38 -0.445 -13.060 -2.659 301 2HB GLU 38 1HB GLU 38 -1.427 -12.751 -1.228 302 1HG GLU 38 2HG GLU 38 -1.098 -15.559 -2.260 303 2HG GLU 38 1HG GLU 38 0.144 -14.836 -1.237 304 H ILE 39 H ILE 39 -2.405 -11.011 -3.308 305 HA ILE 39 HA ILE 39 -4.262 -10.016 -1.406 306 HB ILE 39 HB ILE 39 -2.961 -9.117 -3.948 307 1HG1 ILE 39 2HG1 ILE 39 -3.131 -7.423 -1.517 308 2HG1 ILE 39 1HG1 ILE 39 -2.303 -8.968 -1.320 309 1HG2 ILE 39 1HG2 ILE 39 -4.719 -7.819 -4.545 310 2HG2 ILE 39 2HG2 ILE 39 -4.317 -6.844 -3.132 311 3HG2 ILE 39 3HG2 ILE 39 -5.553 -8.095 -3.016 312 1HD1 ILE 39 1HD1 ILE 39 -1.458 -6.570 -2.792 313 2HD1 ILE 39 2HD1 ILE 39 -1.293 -8.060 -3.722 314 3HD1 ILE 39 3HD1 ILE 39 -0.488 -7.901 -2.161 315 H LYS 40 H LYS 40 -4.696 -11.309 -4.659 316 HA LYS 40 HA LYS 40 -7.375 -10.494 -5.171 317 1HB LYS 40 2HB LYS 40 -5.667 -11.634 -6.685 318 2HB LYS 40 1HB LYS 40 -6.063 -13.141 -5.862 319 1HG LYS 40 2HG LYS 40 -8.371 -13.003 -6.561 320 2HG LYS 40 1HG LYS 40 -8.120 -11.390 -7.229 321 1HD LYS 40 2HD LYS 40 -6.484 -13.724 -8.204 322 2HD LYS 40 1HD LYS 40 -8.090 -13.414 -8.864 323 1HE LYS 40 2HE LYS 40 -6.686 -10.919 -8.789 324 2HE LYS 40 1HE LYS 40 -5.641 -12.122 -9.572 325 1HZ LYS 40 1HZ LYS 40 -8.495 -12.151 -10.221 326 2HZ LYS 40 2HZ LYS 40 -7.159 -12.538 -11.197 327 3HZ LYS 40 3HZ LYS 40 -7.555 -10.912 -10.898 328 H ASN 41 H ASN 41 -6.095 -13.400 -3.560 329 HA ASN 41 HA ASN 41 -8.678 -14.540 -2.947 330 1HB ASN 41 2HB ASN 41 -5.819 -14.949 -2.086 331 2HB ASN 41 1HB ASN 41 -7.122 -15.872 -1.337 332 1HD2 ASN 41 1HD2 ASN 41 -6.157 -14.920 -4.695 333 2HD2 ASN 41 2HD2 ASN 41 -6.466 -16.447 -5.367 334 H ALA 42 H ALA 42 -6.461 -12.389 -1.161 335 HA ALA 42 HA ALA 42 -7.605 -12.639 1.414 336 1HB ALA 42 1HB ALA 42 -5.548 -11.459 1.119 337 2HB ALA 42 2HB ALA 42 -6.725 -10.244 1.647 338 3HB ALA 42 3HB ALA 42 -6.279 -10.358 -0.059 339 H VAL 43 H VAL 43 -8.473 -10.287 -1.151 340 HA VAL 43 HA VAL 43 -10.744 -9.265 0.372 341 HB VAL 43 HB VAL 43 -11.238 -8.221 -1.942 342 1HG1 VAL 43 1HG1 VAL 43 -8.477 -7.457 -1.228 343 2HG1 VAL 43 2HG1 VAL 43 -9.613 -7.488 0.122 344 3HG1 VAL 43 3HG1 VAL 43 -9.943 -6.477 -1.284 345 1HG2 VAL 43 1HG2 VAL 43 -8.422 -9.080 -2.577 346 2HG2 VAL 43 2HG2 VAL 43 -9.659 -8.445 -3.662 347 3HG2 VAL 43 3HG2 VAL 43 -9.789 -10.092 -3.045 348 H GLU 44 H GLU 44 -10.317 -11.673 -2.200 349 HA GLU 44 HA GLU 44 -13.052 -12.013 -2.921 350 1HB GLU 44 2HB GLU 44 -10.482 -13.276 -3.297 351 2HB GLU 44 1HB GLU 44 -11.718 -14.508 -3.042 352 1HG GLU 44 2HG GLU 44 -12.436 -12.267 -4.864 353 2HG GLU 44 1HG GLU 44 -11.244 -13.421 -5.464 354 H THR 45 H THR 45 -11.204 -13.217 -0.166 355 HA THR 45 HA THR 45 -13.219 -15.166 0.662 356 HB THR 45 HB THR 45 -11.732 -15.423 2.566 357 HG1 THR 45 1HG THR 45 -11.391 -13.275 3.060 358 1HG2 THR 45 1HG2 THR 45 -10.648 -15.176 -0.164 359 2HG2 THR 45 2HG2 THR 45 -10.525 -16.512 0.981 360 3HG2 THR 45 3HG2 THR 45 -9.432 -15.133 1.113 361 H ALA 46 H ALA 46 -12.197 -11.934 1.809 362 HA ALA 46 HA ALA 46 -14.426 -11.821 3.736 363 1HB ALA 46 1HB ALA 46 -13.238 -9.363 3.723 364 2HB ALA 46 2HB ALA 46 -11.938 -10.361 3.069 365 3HB ALA 46 3HB ALA 46 -12.631 -10.737 4.647 366 H PHE 47 H PHE 47 -13.361 -9.788 0.969 367 HA PHE 47 HA PHE 47 -15.840 -8.301 0.874 368 1HB PHE 47 2HB PHE 47 -13.691 -8.714 -1.227 369 2HB PHE 47 1HB PHE 47 -14.832 -7.372 -1.150 370 HD1 PHE 47 1HD PHE 47 -12.025 -6.689 -1.254 371 HD2 PHE 47 2HD PHE 47 -14.402 -7.794 2.150 372 HE1 PHE 47 1HE PHE 47 -10.469 -5.461 0.234 373 HE2 PHE 47 2HE PHE 47 -12.846 -6.563 3.636 374 HZ PHE 47 HZ PHE 47 -10.879 -5.398 2.679 375 H LYS 48 H LYS 48 -14.921 -11.407 -0.240 376 HA LYS 48 HA LYS 48 -15.918 -12.929 -1.757 377 1HB LYS 48 2HB LYS 48 -18.292 -11.469 -0.550 378 2HB LYS 48 1HB LYS 48 -18.354 -13.065 -1.298 379 1HG LYS 48 2HG LYS 48 -16.900 -13.993 0.387 380 2HG LYS 48 1HG LYS 48 -16.569 -12.394 1.055 381 1HD LYS 48 2HD LYS 48 -18.568 -12.295 2.164 382 2HD LYS 48 1HD LYS 48 -19.430 -13.168 0.898 383 1HE LYS 48 2HE LYS 48 -17.386 -14.661 2.511 384 2HE LYS 48 1HE LYS 48 -18.978 -14.346 3.229 385 1HZ LYS 48 1HZ LYS 48 -18.905 -15.226 0.445 386 2HZ LYS 48 2HZ LYS 48 -20.045 -15.564 1.659 387 3HZ LYS 48 3HZ LYS 48 -18.563 -16.395 1.626 388 H VAL 49 H VAL 49 -15.035 -10.696 -3.143 389 HA VAL 49 HA VAL 49 -17.284 -10.111 -5.024 390 HB VAL 49 HB VAL 49 -15.738 -8.430 -3.494 391 1HG1 VAL 49 1HG1 VAL 49 -14.009 -7.449 -4.673 392 2HG1 VAL 49 2HG1 VAL 49 -14.652 -7.945 -6.236 393 3HG1 VAL 49 3HG1 VAL 49 -13.846 -9.124 -5.200 394 1HG2 VAL 49 1HG2 VAL 49 -16.588 -6.654 -5.042 395 2HG2 VAL 49 2HG2 VAL 49 -17.811 -7.808 -4.512 396 3HG2 VAL 49 3HG2 VAL 49 -17.116 -7.939 -6.128 397 H LYS 50 H LYS 50 -15.741 -9.148 -7.121 398 HA LYS 50 HA LYS 50 -14.152 -11.565 -7.920 399 1HB LYS 50 2HB LYS 50 -16.475 -10.852 -8.991 400 2HB LYS 50 1HB LYS 50 -15.462 -9.719 -9.890 401 1HG LYS 50 2HG LYS 50 -14.735 -12.640 -9.689 402 2HG LYS 50 1HG LYS 50 -15.845 -12.058 -10.933 403 1HD LYS 50 2HD LYS 50 -13.993 -10.286 -11.414 404 2HD LYS 50 1HD LYS 50 -12.936 -11.391 -10.535 405 1HE LYS 50 2HE LYS 50 -12.902 -11.843 -12.989 406 2HE LYS 50 1HE LYS 50 -13.564 -13.222 -12.088 407 1HZ LYS 50 1HZ LYS 50 -15.369 -11.070 -12.953 408 2HZ LYS 50 2HZ LYS 50 -15.706 -12.713 -12.683 409 3HZ LYS 50 3HZ LYS 50 -14.884 -12.232 -14.089 410 H VAL 51 H VAL 51 -12.024 -10.959 -7.791 411 HA VAL 51 HA VAL 51 -11.156 -8.197 -8.173 412 HB VAL 51 HB VAL 51 -9.850 -10.886 -7.736 413 1HG1 VAL 51 1HG1 VAL 51 -8.277 -9.647 -9.093 414 2HG1 VAL 51 2HG1 VAL 51 -7.719 -9.560 -7.422 415 3HG1 VAL 51 3HG1 VAL 51 -8.543 -8.181 -8.151 416 1HG2 VAL 51 1HG2 VAL 51 -9.107 -9.172 -5.718 417 2HG2 VAL 51 2HG2 VAL 51 -10.480 -10.274 -5.636 418 3HG2 VAL 51 3HG2 VAL 51 -10.727 -8.592 -6.102 419 H VAL 52 H VAL 52 -10.894 -7.326 -10.184 420 HA VAL 52 HA VAL 52 -10.278 -9.166 -12.463 421 HB VAL 52 HB VAL 52 -12.402 -7.827 -12.460 422 1HG1 VAL 52 1HG1 VAL 52 -11.937 -5.815 -11.391 423 2HG1 VAL 52 2HG1 VAL 52 -11.913 -5.324 -13.078 424 3HG1 VAL 52 3HG1 VAL 52 -10.399 -5.603 -12.216 425 1HG2 VAL 52 1HG2 VAL 52 -10.927 -6.516 -14.618 426 2HG2 VAL 52 2HG2 VAL 52 -12.268 -7.666 -14.707 427 3HG2 VAL 52 3HG2 VAL 52 -10.609 -8.247 -14.510 428 H LYS 53 H LYS 53 -8.645 -7.303 -10.362 429 HA LYS 53 HA LYS 53 -6.249 -7.083 -11.828 430 1HB LYS 53 2HB LYS 53 -8.310 -5.137 -12.499 431 2HB LYS 53 1HB LYS 53 -6.838 -4.344 -11.934 432 1HG LYS 53 2HG LYS 53 -5.843 -6.316 -13.582 433 2HG LYS 53 1HG LYS 53 -7.320 -5.836 -14.419 434 1HD LYS 53 2HD LYS 53 -6.560 -3.423 -14.113 435 2HD LYS 53 1HD LYS 53 -5.002 -4.073 -13.601 436 1HE LYS 53 2HE LYS 53 -4.407 -4.295 -15.773 437 2HE LYS 53 1HE LYS 53 -5.760 -5.418 -16.015 438 1HZ LYS 53 1HZ LYS 53 -7.200 -3.345 -16.047 439 2HZ LYS 53 2HZ LYS 53 -6.233 -3.619 -17.417 440 3HZ LYS 53 3HZ LYS 53 -5.764 -2.468 -16.259 441 H VAL 54 H VAL 54 -4.868 -7.011 -10.099 442 HA VAL 54 HA VAL 54 -5.566 -5.173 -7.837 443 HB VAL 54 HB VAL 54 -4.849 -8.022 -7.999 444 1HG1 VAL 54 1HG1 VAL 54 -2.667 -7.146 -7.200 445 2HG1 VAL 54 2HG1 VAL 54 -3.498 -8.055 -5.939 446 3HG1 VAL 54 3HG1 VAL 54 -3.498 -6.291 -5.899 447 1HG2 VAL 54 1HG2 VAL 54 -5.748 -6.597 -5.526 448 2HG2 VAL 54 2HG2 VAL 54 -6.267 -8.157 -6.171 449 3HG2 VAL 54 3HG2 VAL 54 -6.847 -6.662 -6.905 450 H ASN 55 H ASN 55 -4.138 -3.507 -7.704 451 HA ASN 55 HA ASN 55 -1.314 -3.999 -8.579 452 1HB ASN 55 2HB ASN 55 -3.318 -2.102 -9.410 453 2HB ASN 55 1HB ASN 55 -1.975 -1.232 -8.669 454 1HD2 ASN 55 1HD2 ASN 55 -3.011 -2.416 -11.616 455 2HD2 ASN 55 2HD2 ASN 55 -1.506 -2.604 -12.379 456 H THR 56 H THR 56 -0.044 -4.025 -6.770 457 HA THR 56 HA THR 56 -0.815 -2.203 -4.530 458 HB THR 56 HB THR 56 -0.779 -4.097 -3.285 459 HG1 THR 56 1HG THR 56 1.921 -4.298 -4.116 460 1HG2 THR 56 1HG2 THR 56 0.457 -5.453 -5.695 461 2HG2 THR 56 2HG2 THR 56 -1.247 -5.455 -5.236 462 3HG2 THR 56 3HG2 THR 56 -0.063 -6.294 -4.235 463 H LEU 57 H LEU 57 0.864 -1.067 -3.464 464 HA LEU 57 HA LEU 57 3.571 -1.146 -4.720 465 1HB LEU 57 2HB LEU 57 3.474 1.315 -4.941 466 2HB LEU 57 1HB LEU 57 2.160 0.562 -5.843 467 HG LEU 57 HG LEU 57 1.149 0.929 -3.248 468 1HD1 LEU 57 1HD1 LEU 57 2.666 2.518 -2.494 469 2HD1 LEU 57 2HD1 LEU 57 1.483 3.558 -3.289 470 3HD1 LEU 57 3HD1 LEU 57 2.983 3.135 -4.116 471 1HD2 LEU 57 1HD2 LEU 57 -0.539 1.598 -4.581 472 2HD2 LEU 57 2HD2 LEU 57 0.566 1.626 -5.955 473 3HD2 LEU 57 3HD2 LEU 57 0.346 3.073 -4.971 474 H HIS 58 H HIS 58 5.227 -0.264 -3.286 475 HA HIS 58 HA HIS 58 4.777 -0.766 -0.487 476 1HB HIS 58 2HB HIS 58 6.917 -0.132 -2.320 477 2HB HIS 58 1HB HIS 58 7.084 0.835 -0.853 478 HD1 HIS 58 1HD HIS 58 9.091 -1.437 -1.375 479 HD2 HIS 58 2HD HIS 58 5.579 -1.939 0.816 480 HE1 HIS 58 1HE HIS 58 9.453 -3.461 0.105 481 H VAL 59 H VAL 59 4.140 0.616 1.118 482 HA VAL 59 HA VAL 59 3.863 3.524 0.430 483 HB VAL 59 HB VAL 59 2.078 3.039 2.469 484 1HG1 VAL 59 1HG1 VAL 59 0.373 3.239 0.774 485 2HG1 VAL 59 2HG1 VAL 59 1.478 2.662 -0.474 486 3HG1 VAL 59 3HG1 VAL 59 1.743 4.234 0.281 487 1HG2 VAL 59 1HG2 VAL 59 0.831 0.979 1.775 488 2HG2 VAL 59 2HG2 VAL 59 2.422 0.625 2.444 489 3HG2 VAL 59 3HG2 VAL 59 2.169 0.574 0.700 490 H ARG 60 H ARG 60 4.875 4.933 1.819 491 HA ARG 60 HA ARG 60 5.970 3.805 4.377 492 1HB ARG 60 2HB ARG 60 7.053 6.077 2.684 493 2HB ARG 60 1HB ARG 60 7.876 5.246 4.004 494 1HG ARG 60 2HG ARG 60 7.063 4.030 1.348 495 2HG ARG 60 1HG ARG 60 8.707 4.391 1.873 496 1HD ARG 60 2HD ARG 60 8.508 2.766 3.709 497 2HD ARG 60 1HD ARG 60 6.833 2.423 3.235 498 HE ARG 60 HE ARG 60 8.419 2.119 0.915 499 1HH1 ARG 60 1HH2 ARG 60 6.625 -0.021 2.010 500 2HH1 ARG 60 2HH2 ARG 60 7.757 -1.269 2.413 501 1HH2 ARG 60 1HH1 ARG 60 10.513 0.832 2.311 502 2HH2 ARG 60 2HH1 ARG 60 9.957 -0.786 2.584 503 H GLY 61 H GLY 61 5.906 5.223 6.222 504 1HA GLY 61 2HA GLY 61 3.620 6.734 6.669 505 2HA GLY 61 1HA GLY 61 5.131 7.021 7.535 506 H LYS 62 H LYS 62 3.260 9.075 6.737 507 HA LYS 62 HA LYS 62 3.729 10.495 4.404 508 1HB LYS 62 2HB LYS 62 2.185 11.190 6.156 509 2HB LYS 62 1HB LYS 62 3.526 11.476 7.268 510 1HG LYS 62 2HG LYS 62 3.810 13.554 6.457 511 2HG LYS 62 1HG LYS 62 3.989 12.921 4.820 512 1HD LYS 62 2HD LYS 62 1.520 12.832 4.600 513 2HD LYS 62 1HD LYS 62 1.364 13.520 6.217 514 1HE LYS 62 2HE LYS 62 3.175 15.161 4.697 515 2HE LYS 62 1HE LYS 62 1.674 14.941 3.775 516 1HZ LYS 62 1HZ LYS 62 0.460 15.386 5.888 517 2HZ LYS 62 2HZ LYS 62 1.319 16.725 5.291 518 3HZ LYS 62 3HZ LYS 62 1.935 15.829 6.597 519 H LYS 63 H LYS 63 5.412 11.655 7.307 520 HA LYS 63 HA LYS 63 7.672 12.591 5.707 521 1HB LYS 63 2HB LYS 63 6.507 12.928 8.339 522 2HB LYS 63 1HB LYS 63 8.251 12.698 8.467 523 1HG LYS 63 2HG LYS 63 8.381 14.912 7.985 524 2HG LYS 63 1HG LYS 63 8.061 14.413 6.325 525 1HD LYS 63 2HD LYS 63 5.896 15.155 6.375 526 2HD LYS 63 1HD LYS 63 5.681 14.729 8.073 527 1HE LYS 63 2HE LYS 63 7.264 16.684 8.609 528 2HE LYS 63 1HE LYS 63 7.015 17.193 6.927 529 1HZ LYS 63 1HZ LYS 63 4.680 16.428 8.531 530 2HZ LYS 63 2HZ LYS 63 4.793 17.541 7.253 531 3HZ LYS 63 3HZ LYS 63 5.368 17.956 8.797 532 H LYS 64 H LYS 64 6.876 9.558 6.676 533 HA LYS 64 HA LYS 64 8.104 7.621 7.309 534 1HB LYS 64 2HB LYS 64 9.801 7.221 5.644 535 2HB LYS 64 1HB LYS 64 8.552 8.205 4.880 536 1HG LYS 64 2HG LYS 64 9.864 10.193 5.076 537 2HG LYS 64 1HG LYS 64 11.009 9.413 6.169 538 1HD LYS 64 2HD LYS 64 11.245 7.741 4.085 539 2HD LYS 64 1HD LYS 64 10.766 9.192 3.205 540 1HE LYS 64 2HE LYS 64 12.889 9.480 5.300 541 2HE LYS 64 1HE LYS 64 13.334 8.735 3.751 542 1HZ LYS 64 1HZ LYS 64 12.697 10.590 2.566 543 2HZ LYS 64 2HZ LYS 64 13.356 11.304 3.960 544 3HZ LYS 64 3HZ LYS 64 11.671 11.164 3.788 545 H ARG 65 H ARG 65 8.598 9.961 9.070 546 HA ARG 65 HA ARG 65 11.083 8.994 10.311 547 1HB ARG 65 2HB ARG 65 10.933 11.327 8.555 548 2HB ARG 65 1HB ARG 65 11.563 11.736 10.151 549 1HG ARG 65 2HG ARG 65 13.530 10.748 9.684 550 2HG ARG 65 1HG ARG 65 12.715 9.247 9.248 551 1HD ARG 65 2HD ARG 65 13.487 9.699 7.141 552 2HD ARG 65 1HD ARG 65 12.150 10.865 7.077 553 HE ARG 65 HE ARG 65 13.700 12.629 7.550 554 1HH1 ARG 65 1HH2 ARG 65 15.274 10.090 6.208 555 2HH1 ARG 65 2HH2 ARG 65 16.823 10.394 6.920 556 1HH2 ARG 65 1HH1 ARG 65 15.631 12.775 9.141 557 2HH2 ARG 65 2HH1 ARG 65 17.025 11.914 8.582 558 H LEU 66 H LEU 66 8.765 11.730 10.266 559 HA LEU 66 HA LEU 66 7.630 12.790 12.051 560 1HB LEU 66 2HB LEU 66 7.543 9.937 12.288 561 2HB LEU 66 1HB LEU 66 7.659 10.618 13.912 562 HG LEU 66 HG LEU 66 5.311 10.473 13.311 563 1HD1 LEU 66 1HD1 LEU 66 6.335 12.594 14.428 564 2HD1 LEU 66 2HD1 LEU 66 4.684 12.684 13.814 565 3HD1 LEU 66 3HD1 LEU 66 6.011 13.372 12.878 566 1HD2 LEU 66 1HD2 LEU 66 5.794 12.328 10.986 567 2HD2 LEU 66 2HD2 LEU 66 4.409 11.281 11.295 568 3HD2 LEU 66 3HD2 LEU 66 5.945 10.583 10.778 569 H GLY 67 H GLY 67 9.027 14.322 12.944 570 1HA GLY 67 2HA GLY 67 10.738 15.204 14.301 571 2HA GLY 67 1HA GLY 67 10.045 14.116 15.502 572 H ARG 68 H ARG 68 12.445 14.126 16.137 573 HA ARG 68 HA ARG 68 14.527 12.978 14.647 574 1HB ARG 68 2HB ARG 68 13.881 13.627 17.356 575 2HB ARG 68 1HB ARG 68 14.614 12.022 17.345 576 1HG ARG 68 2HG ARG 68 16.315 13.207 15.668 577 2HG ARG 68 1HG ARG 68 15.790 14.649 16.540 578 1HD ARG 68 2HD ARG 68 17.237 14.092 18.194 579 2HD ARG 68 1HD ARG 68 16.248 12.653 18.508 580 HE ARG 68 HE ARG 68 17.670 11.833 16.347 581 1HH1 ARG 68 1HH1 ARG 68 19.133 14.206 18.159 582 2HH1 ARG 68 2HH1 ARG 68 20.491 13.255 18.659 583 1HH2 ARG 68 1HH2 ARG 68 19.191 10.278 17.444 584 2HH2 ARG 68 2HH2 ARG 68 20.525 11.030 18.254 585 H TYR 69 H TYR 69 15.426 10.650 15.615 586 HA TYR 69 HA TYR 69 14.208 8.572 14.274 587 1HB TYR 69 2HB TYR 69 16.379 8.596 15.559 588 2HB TYR 69 1HB TYR 69 15.443 8.379 17.039 589 HD1 TYR 69 1HD TYR 69 13.639 6.403 16.904 590 HD2 TYR 69 2HD TYR 69 17.186 6.688 14.499 591 HE1 TYR 69 1HE TYR 69 13.559 3.959 16.497 592 HE2 TYR 69 2HE TYR 69 17.106 4.243 14.092 593 HH TYR 69 HH TYR 69 14.376 2.346 14.826 594 H LEU 70 H LEU 70 11.957 8.356 14.341 595 HA LEU 70 HA LEU 70 10.799 7.285 16.831 596 1HB LEU 70 2HB LEU 70 10.770 9.977 16.455 597 2HB LEU 70 1HB LEU 70 9.273 9.523 15.644 598 HG LEU 70 HG LEU 70 8.931 8.060 17.836 599 1HD1 LEU 70 1HD1 LEU 70 10.701 8.413 19.235 600 2HD1 LEU 70 2HD1 LEU 70 9.816 9.878 19.662 601 3HD1 LEU 70 3HD1 LEU 70 11.120 9.949 18.477 602 1HD2 LEU 70 1HD2 LEU 70 8.406 10.972 17.320 603 2HD2 LEU 70 2HD2 LEU 70 7.945 10.280 18.876 604 3HD2 LEU 70 3HD2 LEU 70 7.265 9.628 17.384 605 H GLY 71 H GLY 71 11.251 6.193 14.263 606 1HA GLY 71 2HA GLY 71 9.117 4.666 13.635 607 2HA GLY 71 1HA GLY 71 8.656 6.181 12.859 608 H LYS 72 H LYS 72 10.589 7.144 11.500 609 HA LYS 72 HA LYS 72 12.079 6.868 9.680 610 1HB LYS 72 2HB LYS 72 12.700 4.938 11.669 611 2HB LYS 72 1HB LYS 72 12.771 4.102 10.117 612 1HG LYS 72 2HG LYS 72 14.118 6.769 10.599 613 2HG LYS 72 1HG LYS 72 14.937 5.226 10.853 614 1HD LYS 72 2HD LYS 72 13.900 4.809 8.380 615 2HD LYS 72 1HD LYS 72 14.153 6.554 8.320 616 1HE LYS 72 2HE LYS 72 16.338 4.735 9.339 617 2HE LYS 72 1HE LYS 72 16.137 5.030 7.601 618 1HZ LYS 72 1HZ LYS 72 17.416 6.822 8.150 619 2HZ LYS 72 2HZ LYS 72 16.820 6.917 9.738 620 3HZ LYS 72 3HZ LYS 72 15.884 7.488 8.440 621 H ARG 73 H ARG 73 11.762 6.209 7.534 622 HA ARG 73 HA ARG 73 9.360 5.267 6.563 623 1HB ARG 73 2HB ARG 73 11.285 6.151 5.255 624 2HB ARG 73 1HB ARG 73 12.126 4.619 5.493 625 1HG ARG 73 2HG ARG 73 9.421 4.213 4.492 626 2HG ARG 73 1HG ARG 73 10.372 5.227 3.406 627 1HD ARG 73 2HD ARG 73 11.980 3.010 4.372 628 2HD ARG 73 1HD ARG 73 10.498 2.422 3.594 629 HE ARG 73 HE ARG 73 11.226 4.299 1.813 630 1HH1 ARG 73 1HH1 ARG 73 12.883 1.699 3.335 631 2HH1 ARG 73 2HH1 ARG 73 14.188 1.684 2.199 632 1HH2 ARG 73 1HH2 ARG 73 13.017 4.417 0.414 633 2HH2 ARG 73 2HH2 ARG 73 14.265 3.223 0.544 634 HA PRO 74 HA PRO 74 9.653 1.097 8.290 635 1HB PRO 74 2HB PRO 74 6.966 0.652 8.299 636 2HB PRO 74 1HB PRO 74 7.789 1.570 9.575 637 1HG PRO 74 2HG PRO 74 6.167 2.539 7.292 638 2HG PRO 74 1HG PRO 74 6.313 3.189 8.930 639 1HD PRO 74 2HD PRO 74 7.572 4.227 6.702 640 2HD PRO 74 1HD PRO 74 8.097 4.490 8.379 641 H ASP 75 H ASP 75 7.945 -0.851 7.418 642 HA ASP 75 HA ASP 75 8.323 -0.856 4.455 643 1HB ASP 75 2HB ASP 75 9.379 -2.501 6.424 644 2HB ASP 75 1HB ASP 75 7.997 -3.428 5.839 645 H ARG 76 H ARG 76 6.211 0.026 4.123 646 HA ARG 76 HA ARG 76 3.950 -1.796 4.877 647 1HB ARG 76 2HB ARG 76 4.388 0.893 5.435 648 2HB ARG 76 1HB ARG 76 3.284 0.940 4.062 649 1HG ARG 76 2HG ARG 76 2.873 -0.401 6.736 650 2HG ARG 76 1HG ARG 76 1.882 0.845 5.983 651 1HD ARG 76 2HD ARG 76 1.323 -0.804 4.151 652 2HD ARG 76 1HD ARG 76 2.149 -2.050 5.105 653 HE ARG 76 HE ARG 76 -0.434 -0.871 5.751 654 1HH1 ARG 76 1HH2 ARG 76 0.502 -3.682 6.397 655 2HH1 ARG 76 2HH2 ARG 76 0.649 -3.607 8.121 656 1HH2 ARG 76 1HH1 ARG 76 0.602 -0.142 8.240 657 2HH2 ARG 76 2HH1 ARG 76 0.705 -1.603 9.165 658 H LYS 77 H LYS 77 2.481 -2.366 3.214 659 HA LYS 77 HA LYS 77 3.250 -1.486 0.448 660 1HB LYS 77 2HB LYS 77 3.938 -3.742 0.729 661 2HB LYS 77 1HB LYS 77 2.475 -4.160 1.620 662 1HG LYS 77 2HG LYS 77 1.122 -3.861 -0.397 663 2HG LYS 77 1HG LYS 77 2.550 -3.355 -1.302 664 1HD LYS 77 2HD LYS 77 3.371 -5.487 -1.469 665 2HD LYS 77 1HD LYS 77 2.748 -5.961 0.112 666 1HE LYS 77 2HE LYS 77 0.851 -6.811 -0.803 667 2HE LYS 77 1HE LYS 77 0.601 -5.358 -1.792 668 1HZ LYS 77 1HZ LYS 77 1.112 -7.301 -3.169 669 2HZ LYS 77 2HZ LYS 77 2.589 -7.496 -2.353 670 3HZ LYS 77 3HZ LYS 77 2.316 -6.114 -3.302 671 H LYS 78 H LYS 78 1.553 -0.889 -0.900 672 HA LYS 78 HA LYS 78 -1.184 -0.847 0.312 673 1HB LYS 78 2HB LYS 78 0.437 1.130 -0.753 674 2HB LYS 78 1HB LYS 78 -0.634 0.748 -2.100 675 1HG LYS 78 2HG LYS 78 -2.583 0.994 -0.528 676 2HG LYS 78 1HG LYS 78 -1.455 1.562 0.701 677 1HD LYS 78 2HD LYS 78 -2.634 3.377 -0.666 678 2HD LYS 78 1HD LYS 78 -0.877 3.492 -0.578 679 1HE LYS 78 2HE LYS 78 -0.593 2.922 -2.802 680 2HE LYS 78 1HE LYS 78 -2.047 1.907 -2.832 681 1HZ LYS 78 1HZ LYS 78 -2.654 3.849 -3.972 682 2HZ LYS 78 2HZ LYS 78 -1.877 4.863 -2.852 683 3HZ LYS 78 3HZ LYS 78 -3.306 4.052 -2.420 684 H ALA 79 H ALA 79 -2.976 -1.569 -1.036 685 HA ALA 79 HA ALA 79 -2.183 -2.985 -3.558 686 1HB ALA 79 1HB ALA 79 -4.345 -4.127 -1.922 687 2HB ALA 79 2HB ALA 79 -2.731 -4.211 -1.207 688 3HB ALA 79 3HB ALA 79 -3.035 -4.941 -2.789 689 H ILE 80 H ILE 80 -3.331 -2.241 -5.237 690 HA ILE 80 HA ILE 80 -6.013 -1.037 -4.749 691 HB ILE 80 HB ILE 80 -3.933 -0.902 -6.934 692 1HG1 ILE 80 2HG1 ILE 80 -4.011 1.482 -6.405 693 2HG1 ILE 80 1HG1 ILE 80 -5.313 1.216 -5.255 694 1HG2 ILE 80 1HG2 ILE 80 -6.854 -0.426 -7.067 695 2HG2 ILE 80 2HG2 ILE 80 -5.713 -0.782 -8.363 696 3HG2 ILE 80 3HG2 ILE 80 -5.847 0.859 -7.734 697 1HD1 ILE 80 1HD1 ILE 80 -3.917 0.211 -3.706 698 2HD1 ILE 80 2HD1 ILE 80 -2.798 1.361 -4.440 699 3HD1 ILE 80 3HD1 ILE 80 -2.772 -0.332 -4.933 700 H VAL 81 H VAL 81 -7.599 -2.559 -4.952 701 HA VAL 81 HA VAL 81 -7.266 -4.730 -6.987 702 HB VAL 81 HB VAL 81 -9.287 -4.542 -4.744 703 1HG1 VAL 81 1HG1 VAL 81 -8.200 -7.151 -5.291 704 2HG1 VAL 81 2HG1 VAL 81 -8.744 -6.417 -6.800 705 3HG1 VAL 81 3HG1 VAL 81 -9.867 -6.596 -5.451 706 1HG2 VAL 81 1HG2 VAL 81 -7.271 -6.208 -3.841 707 2HG2 VAL 81 2HG2 VAL 81 -7.528 -4.545 -3.310 708 3HG2 VAL 81 3HG2 VAL 81 -6.374 -4.891 -4.600 709 H GLN 82 H GLN 82 -8.621 -4.714 -8.785 710 HA GLN 82 HA GLN 82 -10.903 -2.775 -8.734 711 1HB GLN 82 2HB GLN 82 -9.234 -2.263 -10.388 712 2HB GLN 82 1HB GLN 82 -9.158 -3.933 -10.922 713 1HG GLN 82 2HG GLN 82 -10.647 -3.321 -12.506 714 2HG GLN 82 1HG GLN 82 -11.833 -3.325 -11.205 715 1HE2 GLN 82 1HE2 GLN 82 -12.681 -1.298 -10.515 716 2HE2 GLN 82 2HE2 GLN 82 -12.206 0.186 -11.186 717 H VAL 83 H VAL 83 -12.956 -3.585 -9.419 718 HA VAL 83 HA VAL 83 -12.981 -6.543 -9.747 719 HB VAL 83 HB VAL 83 -14.998 -6.622 -8.553 720 1HG1 VAL 83 1HG1 VAL 83 -13.464 -4.279 -7.379 721 2HG1 VAL 83 2HG1 VAL 83 -13.111 -5.983 -7.092 722 3HG1 VAL 83 3HG1 VAL 83 -14.622 -5.286 -6.508 723 1HG2 VAL 83 1HG2 VAL 83 -16.136 -4.868 -9.878 724 2HG2 VAL 83 2HG2 VAL 83 -15.262 -3.628 -8.970 725 3HG2 VAL 83 3HG2 VAL 83 -16.428 -4.668 -8.147 726 H ALA 84 H ALA 84 -14.557 -7.384 -11.241 727 HA ALA 84 HA ALA 84 -14.613 -6.100 -13.764 728 1HB ALA 84 1HB ALA 84 -15.637 -8.452 -12.423 729 2HB ALA 84 2HB ALA 84 -15.165 -8.247 -14.115 730 3HB ALA 84 3HB ALA 84 -16.805 -7.840 -13.596 731 HA PRO 85 HA PRO 85 -18.096 -3.453 -13.774 732 1HB PRO 85 2HB PRO 85 -19.583 -4.265 -15.928 733 2HB PRO 85 1HB PRO 85 -18.032 -3.435 -16.084 734 1HG PRO 85 2HG PRO 85 -18.656 -6.295 -16.355 735 2HG PRO 85 1HG PRO 85 -17.510 -5.309 -17.260 736 1HD PRO 85 2HD PRO 85 -16.786 -7.028 -15.254 737 2HD PRO 85 1HD PRO 85 -15.848 -5.599 -15.712 738 H GLY 86 H GLY 86 -20.195 -3.279 -12.909 739 1HA GLY 86 2HA GLY 86 -22.362 -4.060 -12.255 740 2HA GLY 86 1HA GLY 86 -21.889 -5.694 -12.724 741 H GLN 87 H GLN 87 -19.274 -5.114 -11.155 742 HA GLN 87 HA GLN 87 -20.329 -6.111 -8.566 743 1HB GLN 87 2HB GLN 87 -17.642 -5.967 -9.940 744 2HB GLN 87 1HB GLN 87 -17.790 -6.461 -8.252 745 1HG GLN 87 2HG GLN 87 -19.010 -8.385 -8.787 746 2HG GLN 87 1HG GLN 87 -19.503 -7.752 -10.357 747 1HE2 GLN 87 1HE2 GLN 87 -18.478 -10.181 -10.683 748 2HE2 GLN 87 2HE2 GLN 87 -16.857 -10.161 -11.185 749 H LYS 88 H LYS 88 -19.085 -5.258 -6.579 750 HA LYS 88 HA LYS 88 -17.837 -2.677 -6.571 751 1HB LYS 88 2HB LYS 88 -19.810 -1.377 -5.731 752 2HB LYS 88 1HB LYS 88 -20.027 -1.951 -7.384 753 1HG LYS 88 2HG LYS 88 -21.037 -4.065 -6.025 754 2HG LYS 88 1HG LYS 88 -21.429 -2.765 -4.899 755 1HD LYS 88 2HD LYS 88 -22.886 -1.747 -6.362 756 2HD LYS 88 1HD LYS 88 -21.994 -2.282 -7.787 757 1HE LYS 88 2HE LYS 88 -22.915 -4.491 -7.656 758 2HE LYS 88 1HE LYS 88 -23.557 -4.197 -6.028 759 1HZ LYS 88 1HZ LYS 88 -24.320 -2.298 -8.102 760 2HZ LYS 88 2HZ LYS 88 -25.230 -2.914 -6.806 761 3HZ LYS 88 3HZ LYS 88 -25.014 -3.842 -8.213 762 H ILE 89 H ILE 89 -16.559 -3.338 -4.835 763 HA ILE 89 HA ILE 89 -17.446 -4.924 -2.623 764 HB ILE 89 HB ILE 89 -15.164 -2.979 -3.058 765 1HG1 ILE 89 2HG1 ILE 89 -15.502 -5.985 -3.187 766 2HG1 ILE 89 1HG1 ILE 89 -14.973 -4.898 -4.470 767 1HG2 ILE 89 1HG2 ILE 89 -14.130 -4.026 -1.053 768 2HG2 ILE 89 2HG2 ILE 89 -15.630 -4.907 -0.760 769 3HG2 ILE 89 3HG2 ILE 89 -15.604 -3.146 -0.649 770 1HD1 ILE 89 1HD1 ILE 89 -13.458 -5.712 -1.985 771 2HD1 ILE 89 2HD1 ILE 89 -12.983 -4.324 -2.963 772 3HD1 ILE 89 3HD1 ILE 89 -12.984 -5.940 -3.669 773 H GLU 90 H GLU 90 -18.914 -4.297 -1.101 774 HA GLU 90 HA GLU 90 -19.661 -1.511 -0.701 775 1HB GLU 90 2HB GLU 90 -21.217 -2.516 0.912 776 2HB GLU 90 1HB GLU 90 -21.187 -3.475 -0.568 777 1HG GLU 90 2HG GLU 90 -20.707 -5.264 0.716 778 2HG GLU 90 1HG GLU 90 -19.124 -4.537 0.998 779 H ALA 91 H ALA 91 -17.240 -3.560 0.635 780 HA ALA 91 HA ALA 91 -17.049 -2.698 3.316 781 1HB ALA 91 1HB ALA 91 -14.520 -3.156 2.789 782 2HB ALA 91 2HB ALA 91 -15.123 -3.622 1.199 783 3HB ALA 91 3HB ALA 91 -15.680 -4.476 2.637 784 H LEU 92 H LEU 92 -15.925 -1.082 0.346 785 HA LEU 92 HA LEU 92 -14.876 1.169 2.021 786 1HB LEU 92 2HB LEU 92 -14.474 1.188 -0.913 787 2HB LEU 92 1HB LEU 92 -13.310 1.467 0.378 788 HG LEU 92 HG LEU 92 -14.326 -1.214 -0.593 789 1HD1 LEU 92 1HD1 LEU 92 -11.559 -1.182 -0.647 790 2HD1 LEU 92 2HD1 LEU 92 -11.977 0.456 -1.146 791 3HD1 LEU 92 3HD1 LEU 92 -12.606 -0.927 -2.041 792 1HD2 LEU 92 1HD2 LEU 92 -13.292 -0.401 1.971 793 2HD2 LEU 92 2HD2 LEU 92 -12.131 -1.472 1.187 794 3HD2 LEU 92 3HD2 LEU 92 -13.789 -2.009 1.447 795 H GLU 93 H GLU 93 -17.349 0.296 -0.282 796 HA GLU 93 HA GLU 93 -18.027 2.913 -1.218 797 1HB GLU 93 2HB GLU 93 -19.096 0.181 -1.199 798 2HB GLU 93 1HB GLU 93 -20.354 1.415 -1.231 799 1HG GLU 93 2HG GLU 93 -18.074 1.917 -3.041 800 2HG GLU 93 1HG GLU 93 -19.058 0.513 -3.451 801 H GLY 94 H GLY 94 -19.241 0.983 1.533 802 1HA GLY 94 2HA GLY 94 -20.895 3.277 2.416 803 2HA GLY 94 1HA GLY 94 -20.922 1.658 3.116 804 H LEU 95 H LEU 95 -17.746 2.657 2.623 805 HA LEU 95 HA LEU 95 -17.359 3.042 5.526 806 1HB LEU 95 2HB LEU 95 -15.978 1.824 3.472 807 2HB LEU 95 1HB LEU 95 -15.081 3.328 3.681 808 HG LEU 95 HG LEU 95 -15.049 2.829 6.175 809 1HD1 LEU 95 1HD1 LEU 95 -15.498 -0.040 5.529 810 2HD1 LEU 95 2HD1 LEU 95 -16.934 0.981 5.614 811 3HD1 LEU 95 3HD1 LEU 95 -15.861 0.850 7.008 812 1HD2 LEU 95 1HD2 LEU 95 -13.692 0.553 4.803 813 2HD2 LEU 95 2HD2 LEU 95 -13.035 1.735 5.936 814 3HD2 LEU 95 3HD2 LEU 95 -13.292 2.178 4.248 815 H ILE 96 H ILE 96 -18.656 5.144 3.703 816 HA ILE 96 HA ILE 96 -16.690 7.367 4.138 817 HB ILE 96 HB ILE 96 -19.064 7.048 2.271 818 1HG1 ILE 96 2HG1 ILE 96 -16.348 7.517 1.216 819 2HG1 ILE 96 1HG1 ILE 96 -16.548 5.973 2.044 820 1HG2 ILE 96 1HG2 ILE 96 -19.047 9.328 2.397 821 2HG2 ILE 96 2HG2 ILE 96 -17.646 9.177 1.338 822 3HG2 ILE 96 3HG2 ILE 96 -17.420 9.377 3.075 823 1HD1 ILE 96 1HD1 ILE 96 -17.714 6.907 -0.505 824 2HD1 ILE 96 2HD1 ILE 96 -18.841 6.069 0.561 825 3HD1 ILE 96 3HD1 ILE 96 -17.360 5.266 0.038 Start of MODEL 2 1 1H MET 1 1HT MET 1 -3.954 -19.503 4.894 2 2H MET 1 2HT MET 1 -5.120 -20.715 4.651 3 3H MET 1 3HT MET 1 -5.410 -19.462 5.762 4 HA MET 1 HA MET 1 -5.520 -19.394 2.818 5 1HB MET 1 2HB MET 1 -7.389 -19.623 4.697 6 2HB MET 1 1HB MET 1 -7.178 -17.873 4.810 7 1HG MET 1 2HG MET 1 -8.956 -18.426 3.201 8 2HG MET 1 1HG MET 1 -7.590 -17.666 2.385 9 1HE MET 1 1HE MET 1 -7.621 -19.799 -0.540 10 2HE MET 1 2HE MET 1 -6.578 -18.630 0.266 11 3HE MET 1 3HE MET 1 -8.316 -18.348 0.196 12 H LYS 2 H LYS 2 -3.536 -18.099 2.421 13 HA LYS 2 HA LYS 2 -3.018 -15.671 3.856 14 1HB LYS 2 2HB LYS 2 -1.841 -15.114 1.540 15 2HB LYS 2 1HB LYS 2 -1.170 -16.326 2.614 16 1HG LYS 2 2HG LYS 2 -3.232 -17.332 0.748 17 2HG LYS 2 1HG LYS 2 -1.749 -16.764 -0.021 18 1HD LYS 2 2HD LYS 2 -1.419 -18.471 2.392 19 2HD LYS 2 1HD LYS 2 -2.015 -19.272 0.936 20 1HE LYS 2 2HE LYS 2 -0.087 -18.539 -0.340 21 2HE LYS 2 1HE LYS 2 0.472 -17.525 1.005 22 1HZ LYS 2 1HZ LYS 2 0.482 -20.441 0.750 23 2HZ LYS 2 2HZ LYS 2 0.186 -19.791 2.291 24 3HZ LYS 2 3HZ LYS 2 1.626 -19.417 1.471 25 H THR 3 H THR 3 -5.322 -14.910 3.906 26 HA THR 3 HA THR 3 -6.039 -13.494 1.372 27 HB THR 3 HB THR 3 -8.380 -13.732 2.627 28 HG1 THR 3 1HG THR 3 -8.009 -14.812 4.399 29 1HG2 THR 3 1HG2 THR 3 -8.536 -16.043 1.501 30 2HG2 THR 3 2HG2 THR 3 -6.851 -15.792 1.044 31 3HG2 THR 3 3HG2 THR 3 -8.094 -14.676 0.479 32 H ALA 4 H ALA 4 -7.843 -12.950 4.274 33 HA ALA 4 HA ALA 4 -7.057 -10.110 4.259 34 1HB ALA 4 1HB ALA 4 -8.885 -10.488 6.263 35 2HB ALA 4 2HB ALA 4 -9.207 -11.892 5.240 36 3HB ALA 4 3HB ALA 4 -9.317 -10.263 4.566 37 H TYR 5 H TYR 5 -6.691 -12.969 6.249 38 HA TYR 5 HA TYR 5 -5.988 -12.301 8.768 39 1HB TYR 5 2HB TYR 5 -4.444 -14.153 8.646 40 2HB TYR 5 1HB TYR 5 -5.716 -14.480 7.463 41 HD1 TYR 5 1HD TYR 5 -5.226 -13.137 5.111 42 HD2 TYR 5 2HD TYR 5 -2.276 -14.581 7.874 43 HE1 TYR 5 1HE TYR 5 -3.561 -13.081 3.314 44 HE2 TYR 5 2HE TYR 5 -0.580 -14.560 6.061 45 HH TYR 5 HH TYR 5 -0.255 -14.358 3.861 46 H ASP 6 H ASP 6 -4.116 -11.282 5.915 47 HA ASP 6 HA ASP 6 -2.583 -9.383 7.549 48 1HB ASP 6 2HB ASP 6 -1.529 -11.999 6.506 49 2HB ASP 6 1HB ASP 6 -0.440 -10.613 6.595 50 H VAL 7 H VAL 7 -2.485 -11.133 4.413 51 HA VAL 7 HA VAL 7 -1.155 -9.307 2.800 52 HB VAL 7 HB VAL 7 -3.767 -10.695 2.079 53 1HG1 VAL 7 1HG1 VAL 7 -3.369 -9.952 0.003 54 2HG1 VAL 7 2HG1 VAL 7 -1.780 -10.713 0.029 55 3HG1 VAL 7 3HG1 VAL 7 -1.974 -9.055 0.601 56 1HG2 VAL 7 1HG2 VAL 7 -1.114 -11.885 1.453 57 2HG2 VAL 7 2HG2 VAL 7 -2.662 -12.672 1.770 58 3HG2 VAL 7 3HG2 VAL 7 -1.699 -12.031 3.104 59 H ILE 8 H ILE 8 -4.699 -9.352 2.955 60 HA ILE 8 HA ILE 8 -4.666 -6.382 2.610 61 HB ILE 8 HB ILE 8 -6.795 -8.423 1.910 62 1HG1 ILE 8 2HG1 ILE 8 -4.463 -7.367 0.290 63 2HG1 ILE 8 1HG1 ILE 8 -4.833 -9.047 0.680 64 1HG2 ILE 8 1HG2 ILE 8 -7.875 -6.674 0.826 65 2HG2 ILE 8 2HG2 ILE 8 -6.359 -5.862 0.420 66 3HG2 ILE 8 3HG2 ILE 8 -7.031 -5.721 2.047 67 1HD1 ILE 8 1HD1 ILE 8 -7.052 -8.679 -0.553 68 2HD1 ILE 8 2HD1 ILE 8 -5.600 -8.759 -1.544 69 3HD1 ILE 8 3HD1 ILE 8 -6.329 -7.197 -1.178 70 H LEU 9 H LEU 9 -4.763 -5.830 4.862 71 HA LEU 9 HA LEU 9 -6.672 -7.109 6.665 72 1HB LEU 9 2HB LEU 9 -4.888 -4.662 6.812 73 2HB LEU 9 1HB LEU 9 -5.827 -5.265 8.178 74 HG LEU 9 HG LEU 9 -3.831 -6.949 6.640 75 1HD1 LEU 9 1HD1 LEU 9 -2.723 -6.588 9.092 76 2HD1 LEU 9 2HD1 LEU 9 -3.508 -5.024 8.875 77 3HD1 LEU 9 3HD1 LEU 9 -2.325 -5.588 7.695 78 1HD2 LEU 9 1HD2 LEU 9 -5.471 -8.305 7.759 79 2HD2 LEU 9 2HD2 LEU 9 -5.389 -7.310 9.213 80 3HD2 LEU 9 3HD2 LEU 9 -4.024 -8.332 8.765 81 H ALA 10 H ALA 10 -6.549 -3.638 6.783 82 HA ALA 10 HA ALA 10 -9.459 -3.554 6.096 83 1HB ALA 10 1HB ALA 10 -9.441 -2.608 8.159 84 2HB ALA 10 2HB ALA 10 -8.754 -1.191 7.367 85 3HB ALA 10 3HB ALA 10 -7.693 -2.381 8.121 86 HA PRO 11 HA PRO 11 -8.724 -0.852 2.720 87 1HB PRO 11 2HB PRO 11 -10.752 0.969 2.960 88 2HB PRO 11 1HB PRO 11 -11.018 -0.712 2.453 89 1HG PRO 11 2HG PRO 11 -11.460 0.556 5.105 90 2HG PRO 11 1HG PRO 11 -12.410 -0.684 4.272 91 1HD PRO 11 2HD PRO 11 -10.656 -1.211 6.308 92 2HD PRO 11 1HD PRO 11 -11.108 -2.388 5.056 93 H VAL 12 H VAL 12 -8.358 1.551 2.159 94 HA VAL 12 HA VAL 12 -7.096 2.939 4.502 95 HB VAL 12 HB VAL 12 -5.432 3.684 2.965 96 1HG1 VAL 12 1HG1 VAL 12 -4.449 1.666 2.428 97 2HG1 VAL 12 2HG1 VAL 12 -5.931 1.010 1.733 98 3HG1 VAL 12 3HG1 VAL 12 -5.731 1.074 3.485 99 1HG2 VAL 12 1HG2 VAL 12 -6.960 4.373 1.164 100 2HG2 VAL 12 2HG2 VAL 12 -7.277 2.683 0.773 101 3HG2 VAL 12 3HG2 VAL 12 -5.670 3.361 0.514 102 H LEU 13 H LEU 13 -7.544 5.155 4.770 103 HA LEU 13 HA LEU 13 -9.785 6.216 3.110 104 1HB LEU 13 2HB LEU 13 -8.667 6.792 5.860 105 2HB LEU 13 1HB LEU 13 -9.851 7.851 5.095 106 HG LEU 13 HG LEU 13 -11.090 6.299 6.448 107 1HD1 LEU 13 1HD1 LEU 13 -11.213 5.121 3.668 108 2HD1 LEU 13 2HD1 LEU 13 -11.819 6.740 4.017 109 3HD1 LEU 13 3HD1 LEU 13 -12.532 5.339 4.820 110 1HD2 LEU 13 1HD2 LEU 13 -8.950 4.611 6.054 111 2HD2 LEU 13 2HD2 LEU 13 -10.200 3.850 5.069 112 3HD2 LEU 13 3HD2 LEU 13 -10.481 4.132 6.787 113 H SER 14 H SER 14 -8.938 7.334 1.386 114 HA SER 14 HA SER 14 -7.359 9.741 1.902 115 1HB SER 14 2HB SER 14 -6.135 7.546 0.212 116 2HB SER 14 1HB SER 14 -5.362 9.023 0.779 117 HG SER 14 HG SER 14 -5.013 6.918 1.961 118 H GLU 15 H GLU 15 -7.860 11.220 0.299 119 HA GLU 15 HA GLU 15 -9.882 10.958 -1.560 120 1HB GLU 15 2HB GLU 15 -7.450 12.618 -1.234 121 2HB GLU 15 1HB GLU 15 -8.157 12.640 -2.850 122 1HG GLU 15 2HG GLU 15 -10.407 13.054 -1.682 123 2HG GLU 15 1HG GLU 15 -9.461 13.405 -0.236 124 H LYS 16 H LYS 16 -6.414 10.637 -2.449 125 HA LYS 16 HA LYS 16 -6.801 9.664 -5.072 126 1HB LYS 16 2HB LYS 16 -4.679 9.396 -2.952 127 2HB LYS 16 1HB LYS 16 -4.489 8.561 -4.494 128 1HG LYS 16 2HG LYS 16 -5.299 11.115 -5.236 129 2HG LYS 16 1HG LYS 16 -4.205 11.404 -3.882 130 1HD LYS 16 2HD LYS 16 -2.418 10.914 -5.157 131 2HD LYS 16 1HD LYS 16 -3.116 9.355 -5.599 132 1HE LYS 16 2HE LYS 16 -4.442 11.600 -6.949 133 2HE LYS 16 1HE LYS 16 -2.720 11.461 -7.355 134 1HZ LYS 16 1HZ LYS 16 -4.118 10.013 -8.745 135 2HZ LYS 16 2HZ LYS 16 -4.654 9.204 -7.351 136 3HZ LYS 16 3HZ LYS 16 -3.018 9.126 -7.804 137 H ALA 17 H ALA 17 -7.389 8.117 -2.042 138 HA ALA 17 HA ALA 17 -7.332 5.392 -3.233 139 1HB ALA 17 1HB ALA 17 -7.645 6.554 -0.455 140 2HB ALA 17 2HB ALA 17 -6.300 5.601 -1.083 141 3HB ALA 17 3HB ALA 17 -7.859 4.834 -0.781 142 H TYR 18 H TYR 18 -9.416 7.721 -3.620 143 HA TYR 18 HA TYR 18 -11.796 5.947 -3.283 144 1HB TYR 18 2HB TYR 18 -11.177 8.562 -2.040 145 2HB TYR 18 1HB TYR 18 -12.799 8.429 -2.724 146 HD1 TYR 18 1HD TYR 18 -11.017 7.979 0.217 147 HD2 TYR 18 2HD TYR 18 -13.850 5.935 -2.285 148 HE1 TYR 18 1HE TYR 18 -11.726 6.596 2.146 149 HE2 TYR 18 2HE TYR 18 -14.558 4.549 -0.349 150 HH TYR 18 HH TYR 18 -14.047 3.948 1.762 151 H ALA 19 H ALA 19 -10.384 8.845 -4.800 152 HA ALA 19 HA ALA 19 -12.458 9.292 -6.732 153 1HB ALA 19 1HB ALA 19 -9.520 9.796 -7.201 154 2HB ALA 19 2HB ALA 19 -10.386 10.700 -5.960 155 3HB ALA 19 3HB ALA 19 -10.894 10.809 -7.646 156 H GLY 20 H GLY 20 -9.609 7.217 -6.660 157 1HA GLY 20 2HA GLY 20 -10.213 6.165 -9.376 158 2HA GLY 20 1HA GLY 20 -8.754 5.816 -8.441 159 H PHE 21 H PHE 21 -10.124 5.361 -5.979 160 HA PHE 21 HA PHE 21 -10.753 2.557 -6.205 161 1HB PHE 21 2HB PHE 21 -9.938 3.113 -4.121 162 2HB PHE 21 1HB PHE 21 -10.588 4.743 -4.200 163 HD1 PHE 21 1HD PHE 21 -10.894 1.596 -2.647 164 HD2 PHE 21 2HD PHE 21 -13.249 4.893 -4.063 165 HE1 PHE 21 1HE PHE 21 -12.742 0.919 -1.146 166 HE2 PHE 21 2HE PHE 21 -15.102 4.215 -2.562 167 HZ PHE 21 HZ PHE 21 -14.851 2.228 -1.103 168 H ALA 22 H ALA 22 -12.534 5.474 -6.612 169 HA ALA 22 HA ALA 22 -15.144 4.575 -5.896 170 1HB ALA 22 1HB ALA 22 -13.844 6.827 -7.324 171 2HB ALA 22 2HB ALA 22 -14.998 6.863 -5.991 172 3HB ALA 22 3HB ALA 22 -15.563 6.587 -7.639 173 H GLU 23 H GLU 23 -13.135 3.978 -8.627 174 HA GLU 23 HA GLU 23 -15.358 3.374 -10.475 175 1HB GLU 23 2HB GLU 23 -12.628 4.106 -10.598 176 2HB GLU 23 1HB GLU 23 -12.723 2.482 -11.274 177 1HG GLU 23 2HG GLU 23 -13.183 3.771 -13.158 178 2HG GLU 23 1HG GLU 23 -14.811 3.458 -12.556 179 H GLY 24 H GLY 24 -14.546 1.785 -7.860 180 1HA GLY 24 2HA GLY 24 -15.265 -0.500 -7.475 181 2HA GLY 24 1HA GLY 24 -14.794 -0.862 -9.130 182 H LYS 25 H LYS 25 -12.431 1.094 -8.063 183 HA LYS 25 HA LYS 25 -10.526 -1.099 -7.664 184 1HB LYS 25 2HB LYS 25 -10.516 1.898 -7.942 185 2HB LYS 25 1HB LYS 25 -9.057 1.085 -7.384 186 1HG LYS 25 2HG LYS 25 -8.566 0.499 -9.499 187 2HG LYS 25 1HG LYS 25 -10.095 -0.369 -9.622 188 1HD LYS 25 2HD LYS 25 -11.224 1.498 -10.501 189 2HD LYS 25 1HD LYS 25 -10.002 2.627 -9.915 190 1HE LYS 25 2HE LYS 25 -8.750 0.709 -11.672 191 2HE LYS 25 1HE LYS 25 -10.133 1.462 -12.493 192 1HZ LYS 25 1HZ LYS 25 -8.266 2.906 -12.748 193 2HZ LYS 25 2HZ LYS 25 -7.912 2.846 -11.088 194 3HZ LYS 25 3HZ LYS 25 -9.317 3.630 -11.632 195 H TYR 26 H TYR 26 -9.696 -1.728 -5.641 196 HA TYR 26 HA TYR 26 -10.522 -0.060 -3.296 197 1HB TYR 26 2HB TYR 26 -10.470 -3.069 -3.623 198 2HB TYR 26 1HB TYR 26 -10.839 -2.234 -2.114 199 HD1 TYR 26 1HD TYR 26 -12.085 -3.218 -5.392 200 HD2 TYR 26 2HD TYR 26 -12.858 -0.758 -1.955 201 HE1 TYR 26 1HE TYR 26 -14.445 -2.950 -6.111 202 HE2 TYR 26 2HE TYR 26 -15.222 -0.493 -2.673 203 HH TYR 26 HH TYR 26 -16.300 -1.070 -5.667 204 H THR 27 H THR 27 -8.758 0.763 -2.367 205 HA THR 27 HA THR 27 -6.108 -0.429 -2.612 206 HB THR 27 HB THR 27 -6.953 1.901 -0.894 207 HG1 THR 27 1HG THR 27 -6.195 2.450 -3.471 208 1HG2 THR 27 1HG2 THR 27 -4.744 2.346 -0.816 209 2HG2 THR 27 2HG2 THR 27 -4.571 2.141 -2.559 210 3HG2 THR 27 3HG2 THR 27 -4.496 0.736 -1.495 211 H PHE 28 H PHE 28 -5.032 -1.487 -0.945 212 HA PHE 28 HA PHE 28 -6.493 -1.773 1.657 213 1HB PHE 28 2HB PHE 28 -5.162 -3.894 -0.052 214 2HB PHE 28 1HB PHE 28 -5.864 -4.174 1.537 215 HD1 PHE 28 1HD PHE 28 -8.298 -2.591 1.517 216 HD2 PHE 28 2HD PHE 28 -6.542 -4.951 -1.610 217 HE1 PHE 28 1HE PHE 28 -10.534 -2.879 0.487 218 HE2 PHE 28 2HE PHE 28 -8.786 -5.239 -2.646 219 HZ PHE 28 HZ PHE 28 -10.776 -4.203 -1.596 220 H TRP 29 H TRP 29 -5.032 -2.572 3.404 221 HA TRP 29 HA TRP 29 -2.288 -1.448 3.117 222 1HB TRP 29 2HB TRP 29 -4.222 -2.066 5.342 223 2HB TRP 29 1HB TRP 29 -2.498 -2.028 5.714 224 HD1 TRP 29 HD TRP 29 -5.320 0.167 5.780 225 HE1 TRP 29 1HE TRP 29 -4.639 2.646 5.582 226 HE3 TRP 29 3HE TRP 29 -0.524 -0.366 4.106 227 HZ2 TRP 29 2HZ TRP 29 -2.363 4.196 4.814 228 HZ3 TRP 29 3HZ TRP 29 0.877 1.628 3.650 229 HH2 TRP 29 HH TRP 29 -0.036 3.905 4.001 230 H VAL 30 H VAL 30 -0.718 -2.991 2.669 231 HA VAL 30 HA VAL 30 -1.231 -5.746 3.672 232 HB VAL 30 HB VAL 30 -2.007 -5.414 1.390 233 1HG1 VAL 30 1HG1 VAL 30 -0.269 -4.960 -0.387 234 2HG1 VAL 30 2HG1 VAL 30 0.838 -4.518 0.914 235 3HG1 VAL 30 3HG1 VAL 30 -0.635 -3.585 0.653 236 1HG2 VAL 30 1HG2 VAL 30 -0.582 -7.464 2.269 237 2HG2 VAL 30 2HG2 VAL 30 0.487 -6.937 0.970 238 3HG2 VAL 30 3HG2 VAL 30 -1.188 -7.373 0.619 239 H HIS 31 H HIS 31 0.671 -7.103 3.567 240 HA HIS 31 HA HIS 31 3.052 -5.742 4.597 241 1HB HIS 31 2HB HIS 31 1.773 -8.142 4.982 242 2HB HIS 31 1HB HIS 31 3.128 -8.627 3.966 243 HD1 HIS 31 1HD HIS 31 2.922 -6.051 6.780 244 HD2 HIS 31 2HD HIS 31 5.085 -9.456 5.727 245 HE1 HIS 31 1HE HIS 31 4.695 -6.354 8.564 246 HA PRO 32 HA PRO 32 5.308 -5.621 0.823 247 1HB PRO 32 2HB PRO 32 7.856 -5.855 1.788 248 2HB PRO 32 1HB PRO 32 6.891 -4.380 1.959 249 1HG PRO 32 2HG PRO 32 7.408 -6.531 3.949 250 2HG PRO 32 1HG PRO 32 7.344 -4.776 4.177 251 1HD PRO 32 2HD PRO 32 5.295 -6.429 4.838 252 2HD PRO 32 1HD PRO 32 5.054 -4.744 4.328 253 H LYS 33 H LYS 33 4.211 -7.951 0.709 254 HA LYS 33 HA LYS 33 6.136 -9.796 -0.347 255 1HB LYS 33 2HB LYS 33 5.737 -11.500 1.577 256 2HB LYS 33 1HB LYS 33 6.864 -10.178 1.877 257 1HG LYS 33 2HG LYS 33 5.605 -9.505 3.613 258 2HG LYS 33 1HG LYS 33 4.244 -9.245 2.531 259 1HD LYS 33 2HD LYS 33 3.676 -10.840 4.341 260 2HD LYS 33 1HD LYS 33 3.589 -11.601 2.752 261 1HE LYS 33 2HE LYS 33 4.839 -13.197 3.914 262 2HE LYS 33 1HE LYS 33 6.148 -12.175 3.288 263 1HZ LYS 33 1HZ LYS 33 6.234 -10.959 5.289 264 2HZ LYS 33 2HZ LYS 33 6.192 -12.591 5.757 265 3HZ LYS 33 3HZ LYS 33 4.790 -11.636 5.867 266 H ALA 34 H ALA 34 2.974 -9.310 1.165 267 HA ALA 34 HA ALA 34 1.488 -11.521 0.452 268 1HB ALA 34 1HB ALA 34 1.096 -8.702 0.931 269 2HB ALA 34 2HB ALA 34 -0.021 -10.033 1.236 270 3HB ALA 34 3HB ALA 34 -0.003 -9.239 -0.340 271 H THR 35 H THR 35 2.222 -12.538 -1.498 272 HA THR 35 HA THR 35 2.917 -11.567 -3.959 273 HB THR 35 HB THR 35 1.209 -13.622 -4.628 274 HG1 THR 35 1HG THR 35 1.448 -15.021 -2.753 275 1HG2 THR 35 1HG2 THR 35 3.769 -13.332 -4.805 276 2HG2 THR 35 2HG2 THR 35 3.148 -14.971 -4.602 277 3HG2 THR 35 3HG2 THR 35 3.831 -14.109 -3.222 278 H LYS 36 H LYS 36 1.959 -10.391 -5.591 279 HA LYS 36 HA LYS 36 -0.351 -8.864 -5.319 280 1HB LYS 36 2HB LYS 36 1.434 -9.781 -7.439 281 2HB LYS 36 1HB LYS 36 -0.203 -9.507 -8.036 282 1HG LYS 36 2HG LYS 36 0.264 -7.337 -6.349 283 2HG LYS 36 1HG LYS 36 1.801 -7.564 -7.185 284 1HD LYS 36 2HD LYS 36 0.843 -7.242 -9.304 285 2HD LYS 36 1HD LYS 36 -0.784 -7.602 -8.726 286 1HE LYS 36 2HE LYS 36 -1.041 -5.483 -7.734 287 2HE LYS 36 1HE LYS 36 0.711 -5.206 -7.656 288 1HZ LYS 36 1HZ LYS 36 -0.072 -3.982 -9.508 289 2HZ LYS 36 2HZ LYS 36 -1.005 -5.284 -10.075 290 3HZ LYS 36 3HZ LYS 36 0.690 -5.356 -10.145 291 H THR 37 H THR 37 -0.124 -12.093 -6.868 292 HA THR 37 HA THR 37 -2.896 -12.358 -7.477 293 HB THR 37 HB THR 37 -0.619 -14.215 -6.983 294 HG1 THR 37 1HG THR 37 -1.099 -14.596 -9.262 295 1HG2 THR 37 1HG2 THR 37 -2.112 -16.038 -7.889 296 2HG2 THR 37 2HG2 THR 37 -3.472 -14.946 -7.634 297 3HG2 THR 37 3HG2 THR 37 -2.517 -15.501 -6.259 298 H GLU 38 H GLU 38 -1.010 -13.202 -4.583 299 HA GLU 38 HA GLU 38 -3.000 -14.580 -3.109 300 1HB GLU 38 2HB GLU 38 -0.496 -13.099 -2.653 301 2HB GLU 38 1HB GLU 38 -1.579 -13.082 -1.261 302 1HG GLU 38 2HG GLU 38 -1.809 -15.609 -1.588 303 2HG GLU 38 1HG GLU 38 -0.441 -15.486 -2.695 304 H ILE 39 H ILE 39 -2.356 -11.099 -3.450 305 HA ILE 39 HA ILE 39 -4.270 -10.101 -1.603 306 HB ILE 39 HB ILE 39 -3.041 -9.127 -4.189 307 1HG1 ILE 39 2HG1 ILE 39 -2.703 -7.992 -1.421 308 2HG1 ILE 39 1HG1 ILE 39 -1.811 -9.432 -1.911 309 1HG2 ILE 39 1HG2 ILE 39 -4.473 -7.241 -2.355 310 2HG2 ILE 39 2HG2 ILE 39 -5.414 -8.129 -3.554 311 3HG2 ILE 39 3HG2 ILE 39 -4.106 -7.069 -4.069 312 1HD1 ILE 39 1HD1 ILE 39 -1.096 -6.769 -2.427 313 2HD1 ILE 39 2HD1 ILE 39 -1.691 -7.388 -3.969 314 3HD1 ILE 39 3HD1 ILE 39 -0.370 -8.212 -3.138 315 H LYS 40 H LYS 40 -4.599 -11.354 -4.875 316 HA LYS 40 HA LYS 40 -7.218 -10.434 -5.511 317 1HB LYS 40 2HB LYS 40 -5.522 -11.599 -6.983 318 2HB LYS 40 1HB LYS 40 -5.910 -13.100 -6.145 319 1HG LYS 40 2HG LYS 40 -8.396 -12.401 -6.774 320 2HG LYS 40 1HG LYS 40 -7.570 -11.532 -8.068 321 1HD LYS 40 2HD LYS 40 -6.290 -13.973 -8.093 322 2HD LYS 40 1HD LYS 40 -7.951 -14.424 -7.706 323 1HE LYS 40 2HE LYS 40 -8.614 -14.024 -9.834 324 2HE LYS 40 1HE LYS 40 -7.889 -12.405 -9.804 325 1HZ LYS 40 1HZ LYS 40 -6.711 -13.725 -11.401 326 2HZ LYS 40 2HZ LYS 40 -6.480 -14.978 -10.276 327 3HZ LYS 40 3HZ LYS 40 -5.696 -13.485 -10.064 328 H ASN 41 H ASN 41 -6.141 -13.421 -3.907 329 HA ASN 41 HA ASN 41 -8.806 -14.426 -3.401 330 1HB ASN 41 2HB ASN 41 -5.992 -15.037 -2.532 331 2HB ASN 41 1HB ASN 41 -7.347 -15.876 -1.776 332 1HD2 ASN 41 1HD2 ASN 41 -6.109 -15.073 -5.072 333 2HD2 ASN 41 2HD2 ASN 41 -6.630 -16.525 -5.779 334 H ALA 42 H ALA 42 -6.509 -12.470 -1.493 335 HA ALA 42 HA ALA 42 -7.759 -12.734 1.031 336 1HB ALA 42 1HB ALA 42 -6.650 -10.497 1.459 337 2HB ALA 42 2HB ALA 42 -6.244 -10.454 -0.259 338 3HB ALA 42 3HB ALA 42 -5.570 -11.720 0.775 339 H VAL 43 H VAL 43 -8.387 -10.221 -1.458 340 HA VAL 43 HA VAL 43 -10.562 -9.039 0.030 341 HB VAL 43 HB VAL 43 -11.125 -8.148 -2.328 342 1HG1 VAL 43 1HG1 VAL 43 -8.618 -7.078 -2.296 343 2HG1 VAL 43 2HG1 VAL 43 -8.730 -7.720 -0.657 344 3HG1 VAL 43 3HG1 VAL 43 -9.927 -6.561 -1.232 345 1HG2 VAL 43 1HG2 VAL 43 -9.726 -8.656 -4.120 346 2HG2 VAL 43 2HG2 VAL 43 -9.836 -10.220 -3.315 347 3HG2 VAL 43 3HG2 VAL 43 -8.417 -9.204 -3.074 348 H GLU 44 H GLU 44 -10.340 -11.690 -2.297 349 HA GLU 44 HA GLU 44 -13.184 -12.008 -2.727 350 1HB GLU 44 2HB GLU 44 -10.644 -13.292 -3.381 351 2HB GLU 44 1HB GLU 44 -11.899 -14.484 -3.041 352 1HG GLU 44 2HG GLU 44 -12.423 -12.138 -4.864 353 2HG GLU 44 1HG GLU 44 -11.702 -13.628 -5.474 354 H THR 45 H THR 45 -10.817 -13.524 -0.544 355 HA THR 45 HA THR 45 -12.820 -15.130 0.846 356 HB THR 45 HB THR 45 -9.944 -14.723 0.721 357 HG1 THR 45 1HG THR 45 -10.207 -17.022 1.452 358 1HG2 THR 45 1HG2 THR 45 -10.166 -14.005 3.033 359 2HG2 THR 45 2HG2 THR 45 -9.514 -15.643 3.015 360 3HG2 THR 45 3HG2 THR 45 -11.219 -15.375 3.382 361 H ALA 46 H ALA 46 -11.648 -11.907 1.006 362 HA ALA 46 HA ALA 46 -12.598 -11.562 3.811 363 1HB ALA 46 1HB ALA 46 -11.242 -9.570 3.768 364 2HB ALA 46 2HB ALA 46 -11.110 -9.633 2.010 365 3HB ALA 46 3HB ALA 46 -10.297 -10.846 2.999 366 H PHE 47 H PHE 47 -12.632 -9.497 0.879 367 HA PHE 47 HA PHE 47 -15.059 -8.130 1.671 368 1HB PHE 47 2HB PHE 47 -13.403 -8.331 -0.854 369 2HB PHE 47 1HB PHE 47 -14.821 -7.289 -0.741 370 HD1 PHE 47 1HD PHE 47 -14.886 -5.803 1.498 371 HD2 PHE 47 2HD PHE 47 -11.340 -7.391 -0.332 372 HE1 PHE 47 1HE PHE 47 -13.523 -4.072 2.635 373 HE2 PHE 47 2HE PHE 47 -9.976 -5.661 0.805 374 HZ PHE 47 HZ PHE 47 -11.068 -4.000 2.288 375 H LYS 48 H LYS 48 -14.394 -11.041 -0.120 376 HA LYS 48 HA LYS 48 -15.863 -12.642 -1.038 377 1HB LYS 48 2HB LYS 48 -17.231 -11.216 1.031 378 2HB LYS 48 1HB LYS 48 -18.375 -11.492 -0.283 379 1HG LYS 48 2HG LYS 48 -16.713 -13.837 0.249 380 2HG LYS 48 1HG LYS 48 -17.656 -13.349 1.657 381 1HD LYS 48 2HD LYS 48 -19.103 -13.322 -0.932 382 2HD LYS 48 1HD LYS 48 -18.650 -14.914 -0.322 383 1HE LYS 48 2HE LYS 48 -20.526 -14.774 0.964 384 2HE LYS 48 1HE LYS 48 -19.621 -13.600 1.942 385 1HZ LYS 48 1HZ LYS 48 -21.321 -12.266 1.281 386 2HZ LYS 48 2HZ LYS 48 -21.609 -13.133 -0.151 387 3HZ LYS 48 3HZ LYS 48 -20.307 -12.045 -0.060 388 H VAL 49 H VAL 49 -14.995 -10.606 -2.725 389 HA VAL 49 HA VAL 49 -17.419 -10.048 -4.382 390 HB VAL 49 HB VAL 49 -15.865 -8.250 -3.079 391 1HG1 VAL 49 1HG1 VAL 49 -14.745 -7.922 -5.817 392 2HG1 VAL 49 2HG1 VAL 49 -13.991 -9.136 -4.783 393 3HG1 VAL 49 3HG1 VAL 49 -14.065 -7.454 -4.259 394 1HG2 VAL 49 1HG2 VAL 49 -17.597 -8.236 -5.439 395 2HG2 VAL 49 2HG2 VAL 49 -16.536 -6.833 -5.318 396 3HG2 VAL 49 3HG2 VAL 49 -17.640 -7.221 -4.000 397 H LYS 50 H LYS 50 -15.930 -9.116 -6.620 398 HA LYS 50 HA LYS 50 -14.540 -11.635 -7.479 399 1HB LYS 50 2HB LYS 50 -16.851 -10.736 -8.447 400 2HB LYS 50 1HB LYS 50 -15.787 -9.692 -9.394 401 1HG LYS 50 2HG LYS 50 -15.134 -12.609 -9.229 402 2HG LYS 50 1HG LYS 50 -16.457 -12.104 -10.284 403 1HD LYS 50 2HD LYS 50 -14.635 -10.270 -11.011 404 2HD LYS 50 1HD LYS 50 -13.536 -11.554 -10.506 405 1HE LYS 50 2HE LYS 50 -15.844 -12.331 -12.247 406 2HE LYS 50 1HE LYS 50 -14.482 -11.479 -13.002 407 1HZ LYS 50 1HZ LYS 50 -13.931 -13.639 -11.089 408 2HZ LYS 50 2HZ LYS 50 -13.002 -13.104 -12.408 409 3HZ LYS 50 3HZ LYS 50 -14.387 -14.054 -12.669 410 H VAL 51 H VAL 51 -12.361 -11.181 -7.448 411 HA VAL 51 HA VAL 51 -11.331 -8.480 -7.864 412 HB VAL 51 HB VAL 51 -10.024 -11.211 -7.668 413 1HG1 VAL 51 1HG1 VAL 51 -7.979 -9.912 -7.119 414 2HG1 VAL 51 2HG1 VAL 51 -8.855 -8.418 -7.448 415 3HG1 VAL 51 3HG1 VAL 51 -8.551 -9.567 -8.750 416 1HG2 VAL 51 1HG2 VAL 51 -9.479 -10.231 -5.329 417 2HG2 VAL 51 2HG2 VAL 51 -11.125 -10.801 -5.612 418 3HG2 VAL 51 3HG2 VAL 51 -10.768 -9.074 -5.667 419 H VAL 52 H VAL 52 -11.067 -7.611 -9.874 420 HA VAL 52 HA VAL 52 -10.624 -9.476 -12.176 421 HB VAL 52 HB VAL 52 -12.713 -8.081 -12.098 422 1HG1 VAL 52 1HG1 VAL 52 -12.125 -5.595 -12.801 423 2HG1 VAL 52 2HG1 VAL 52 -10.649 -5.925 -11.892 424 3HG1 VAL 52 3HG1 VAL 52 -12.217 -6.057 -11.109 425 1HG2 VAL 52 1HG2 VAL 52 -10.998 -8.559 -14.213 426 2HG2 VAL 52 2HG2 VAL 52 -11.319 -6.828 -14.334 427 3HG2 VAL 52 3HG2 VAL 52 -12.662 -7.979 -14.348 428 H LYS 53 H LYS 53 -8.917 -7.556 -10.138 429 HA LYS 53 HA LYS 53 -6.531 -7.459 -11.627 430 1HB LYS 53 2HB LYS 53 -8.559 -5.513 -12.401 431 2HB LYS 53 1HB LYS 53 -7.065 -4.720 -11.900 432 1HG LYS 53 2HG LYS 53 -6.161 -6.842 -13.436 433 2HG LYS 53 1HG LYS 53 -7.610 -6.315 -14.295 434 1HD LYS 53 2HD LYS 53 -6.774 -4.151 -14.644 435 2HD LYS 53 1HD LYS 53 -5.601 -4.290 -13.335 436 1HE LYS 53 2HE LYS 53 -4.471 -4.450 -15.534 437 2HE LYS 53 1HE LYS 53 -4.355 -5.997 -14.672 438 1HZ LYS 53 1HZ LYS 53 -5.149 -6.210 -17.005 439 2HZ LYS 53 2HZ LYS 53 -6.531 -5.322 -16.577 440 3HZ LYS 53 3HZ LYS 53 -6.230 -6.831 -15.857 441 H VAL 54 H VAL 54 -5.120 -7.290 -9.927 442 HA VAL 54 HA VAL 54 -5.829 -5.415 -7.697 443 HB VAL 54 HB VAL 54 -4.829 -8.178 -7.870 444 1HG1 VAL 54 1HG1 VAL 54 -3.487 -6.220 -5.972 445 2HG1 VAL 54 2HG1 VAL 54 -2.692 -7.170 -7.231 446 3HG1 VAL 54 3HG1 VAL 54 -3.393 -7.977 -5.828 447 1HG2 VAL 54 1HG2 VAL 54 -6.752 -6.710 -6.489 448 2HG2 VAL 54 2HG2 VAL 54 -5.564 -7.125 -5.253 449 3HG2 VAL 54 3HG2 VAL 54 -6.335 -8.399 -6.203 450 H ASN 55 H ASN 55 -4.445 -3.732 -7.350 451 HA ASN 55 HA ASN 55 -1.697 -3.905 -8.511 452 1HB ASN 55 2HB ASN 55 -3.671 -2.475 -9.648 453 2HB ASN 55 1HB ASN 55 -3.156 -1.298 -8.439 454 1HD2 ASN 55 1HD2 ASN 55 -2.452 -0.080 -10.511 455 2HD2 ASN 55 2HD2 ASN 55 -0.906 -0.423 -11.124 456 H THR 56 H THR 56 -0.331 -3.809 -6.790 457 HA THR 56 HA THR 56 -1.128 -2.057 -4.504 458 HB THR 56 HB THR 56 -0.833 -3.917 -3.246 459 HG1 THR 56 1HG THR 56 1.203 -3.294 -2.814 460 1HG2 THR 56 1HG2 THR 56 -1.375 -5.319 -5.145 461 2HG2 THR 56 2HG2 THR 56 -0.056 -6.069 -4.248 462 3HG2 THR 56 3HG2 THR 56 0.280 -5.211 -5.749 463 H LEU 57 H LEU 57 0.720 -1.017 -3.372 464 HA LEU 57 HA LEU 57 3.267 -0.822 -4.856 465 1HB LEU 57 2HB LEU 57 2.826 1.755 -4.929 466 2HB LEU 57 1HB LEU 57 2.044 0.738 -6.139 467 HG LEU 57 HG LEU 57 0.017 0.637 -4.664 468 1HD1 LEU 57 1HD1 LEU 57 0.033 2.634 -2.951 469 2HD1 LEU 57 2HD1 LEU 57 1.782 2.406 -2.998 470 3HD1 LEU 57 3HD1 LEU 57 0.733 1.082 -2.491 471 1HD2 LEU 57 1HD2 LEU 57 0.742 3.519 -5.186 472 2HD2 LEU 57 2HD2 LEU 57 -0.822 2.726 -5.374 473 3HD2 LEU 57 3HD2 LEU 57 0.478 2.395 -6.518 474 H HIS 58 H HIS 58 4.735 0.822 -3.673 475 HA HIS 58 HA HIS 58 4.577 0.307 -0.792 476 1HB HIS 58 2HB HIS 58 6.518 0.956 -2.788 477 2HB HIS 58 1HB HIS 58 6.611 2.186 -1.526 478 HD1 HIS 58 1HD HIS 58 8.167 -0.838 -2.290 479 HD2 HIS 58 2HD HIS 58 6.354 0.569 1.191 480 HE1 HIS 58 1HE HIS 58 9.092 -2.230 -0.388 481 H VAL 59 H VAL 59 3.725 1.682 0.691 482 HA VAL 59 HA VAL 59 3.147 4.501 -0.157 483 HB VAL 59 HB VAL 59 1.379 3.995 1.851 484 1HG1 VAL 59 1HG1 VAL 59 1.327 4.373 -0.932 485 2HG1 VAL 59 2HG1 VAL 59 -0.034 4.504 0.181 486 3HG1 VAL 59 3HG1 VAL 59 0.297 2.975 -0.630 487 1HG2 VAL 59 1HG2 VAL 59 1.466 1.395 0.313 488 2HG2 VAL 59 2HG2 VAL 59 0.523 1.778 1.752 489 3HG2 VAL 59 3HG2 VAL 59 2.271 1.582 1.870 490 H ARG 60 H ARG 60 4.208 6.010 1.054 491 HA ARG 60 HA ARG 60 5.255 5.177 3.739 492 1HB ARG 60 2HB ARG 60 6.272 7.390 1.943 493 2HB ARG 60 1HB ARG 60 7.121 6.599 3.270 494 1HG ARG 60 2HG ARG 60 6.334 5.345 0.625 495 2HG ARG 60 1HG ARG 60 7.970 5.711 1.173 496 1HD ARG 60 2HD ARG 60 7.684 4.115 3.060 497 2HD ARG 60 1HD ARG 60 6.069 3.710 2.447 498 HE ARG 60 HE ARG 60 7.131 2.403 0.801 499 1HH1 ARG 60 1HH1 ARG 60 9.680 2.181 2.224 500 2HH1 ARG 60 2HH1 ARG 60 10.815 2.894 1.128 501 1HH2 ARG 60 1HH2 ARG 60 8.390 4.506 -0.755 502 2HH2 ARG 60 2HH2 ARG 60 10.085 4.210 -0.558 503 H GLY 61 H GLY 61 4.495 6.330 5.478 504 1HA GLY 61 2HA GLY 61 2.902 8.792 4.906 505 2HA GLY 61 1HA GLY 61 2.670 7.756 6.316 506 H LYS 62 H LYS 62 3.488 10.718 5.887 507 HA LYS 62 HA LYS 62 6.168 10.888 7.049 508 1HB LYS 62 2HB LYS 62 4.000 12.663 6.072 509 2HB LYS 62 1HB LYS 62 5.052 13.358 7.307 510 1HG LYS 62 2HG LYS 62 6.889 12.163 5.681 511 2HG LYS 62 1HG LYS 62 5.660 12.633 4.507 512 1HD LYS 62 2HD LYS 62 7.025 14.452 6.511 513 2HD LYS 62 1HD LYS 62 7.247 14.464 4.761 514 1HE LYS 62 2HE LYS 62 4.531 14.718 4.915 515 2HE LYS 62 1HE LYS 62 5.035 15.588 6.377 516 1HZ LYS 62 1HZ LYS 62 6.759 16.685 4.956 517 2HZ LYS 62 2HZ LYS 62 5.159 17.129 4.596 518 3HZ LYS 62 3HZ LYS 62 5.983 16.026 3.600 519 H LYS 63 H LYS 63 3.196 10.066 8.344 520 HA LYS 63 HA LYS 63 3.901 11.224 11.022 521 1HB LYS 63 2HB LYS 63 1.308 10.608 9.604 522 2HB LYS 63 1HB LYS 63 1.359 10.795 11.357 523 1HG LYS 63 2HG LYS 63 2.203 13.041 11.176 524 2HG LYS 63 1HG LYS 63 2.460 12.862 9.439 525 1HD LYS 63 2HD LYS 63 0.356 13.545 9.042 526 2HD LYS 63 1HD LYS 63 -0.270 12.214 10.017 527 1HE LYS 63 2HE LYS 63 -0.624 13.556 11.840 528 2HE LYS 63 1HE LYS 63 0.854 14.495 11.554 529 1HZ LYS 63 1HZ LYS 63 -1.024 15.871 11.038 530 2HZ LYS 63 2HZ LYS 63 -1.694 14.676 10.035 531 3HZ LYS 63 3HZ LYS 63 -0.256 15.461 9.583 532 H LYS 64 H LYS 64 2.802 9.745 12.811 533 HA LYS 64 HA LYS 64 2.950 7.669 13.938 534 1HB LYS 64 2HB LYS 64 1.171 7.531 11.953 535 2HB LYS 64 1HB LYS 64 2.321 6.348 11.328 536 1HG LYS 64 2HG LYS 64 1.553 4.810 12.776 537 2HG LYS 64 1HG LYS 64 1.959 5.866 14.129 538 1HD LYS 64 2HD LYS 64 -0.229 6.221 14.502 539 2HD LYS 64 1HD LYS 64 -0.383 6.921 12.889 540 1HE LYS 64 2HE LYS 64 -1.809 5.154 12.544 541 2HE LYS 64 1HE LYS 64 -0.307 4.240 12.298 542 1HZ LYS 64 1HZ LYS 64 -0.331 4.165 14.886 543 2HZ LYS 64 2HZ LYS 64 -1.261 3.055 13.999 544 3HZ LYS 64 3HZ LYS 64 -1.997 4.417 14.698 545 H ARG 65 H ARG 65 5.359 8.695 12.347 546 HA ARG 65 HA ARG 65 6.700 6.094 11.731 547 1HB ARG 65 2HB ARG 65 8.252 7.497 10.480 548 2HB ARG 65 1HB ARG 65 6.606 7.965 10.053 549 1HG ARG 65 2HG ARG 65 6.713 9.822 11.679 550 2HG ARG 65 1HG ARG 65 8.365 9.362 12.091 551 1HD ARG 65 2HD ARG 65 9.156 9.894 9.878 552 2HD ARG 65 1HD ARG 65 7.499 10.093 9.273 553 HE ARG 65 HE ARG 65 7.852 11.813 11.522 554 1HH1 ARG 65 1HH1 ARG 65 10.429 12.025 9.780 555 2HH1 ARG 65 2HH1 ARG 65 10.033 13.420 8.833 556 1HH2 ARG 65 1HH2 ARG 65 6.664 13.347 9.647 557 2HH2 ARG 65 2HH2 ARG 65 7.902 14.169 8.757 558 H LEU 66 H LEU 66 6.833 8.919 13.839 559 HA LEU 66 HA LEU 66 9.346 8.909 14.944 560 1HB LEU 66 2HB LEU 66 6.952 9.998 15.547 561 2HB LEU 66 1HB LEU 66 7.064 8.821 16.857 562 HG LEU 66 HG LEU 66 8.049 10.976 17.536 563 1HD1 LEU 66 1HD1 LEU 66 10.371 9.116 17.084 564 2HD1 LEU 66 2HD1 LEU 66 9.039 8.628 18.134 565 3HD1 LEU 66 3HD1 LEU 66 9.977 10.072 18.513 566 1HD2 LEU 66 1HD2 LEU 66 9.710 12.070 16.329 567 2HD2 LEU 66 2HD2 LEU 66 8.771 11.361 15.014 568 3HD2 LEU 66 3HD2 LEU 66 10.264 10.588 15.550 569 H GLY 67 H GLY 67 10.439 6.910 15.096 570 1HA GLY 67 2HA GLY 67 10.042 5.322 17.398 571 2HA GLY 67 1HA GLY 67 9.344 4.484 16.016 572 H ARG 68 H ARG 68 11.659 3.604 17.533 573 HA ARG 68 HA ARG 68 13.998 4.156 15.813 574 1HB ARG 68 2HB ARG 68 13.373 2.865 18.425 575 2HB ARG 68 1HB ARG 68 14.802 2.275 17.574 576 1HG ARG 68 2HG ARG 68 15.433 4.765 17.299 577 2HG ARG 68 1HG ARG 68 14.224 5.073 18.547 578 1HD ARG 68 2HD ARG 68 15.743 2.912 19.528 579 2HD ARG 68 1HD ARG 68 16.923 4.059 18.862 580 HE ARG 68 HE ARG 68 15.813 5.830 20.243 581 1HH1 ARG 68 1HH1 ARG 68 13.892 3.168 20.667 582 2HH1 ARG 68 2HH1 ARG 68 13.956 3.150 22.398 583 1HH2 ARG 68 1HH2 ARG 68 16.466 5.534 22.594 584 2HH2 ARG 68 2HH2 ARG 68 15.414 4.488 23.489 585 H TYR 69 H TYR 69 15.312 1.976 15.359 586 HA TYR 69 HA TYR 69 15.447 0.104 13.960 587 1HB TYR 69 2HB TYR 69 14.634 -1.631 15.175 588 2HB TYR 69 1HB TYR 69 14.144 -0.377 16.306 589 HD1 TYR 69 1HD TYR 69 12.937 -2.257 13.298 590 HD2 TYR 69 2HD TYR 69 11.879 -0.120 16.871 591 HE1 TYR 69 1HE TYR 69 10.562 -2.891 12.974 592 HE2 TYR 69 2HE TYR 69 9.503 -0.753 16.547 593 HH TYR 69 HH TYR 69 8.016 -1.446 14.751 594 H LEU 70 H LEU 70 15.014 0.350 11.817 595 HA LEU 70 HA LEU 70 13.785 0.792 9.835 596 1HB LEU 70 2HB LEU 70 13.035 -1.512 11.199 597 2HB LEU 70 1HB LEU 70 11.501 -0.750 10.786 598 HG LEU 70 HG LEU 70 12.229 -2.259 8.978 599 1HD1 LEU 70 1HD1 LEU 70 10.988 -0.562 8.015 600 2HD1 LEU 70 2HD1 LEU 70 12.527 -0.298 7.194 601 3HD1 LEU 70 3HD1 LEU 70 12.083 0.701 8.578 602 1HD2 LEU 70 1HD2 LEU 70 14.479 -0.536 8.159 603 2HD2 LEU 70 2HD2 LEU 70 14.355 -2.295 8.165 604 3HD2 LEU 70 3HD2 LEU 70 14.765 -1.434 9.649 605 H GLY 71 H GLY 71 13.417 2.771 11.822 606 1HA GLY 71 2HA GLY 71 10.511 3.402 11.723 607 2HA GLY 71 1HA GLY 71 11.689 4.200 12.768 608 H LYS 72 H LYS 72 10.298 6.023 11.569 609 HA LYS 72 HA LYS 72 10.387 7.853 10.076 610 1HB LYS 72 2HB LYS 72 13.210 6.854 9.607 611 2HB LYS 72 1HB LYS 72 12.630 8.518 9.517 612 1HG LYS 72 2HG LYS 72 12.225 8.576 11.901 613 2HG LYS 72 1HG LYS 72 12.578 6.853 12.049 614 1HD LYS 72 2HD LYS 72 14.656 7.630 12.620 615 2HD LYS 72 1HD LYS 72 14.865 7.681 10.869 616 1HE LYS 72 2HE LYS 72 13.850 10.086 11.052 617 2HE LYS 72 1HE LYS 72 14.303 9.957 12.764 618 1HZ LYS 72 1HZ LYS 72 16.531 9.499 12.196 619 2HZ LYS 72 2HZ LYS 72 16.087 10.829 11.237 620 3HZ LYS 72 3HZ LYS 72 16.160 9.273 10.557 621 H ARG 73 H ARG 73 9.164 7.529 8.245 622 HA ARG 73 HA ARG 73 8.508 6.649 6.141 623 1HB ARG 73 2HB ARG 73 10.452 8.270 5.799 624 2HB ARG 73 1HB ARG 73 11.493 6.851 5.670 625 1HG ARG 73 2HG ARG 73 9.539 6.124 3.954 626 2HG ARG 73 1HG ARG 73 9.450 7.876 3.774 627 1HD ARG 73 2HD ARG 73 12.217 7.165 3.794 628 2HD ARG 73 1HD ARG 73 11.388 6.098 2.643 629 HE ARG 73 HE ARG 73 10.824 8.004 1.339 630 1HH1 ARG 73 1HH1 ARG 73 13.411 9.186 2.216 631 2HH1 ARG 73 2HH1 ARG 73 12.925 10.724 2.847 632 1HH2 ARG 73 1HH2 ARG 73 9.580 9.854 3.117 633 2HH2 ARG 73 2HH2 ARG 73 10.756 11.102 3.356 634 HA PRO 74 HA PRO 74 10.003 2.390 7.126 635 1HB PRO 74 2HB PRO 74 7.535 1.298 7.495 636 2HB PRO 74 1HB PRO 74 8.430 2.106 8.796 637 1HG PRO 74 2HG PRO 74 6.156 3.090 7.173 638 2HG PRO 74 1HG PRO 74 6.560 3.411 8.865 639 1HD PRO 74 2HD PRO 74 7.023 5.149 6.761 640 2HD PRO 74 1HD PRO 74 7.850 5.206 8.332 641 H ASP 75 H ASP 75 8.518 0.307 6.110 642 HA ASP 75 HA ASP 75 8.253 1.003 3.216 643 1HB ASP 75 2HB ASP 75 9.606 -1.112 4.757 644 2HB ASP 75 1HB ASP 75 8.660 -1.724 3.400 645 H ARG 76 H ARG 76 6.003 1.454 3.459 646 HA ARG 76 HA ARG 76 4.245 -0.782 4.356 647 1HB ARG 76 2HB ARG 76 4.228 2.122 4.388 648 2HB ARG 76 1HB ARG 76 2.743 1.496 3.672 649 1HG ARG 76 2HG ARG 76 2.602 1.755 6.160 650 2HG ARG 76 1HG ARG 76 2.334 0.097 5.618 651 1HD ARG 76 2HD ARG 76 4.546 -0.572 6.266 652 2HD ARG 76 1HD ARG 76 5.052 1.112 6.510 653 HE ARG 76 HE ARG 76 2.906 0.928 8.191 654 1HH1 ARG 76 1HH2 ARG 76 4.218 -2.018 7.742 655 2HH1 ARG 76 2HH2 ARG 76 4.915 -2.197 9.318 656 1HH2 ARG 76 1HH1 ARG 76 4.424 1.120 10.201 657 2HH2 ARG 76 2HH1 ARG 76 5.032 -0.420 10.709 658 H LYS 77 H LYS 77 2.791 -1.759 2.910 659 HA LYS 77 HA LYS 77 3.013 -0.907 0.040 660 1HB LYS 77 2HB LYS 77 4.151 -2.996 0.409 661 2HB LYS 77 1HB LYS 77 2.811 -3.626 1.367 662 1HG LYS 77 2HG LYS 77 1.359 -3.430 -0.689 663 2HG LYS 77 1HG LYS 77 2.813 -3.035 -1.604 664 1HD LYS 77 2HD LYS 77 3.654 -5.170 -1.464 665 2HD LYS 77 1HD LYS 77 2.920 -5.468 0.112 666 1HE LYS 77 2HE LYS 77 1.162 -6.502 -0.866 667 2HE LYS 77 1HE LYS 77 0.849 -5.074 -1.874 668 1HZ LYS 77 1HZ LYS 77 2.503 -5.759 -3.418 669 2HZ LYS 77 2HZ LYS 77 1.500 -7.102 -3.150 670 3HZ LYS 77 3HZ LYS 77 3.027 -7.017 -2.410 671 H LYS 78 H LYS 78 1.085 -0.480 -0.973 672 HA LYS 78 HA LYS 78 -1.442 -1.060 0.524 673 1HB LYS 78 2HB LYS 78 -0.294 1.233 -0.757 674 2HB LYS 78 1HB LYS 78 -1.783 0.812 -1.603 675 1HG LYS 78 2HG LYS 78 -3.108 1.195 0.248 676 2HG LYS 78 1HG LYS 78 -1.822 0.801 1.387 677 1HD LYS 78 2HD LYS 78 -0.859 2.916 1.237 678 2HD LYS 78 1HD LYS 78 -1.535 3.221 -0.364 679 1HE LYS 78 2HE LYS 78 -3.812 3.367 0.657 680 2HE LYS 78 1HE LYS 78 -3.069 3.183 2.259 681 1HZ LYS 78 1HZ LYS 78 -3.378 5.545 1.429 682 2HZ LYS 78 2HZ LYS 78 -2.138 5.214 0.315 683 3HZ LYS 78 3HZ LYS 78 -1.830 5.136 1.985 684 H ALA 79 H ALA 79 -3.252 -1.935 -0.713 685 HA ALA 79 HA ALA 79 -2.460 -3.080 -3.372 686 1HB ALA 79 1HB ALA 79 -4.554 -4.395 -1.780 687 2HB ALA 79 2HB ALA 79 -2.930 -4.441 -1.079 688 3HB ALA 79 3HB ALA 79 -3.215 -5.107 -2.693 689 H ILE 80 H ILE 80 -3.631 -2.242 -4.987 690 HA ILE 80 HA ILE 80 -6.374 -1.237 -4.412 691 HB ILE 80 HB ILE 80 -4.307 -0.767 -6.563 692 1HG1 ILE 80 2HG1 ILE 80 -4.499 1.537 -5.801 693 2HG1 ILE 80 1HG1 ILE 80 -5.817 1.111 -4.720 694 1HG2 ILE 80 1HG2 ILE 80 -6.442 -0.961 -7.713 695 2HG2 ILE 80 2HG2 ILE 80 -6.007 0.746 -7.611 696 3HG2 ILE 80 3HG2 ILE 80 -7.218 0.077 -6.517 697 1HD1 ILE 80 1HD1 ILE 80 -3.196 -0.320 -4.462 698 2HD1 ILE 80 2HD1 ILE 80 -4.416 0.012 -3.231 699 3HD1 ILE 80 3HD1 ILE 80 -3.355 1.305 -3.794 700 H VAL 81 H VAL 81 -7.865 -2.807 -4.760 701 HA VAL 81 HA VAL 81 -7.429 -4.726 -7.017 702 HB VAL 81 HB VAL 81 -9.219 -4.902 -4.575 703 1HG1 VAL 81 1HG1 VAL 81 -8.750 -6.582 -6.937 704 2HG1 VAL 81 2HG1 VAL 81 -10.071 -6.630 -5.769 705 3HG1 VAL 81 3HG1 VAL 81 -8.550 -7.450 -5.415 706 1HG2 VAL 81 1HG2 VAL 81 -7.220 -6.686 -4.140 707 2HG2 VAL 81 2HG2 VAL 81 -7.183 -5.033 -3.526 708 3HG2 VAL 81 3HG2 VAL 81 -6.332 -5.437 -5.013 709 H GLN 82 H GLN 82 -8.932 -4.769 -8.685 710 HA GLN 82 HA GLN 82 -11.282 -2.928 -8.421 711 1HB GLN 82 2HB GLN 82 -9.680 -2.325 -10.136 712 2HB GLN 82 1HB GLN 82 -9.650 -3.965 -10.758 713 1HG GLN 82 2HG GLN 82 -11.246 -3.297 -12.201 714 2HG GLN 82 1HG GLN 82 -12.336 -3.300 -10.818 715 1HE2 GLN 82 1HE2 GLN 82 -13.086 -1.277 -10.041 716 2HE2 GLN 82 2HE2 GLN 82 -12.606 0.214 -10.696 717 H VAL 83 H VAL 83 -13.331 -3.778 -9.174 718 HA VAL 83 HA VAL 83 -13.270 -6.739 -9.442 719 HB VAL 83 HB VAL 83 -15.340 -6.827 -8.323 720 1HG1 VAL 83 1HG1 VAL 83 -13.913 -4.443 -7.102 721 2HG1 VAL 83 2HG1 VAL 83 -13.435 -6.123 -6.862 722 3HG1 VAL 83 3HG1 VAL 83 -14.997 -5.556 -6.267 723 1HG2 VAL 83 1HG2 VAL 83 -16.602 -4.636 -7.844 724 2HG2 VAL 83 2HG2 VAL 83 -16.651 -5.243 -9.502 725 3HG2 VAL 83 3HG2 VAL 83 -15.570 -3.910 -9.079 726 H ALA 84 H ALA 84 -14.769 -7.664 -10.966 727 HA ALA 84 HA ALA 84 -14.744 -6.578 -13.535 728 1HB ALA 84 1HB ALA 84 -15.992 -8.713 -12.059 729 2HB ALA 84 2HB ALA 84 -15.527 -8.663 -13.764 730 3HB ALA 84 3HB ALA 84 -17.115 -8.074 -13.262 731 HA PRO 85 HA PRO 85 -17.927 -3.610 -13.894 732 1HB PRO 85 2HB PRO 85 -19.470 -4.471 -15.989 733 2HB PRO 85 1HB PRO 85 -17.839 -3.823 -16.194 734 1HG PRO 85 2HG PRO 85 -18.753 -6.618 -16.192 735 2HG PRO 85 1HG PRO 85 -17.510 -5.846 -17.171 736 1HD PRO 85 2HD PRO 85 -16.965 -7.421 -15.004 737 2HD PRO 85 1HD PRO 85 -15.894 -6.130 -15.573 738 H GLY 86 H GLY 86 -19.905 -3.154 -12.951 739 1HA GLY 86 2HA GLY 86 -22.144 -3.581 -12.222 740 2HA GLY 86 1HA GLY 86 -21.937 -5.277 -12.665 741 H GLN 87 H GLN 87 -19.277 -5.279 -11.204 742 HA GLN 87 HA GLN 87 -20.413 -5.856 -8.521 743 1HB GLN 87 2HB GLN 87 -17.895 -6.523 -10.044 744 2HB GLN 87 1HB GLN 87 -18.027 -6.852 -8.315 745 1HG GLN 87 2HG GLN 87 -19.942 -8.267 -8.655 746 2HG GLN 87 1HG GLN 87 -20.045 -7.803 -10.354 747 1HE2 GLN 87 1HE2 GLN 87 -19.549 -10.537 -9.096 748 2HE2 GLN 87 2HE2 GLN 87 -18.107 -11.080 -9.807 749 H LYS 88 H LYS 88 -19.098 -5.189 -6.607 750 HA LYS 88 HA LYS 88 -17.064 -3.173 -6.721 751 1HB LYS 88 2HB LYS 88 -18.586 -1.245 -6.059 752 2HB LYS 88 1HB LYS 88 -18.776 -1.800 -7.723 753 1HG LYS 88 2HG LYS 88 -20.480 -3.338 -5.967 754 2HG LYS 88 1HG LYS 88 -20.789 -1.614 -5.755 755 1HD LYS 88 2HD LYS 88 -20.459 -2.234 -8.563 756 2HD LYS 88 1HD LYS 88 -21.714 -3.253 -7.853 757 1HE LYS 88 2HE LYS 88 -23.133 -1.491 -7.562 758 2HE LYS 88 1HE LYS 88 -21.830 -0.422 -7.004 759 1HZ LYS 88 1HZ LYS 88 -21.680 -1.290 -9.773 760 2HZ LYS 88 2HZ LYS 88 -21.333 0.227 -9.092 761 3HZ LYS 88 3HZ LYS 88 -22.941 -0.215 -9.416 762 H ILE 89 H ILE 89 -16.126 -3.946 -4.829 763 HA ILE 89 HA ILE 89 -17.387 -5.103 -2.604 764 HB ILE 89 HB ILE 89 -14.924 -3.332 -2.756 765 1HG1 ILE 89 2HG1 ILE 89 -15.196 -6.350 -2.890 766 2HG1 ILE 89 1HG1 ILE 89 -14.981 -5.313 -4.299 767 1HG2 ILE 89 1HG2 ILE 89 -15.842 -3.769 -0.434 768 2HG2 ILE 89 2HG2 ILE 89 -14.209 -4.379 -0.708 769 3HG2 ILE 89 3HG2 ILE 89 -15.580 -5.488 -0.733 770 1HD1 ILE 89 1HD1 ILE 89 -13.056 -5.107 -2.004 771 2HD1 ILE 89 2HD1 ILE 89 -12.799 -4.731 -3.707 772 3HD1 ILE 89 3HD1 ILE 89 -12.877 -6.411 -3.177 773 H GLU 90 H GLU 90 -19.327 -3.943 -2.118 774 HA GLU 90 HA GLU 90 -19.523 -1.138 -1.663 775 1HB GLU 90 2HB GLU 90 -21.079 -3.529 -0.641 776 2HB GLU 90 1HB GLU 90 -21.624 -1.860 -0.462 777 1HG GLU 90 2HG GLU 90 -20.798 -2.669 -3.196 778 2HG GLU 90 1HG GLU 90 -22.281 -3.404 -2.588 779 H ALA 91 H ALA 91 -18.022 -3.562 0.256 780 HA ALA 91 HA ALA 91 -18.515 -2.732 2.901 781 1HB ALA 91 1HB ALA 91 -16.243 -3.711 3.302 782 2HB ALA 91 2HB ALA 91 -15.988 -3.736 1.557 783 3HB ALA 91 3HB ALA 91 -17.257 -4.726 2.277 784 H LEU 92 H LEU 92 -16.355 -1.280 0.473 785 HA LEU 92 HA LEU 92 -15.540 0.780 2.492 786 1HB LEU 92 2HB LEU 92 -14.316 0.686 -0.214 787 2HB LEU 92 1HB LEU 92 -13.543 0.893 1.354 788 HG LEU 92 HG LEU 92 -14.542 -1.690 0.137 789 1HD1 LEU 92 1HD1 LEU 92 -12.046 -0.324 0.067 790 2HD1 LEU 92 2HD1 LEU 92 -12.406 -1.943 -0.532 791 3HD1 LEU 92 3HD1 LEU 92 -11.844 -1.721 1.124 792 1HD2 LEU 92 1HD2 LEU 92 -14.177 -0.886 2.911 793 2HD2 LEU 92 2HD2 LEU 92 -13.112 -2.226 2.488 794 3HD2 LEU 92 3HD2 LEU 92 -14.855 -2.382 2.266 795 H GLU 93 H GLU 93 -17.312 0.311 -0.488 796 HA GLU 93 HA GLU 93 -17.288 2.832 -1.661 797 1HB GLU 93 2HB GLU 93 -19.324 2.151 -2.668 798 2HB GLU 93 1HB GLU 93 -18.527 0.635 -2.251 799 1HG GLU 93 2HG GLU 93 -20.665 0.268 -1.409 800 2HG GLU 93 1HG GLU 93 -19.845 0.907 0.014 801 H GLY 94 H GLY 94 -18.889 1.843 1.320 802 1HA GLY 94 2HA GLY 94 -20.063 4.570 1.590 803 2HA GLY 94 1HA GLY 94 -20.563 3.158 2.522 804 H LEU 95 H LEU 95 -17.560 2.504 2.768 805 HA LEU 95 HA LEU 95 -17.102 3.424 5.387 806 1HB LEU 95 2HB LEU 95 -15.826 1.627 4.458 807 2HB LEU 95 1HB LEU 95 -15.285 2.618 3.104 808 HG LEU 95 HG LEU 95 -14.072 4.087 4.733 809 1HD1 LEU 95 1HD1 LEU 95 -13.893 3.510 7.017 810 2HD1 LEU 95 2HD1 LEU 95 -14.508 1.880 6.744 811 3HD1 LEU 95 3HD1 LEU 95 -15.601 3.261 6.658 812 1HD2 LEU 95 1HD2 LEU 95 -13.295 1.159 4.930 813 2HD2 LEU 95 2HD2 LEU 95 -12.219 2.550 5.062 814 3HD2 LEU 95 3HD2 LEU 95 -12.981 2.169 3.519 815 H ILE 96 H ILE 96 -16.835 5.153 2.391 816 HA ILE 96 HA ILE 96 -14.893 7.092 2.783 817 HB ILE 96 HB ILE 96 -17.709 7.180 1.690 818 1HG1 ILE 96 2HG1 ILE 96 -14.973 7.289 0.380 819 2HG1 ILE 96 1HG1 ILE 96 -15.969 5.840 0.517 820 1HG2 ILE 96 1HG2 ILE 96 -16.712 9.345 0.546 821 2HG2 ILE 96 2HG2 ILE 96 -15.711 9.398 1.997 822 3HG2 ILE 96 3HG2 ILE 96 -17.468 9.452 2.135 823 1HD1 ILE 96 1HD1 ILE 96 -16.133 7.121 -1.696 824 2HD1 ILE 96 2HD1 ILE 96 -16.984 8.371 -0.788 825 3HD1 ILE 96 3HD1 ILE 96 -17.660 6.745 -0.896 Start of MODEL 3 1 1H MET 1 1HT MET 1 -5.015 -18.168 8.217 2 2H MET 1 2HT MET 1 -6.285 -19.226 8.605 3 3H MET 1 3HT MET 1 -6.297 -17.630 9.186 4 HA MET 1 HA MET 1 -6.983 -18.642 6.523 5 1HB MET 1 2HB MET 1 -8.352 -17.662 8.619 6 2HB MET 1 1HB MET 1 -7.958 -16.133 7.827 7 1HG MET 1 2HG MET 1 -9.714 -16.506 6.467 8 2HG MET 1 1HG MET 1 -8.767 -17.804 5.739 9 1HE MET 1 1HE MET 1 -12.666 -18.022 7.072 10 2HE MET 1 2HE MET 1 -12.046 -18.772 5.604 11 3HE MET 1 3HE MET 1 -11.621 -17.104 5.979 12 H LYS 2 H LYS 2 -5.573 -17.939 4.888 13 HA LYS 2 HA LYS 2 -4.222 -15.339 5.226 14 1HB LYS 2 2HB LYS 2 -3.918 -16.389 2.571 15 2HB LYS 2 1HB LYS 2 -2.700 -16.240 3.810 16 1HG LYS 2 2HG LYS 2 -3.493 -18.412 4.789 17 2HG LYS 2 1HG LYS 2 -4.585 -18.578 3.414 18 1HD LYS 2 2HD LYS 2 -2.381 -18.152 2.014 19 2HD LYS 2 1HD LYS 2 -1.592 -18.727 3.483 20 1HE LYS 2 2HE LYS 2 -3.908 -20.309 2.413 21 2HE LYS 2 1HE LYS 2 -2.331 -20.461 1.613 22 1HZ LYS 2 1HZ LYS 2 -2.465 -20.494 4.550 23 2HZ LYS 2 2HZ LYS 2 -1.324 -21.213 3.518 24 3HZ LYS 2 3HZ LYS 2 -2.864 -21.905 3.700 25 H THR 3 H THR 3 -6.537 -14.508 5.383 26 HA THR 3 HA THR 3 -7.664 -13.943 2.674 27 HB THR 3 HB THR 3 -9.669 -13.312 4.181 28 HG1 THR 3 1HG THR 3 -8.403 -14.921 6.084 29 1HG2 THR 3 1HG2 THR 3 -10.438 -15.515 4.117 30 2HG2 THR 3 2HG2 THR 3 -8.865 -16.179 4.562 31 3HG2 THR 3 3HG2 THR 3 -9.132 -15.561 2.932 32 H ALA 4 H ALA 4 -8.704 -11.923 5.226 33 HA ALA 4 HA ALA 4 -7.358 -9.602 4.035 34 1HB ALA 4 1HB ALA 4 -9.545 -9.172 4.643 35 2HB ALA 4 2HB ALA 4 -8.716 -8.631 6.106 36 3HB ALA 4 3HB ALA 4 -9.466 -10.231 6.054 37 H TYR 5 H TYR 5 -6.588 -11.933 6.285 38 HA TYR 5 HA TYR 5 -5.355 -10.746 8.496 39 1HB TYR 5 2HB TYR 5 -4.227 -12.864 8.590 40 2HB TYR 5 1HB TYR 5 -5.747 -13.189 7.756 41 HD1 TYR 5 1HD TYR 5 -2.619 -14.324 7.628 42 HD2 TYR 5 2HD TYR 5 -5.260 -12.124 5.053 43 HE1 TYR 5 1HE TYR 5 -1.337 -15.077 5.636 44 HE2 TYR 5 2HE TYR 5 -4.010 -12.860 3.089 45 HH TYR 5 HH TYR 5 -1.037 -14.798 3.433 46 H ASP 6 H ASP 6 -2.651 -11.904 7.845 47 HA ASP 6 HA ASP 6 -0.871 -9.926 7.624 48 1HB ASP 6 2HB ASP 6 -1.112 -12.591 6.266 49 2HB ASP 6 1HB ASP 6 0.311 -11.598 5.952 50 H VAL 7 H VAL 7 -2.170 -11.381 4.616 51 HA VAL 7 HA VAL 7 -1.026 -9.603 2.783 52 HB VAL 7 HB VAL 7 -3.727 -10.990 2.719 53 1HG1 VAL 7 1HG1 VAL 7 -2.287 -10.785 0.216 54 2HG1 VAL 7 2HG1 VAL 7 -2.618 -9.183 0.882 55 3HG1 VAL 7 3HG1 VAL 7 -3.942 -10.311 0.587 56 1HG2 VAL 7 1HG2 VAL 7 -1.183 -11.958 1.449 57 2HG2 VAL 7 2HG2 VAL 7 -2.618 -12.875 1.900 58 3HG2 VAL 7 3HG2 VAL 7 -1.506 -12.300 3.147 59 H ILE 8 H ILE 8 -4.364 -9.158 2.333 60 HA ILE 8 HA ILE 8 -4.059 -6.263 2.750 61 HB ILE 8 HB ILE 8 -6.419 -7.894 1.784 62 1HG1 ILE 8 2HG1 ILE 8 -4.051 -6.801 0.232 63 2HG1 ILE 8 1HG1 ILE 8 -4.403 -8.502 0.516 64 1HG2 ILE 8 1HG2 ILE 8 -6.005 -5.422 0.409 65 2HG2 ILE 8 2HG2 ILE 8 -5.897 -5.095 2.140 66 3HG2 ILE 8 3HG2 ILE 8 -7.345 -5.855 1.477 67 1HD1 ILE 8 1HD1 ILE 8 -6.782 -7.427 -0.512 68 2HD1 ILE 8 2HD1 ILE 8 -5.650 -8.489 -1.349 69 3HD1 ILE 8 3HD1 ILE 8 -5.493 -6.738 -1.499 70 H LEU 9 H LEU 9 -4.432 -5.497 4.793 71 HA LEU 9 HA LEU 9 -6.356 -6.873 6.580 72 1HB LEU 9 2HB LEU 9 -4.308 -4.663 6.829 73 2HB LEU 9 1HB LEU 9 -5.421 -5.039 8.144 74 HG LEU 9 HG LEU 9 -4.468 -7.534 7.376 75 1HD1 LEU 9 1HD1 LEU 9 -2.631 -6.938 6.103 76 2HD1 LEU 9 2HD1 LEU 9 -1.898 -6.902 7.707 77 3HD1 LEU 9 3HD1 LEU 9 -2.417 -5.401 6.941 78 1HD2 LEU 9 1HD2 LEU 9 -3.288 -7.458 9.531 79 2HD2 LEU 9 2HD2 LEU 9 -4.862 -6.677 9.677 80 3HD2 LEU 9 3HD2 LEU 9 -3.401 -5.698 9.548 81 H ALA 10 H ALA 10 -5.860 -3.392 6.584 82 HA ALA 10 HA ALA 10 -8.799 -3.035 6.124 83 1HB ALA 10 1HB ALA 10 -8.671 -1.365 7.712 84 2HB ALA 10 2HB ALA 10 -7.042 -0.891 7.228 85 3HB ALA 10 3HB ALA 10 -7.283 -2.322 8.230 86 HA PRO 11 HA PRO 11 -7.901 -0.868 2.397 87 1HB PRO 11 2HB PRO 11 -10.147 0.685 2.236 88 2HB PRO 11 1HB PRO 11 -10.158 -1.061 1.917 89 1HG PRO 11 2HG PRO 11 -11.020 0.424 4.342 90 2HG PRO 11 1HG PRO 11 -11.719 -1.018 3.592 91 1HD PRO 11 2HD PRO 11 -10.127 -1.065 5.823 92 2HD PRO 11 1HD PRO 11 -10.313 -2.431 4.702 93 H VAL 12 H VAL 12 -8.109 1.629 1.627 94 HA VAL 12 HA VAL 12 -6.982 3.283 3.863 95 HB VAL 12 HB VAL 12 -5.506 4.216 2.270 96 1HG1 VAL 12 1HG1 VAL 12 -5.620 1.466 2.563 97 2HG1 VAL 12 2HG1 VAL 12 -4.285 2.361 1.837 98 3HG1 VAL 12 3HG1 VAL 12 -5.545 1.673 0.813 99 1HG2 VAL 12 1HG2 VAL 12 -7.267 4.734 0.592 100 2HG2 VAL 12 2HG2 VAL 12 -7.268 3.041 0.094 101 3HG2 VAL 12 3HG2 VAL 12 -5.831 4.033 -0.157 102 H LEU 13 H LEU 13 -8.037 5.192 4.315 103 HA LEU 13 HA LEU 13 -10.322 5.949 2.549 104 1HB LEU 13 2HB LEU 13 -9.567 6.491 5.432 105 2HB LEU 13 1HB LEU 13 -10.930 7.277 4.638 106 HG LEU 13 HG LEU 13 -11.828 5.360 5.758 107 1HD1 LEU 13 1HD1 LEU 13 -12.908 4.313 3.975 108 2HD1 LEU 13 2HD1 LEU 13 -11.445 4.262 2.989 109 3HD1 LEU 13 3HD1 LEU 13 -12.313 5.783 3.202 110 1HD2 LEU 13 1HD2 LEU 13 -9.427 4.296 5.805 111 2HD2 LEU 13 2HD2 LEU 13 -9.941 3.521 4.307 112 3HD2 LEU 13 3HD2 LEU 13 -10.838 3.237 5.798 113 H SER 14 H SER 14 -9.738 7.505 1.078 114 HA SER 14 HA SER 14 -8.582 10.027 2.021 115 1HB SER 14 2HB SER 14 -7.049 8.080 0.277 116 2HB SER 14 1HB SER 14 -6.600 9.774 0.459 117 HG SER 14 HG SER 14 -6.313 7.659 2.190 118 H GLU 15 H GLU 15 -9.510 11.604 0.766 119 HA GLU 15 HA GLU 15 -11.370 11.282 -1.249 120 1HB GLU 15 2HB GLU 15 -9.505 13.358 -0.324 121 2HB GLU 15 1HB GLU 15 -10.000 13.567 -2.005 122 1HG GLU 15 2HG GLU 15 -12.323 12.837 -0.542 123 2HG GLU 15 1HG GLU 15 -11.511 14.103 0.378 124 H LYS 16 H LYS 16 -7.914 11.996 -1.910 125 HA LYS 16 HA LYS 16 -7.961 11.611 -4.689 126 1HB LYS 16 2HB LYS 16 -6.116 12.095 -2.638 127 2HB LYS 16 1HB LYS 16 -5.535 10.624 -3.418 128 1HG LYS 16 2HG LYS 16 -4.534 12.349 -4.680 129 2HG LYS 16 1HG LYS 16 -5.940 11.894 -5.642 130 1HD LYS 16 2HD LYS 16 -6.950 13.797 -3.886 131 2HD LYS 16 1HD LYS 16 -5.354 14.424 -4.301 132 1HE LYS 16 2HE LYS 16 -6.100 15.047 -6.344 133 2HE LYS 16 1HE LYS 16 -6.644 13.392 -6.679 134 1HZ LYS 16 1HZ LYS 16 -8.565 13.886 -5.164 135 2HZ LYS 16 2HZ LYS 16 -8.580 14.728 -6.639 136 3HZ LYS 16 3HZ LYS 16 -8.104 15.517 -5.212 137 H ALA 17 H ALA 17 -8.269 9.270 -2.164 138 HA ALA 17 HA ALA 17 -7.522 7.016 -3.953 139 1HB ALA 17 1HB ALA 17 -7.375 5.777 -1.952 140 2HB ALA 17 2HB ALA 17 -8.501 6.839 -1.107 141 3HB ALA 17 3HB ALA 17 -6.862 7.389 -1.454 142 H TYR 18 H TYR 18 -10.295 8.101 -1.945 143 HA TYR 18 HA TYR 18 -12.142 6.093 -2.632 144 1HB TYR 18 2HB TYR 18 -12.147 8.861 -1.640 145 2HB TYR 18 1HB TYR 18 -13.635 8.416 -2.477 146 HD1 TYR 18 1HD TYR 18 -12.719 8.792 0.658 147 HD2 TYR 18 2HD TYR 18 -13.797 5.521 -1.906 148 HE1 TYR 18 1HE TYR 18 -13.441 7.482 2.635 149 HE2 TYR 18 2HE TYR 18 -14.519 4.206 0.073 150 HH TYR 18 HH TYR 18 -14.845 5.635 3.202 151 H ALA 19 H ALA 19 -11.101 8.919 -4.490 152 HA ALA 19 HA ALA 19 -13.108 8.811 -6.541 153 1HB ALA 19 1HB ALA 19 -10.325 9.583 -7.240 154 2HB ALA 19 2HB ALA 19 -11.016 10.427 -5.856 155 3HB ALA 19 3HB ALA 19 -11.818 10.502 -7.424 156 H GLY 20 H GLY 20 -10.362 6.884 -5.774 157 1HA GLY 20 2HA GLY 20 -10.446 5.472 -8.401 158 2HA GLY 20 1HA GLY 20 -9.148 5.320 -7.202 159 H PHE 21 H PHE 21 -10.803 5.199 -4.926 160 HA PHE 21 HA PHE 21 -11.443 2.399 -4.754 161 1HB PHE 21 2HB PHE 21 -11.044 4.561 -3.075 162 2HB PHE 21 1HB PHE 21 -12.780 4.296 -2.927 163 HD1 PHE 21 1HD PHE 21 -9.768 2.081 -3.282 164 HD2 PHE 21 2HD PHE 21 -13.342 3.001 -1.091 165 HE1 PHE 21 1HE PHE 21 -9.342 0.153 -1.781 166 HE2 PHE 21 2HE PHE 21 -12.921 1.076 0.408 167 HZ PHE 21 HZ PHE 21 -10.921 -0.351 0.066 168 H ALA 22 H ALA 22 -13.083 5.200 -5.918 169 HA ALA 22 HA ALA 22 -15.742 4.024 -5.727 170 1HB ALA 22 1HB ALA 22 -16.351 6.270 -6.715 171 2HB ALA 22 2HB ALA 22 -14.630 6.655 -6.694 172 3HB ALA 22 3HB ALA 22 -15.484 6.354 -5.181 173 H GLU 23 H GLU 23 -13.229 3.560 -7.767 174 HA GLU 23 HA GLU 23 -14.925 3.507 -10.237 175 1HB GLU 23 2HB GLU 23 -12.157 4.219 -9.562 176 2HB GLU 23 1HB GLU 23 -12.276 3.165 -10.971 177 1HG GLU 23 2HG GLU 23 -14.184 4.800 -11.709 178 2HG GLU 23 1HG GLU 23 -13.429 5.912 -10.567 179 H GLY 24 H GLY 24 -14.395 1.410 -7.925 180 1HA GLY 24 2HA GLY 24 -14.776 -0.948 -8.145 181 2HA GLY 24 1HA GLY 24 -14.141 -0.851 -9.781 182 H LYS 25 H LYS 25 -11.846 0.826 -8.771 183 HA LYS 25 HA LYS 25 -10.042 -1.405 -8.141 184 1HB LYS 25 2HB LYS 25 -9.596 1.599 -8.311 185 2HB LYS 25 1HB LYS 25 -8.343 0.361 -8.384 186 1HG LYS 25 2HG LYS 25 -9.628 -0.582 -10.403 187 2HG LYS 25 1HG LYS 25 -10.508 0.945 -10.408 188 1HD LYS 25 2HD LYS 25 -8.539 2.206 -10.826 189 2HD LYS 25 1HD LYS 25 -7.489 0.851 -10.407 190 1HE LYS 25 2HE LYS 25 -9.422 0.697 -12.734 191 2HE LYS 25 1HE LYS 25 -7.767 1.310 -12.920 192 1HZ LYS 25 1HZ LYS 25 -8.683 -1.381 -12.226 193 2HZ LYS 25 2HZ LYS 25 -7.259 -0.826 -11.484 194 3HZ LYS 25 3HZ LYS 25 -7.363 -0.903 -13.178 195 H TYR 26 H TYR 26 -9.119 -1.785 -6.076 196 HA TYR 26 HA TYR 26 -9.998 0.085 -3.908 197 1HB TYR 26 2HB TYR 26 -9.889 -2.937 -3.999 198 2HB TYR 26 1HB TYR 26 -10.209 -2.013 -2.530 199 HD1 TYR 26 1HD TYR 26 -11.844 -3.851 -4.877 200 HD2 TYR 26 2HD TYR 26 -11.949 0.104 -3.205 201 HE1 TYR 26 1HE TYR 26 -14.229 -3.639 -5.527 202 HE2 TYR 26 2HE TYR 26 -14.334 0.316 -3.855 203 HH TYR 26 HH TYR 26 -16.296 -1.894 -4.386 204 H THR 27 H THR 27 -8.187 1.096 -3.231 205 HA THR 27 HA THR 27 -5.545 -0.139 -3.204 206 HB THR 27 HB THR 27 -6.564 2.457 -2.007 207 HG1 THR 27 1HG THR 27 -5.270 2.513 -4.426 208 1HG2 THR 27 1HG2 THR 27 -4.392 3.014 -1.655 209 2HG2 THR 27 2HG2 THR 27 -3.860 2.276 -3.166 210 3HG2 THR 27 3HG2 THR 27 -4.109 1.275 -1.735 211 H PHE 28 H PHE 28 -5.038 -1.539 -1.533 212 HA PHE 28 HA PHE 28 -6.402 -1.090 1.098 213 1HB PHE 28 2HB PHE 28 -6.077 -3.348 -0.661 214 2HB PHE 28 1HB PHE 28 -5.336 -3.704 0.899 215 HD1 PHE 28 1HD PHE 28 -8.457 -3.123 -0.887 216 HD2 PHE 28 2HD PHE 28 -6.655 -3.486 2.995 217 HE1 PHE 28 1HE PHE 28 -10.702 -3.442 0.126 218 HE2 PHE 28 2HE PHE 28 -8.898 -3.804 4.009 219 HZ PHE 28 HZ PHE 28 -10.919 -3.782 2.574 220 H TRP 29 H TRP 29 -5.136 -1.831 2.993 221 HA TRP 29 HA TRP 29 -2.264 -1.077 2.759 222 1HB TRP 29 2HB TRP 29 -4.386 -1.154 4.897 223 2HB TRP 29 1HB TRP 29 -2.695 -1.268 5.386 224 HD1 TRP 29 HD TRP 29 -5.128 1.247 5.228 225 HE1 TRP 29 1HE TRP 29 -4.167 3.572 4.674 226 HE3 TRP 29 3HE TRP 29 -0.566 -0.105 3.371 227 HZ2 TRP 29 2HZ TRP 29 -1.779 4.711 3.585 228 HZ3 TRP 29 3HZ TRP 29 1.031 1.619 2.582 229 HH2 TRP 29 HH TRP 29 0.431 4.022 2.688 230 H VAL 30 H VAL 30 -0.879 -2.834 2.653 231 HA VAL 30 HA VAL 30 -1.736 -5.320 4.040 232 HB VAL 30 HB VAL 30 -2.617 -5.519 1.872 233 1HG1 VAL 30 1HG1 VAL 30 -1.268 -5.024 -0.175 234 2HG1 VAL 30 2HG1 VAL 30 0.018 -4.418 0.867 235 3HG1 VAL 30 3HG1 VAL 30 -1.543 -3.600 0.827 236 1HG2 VAL 30 1HG2 VAL 30 -0.578 -7.180 2.672 237 2HG2 VAL 30 2HG2 VAL 30 -0.182 -6.799 1.002 238 3HG2 VAL 30 3HG2 VAL 30 -1.750 -7.498 1.402 239 H HIS 31 H HIS 31 -0.028 -6.820 4.359 240 HA HIS 31 HA HIS 31 2.467 -5.734 5.177 241 1HB HIS 31 2HB HIS 31 1.079 -8.089 5.414 242 2HB HIS 31 1HB HIS 31 2.406 -8.574 4.358 243 HD1 HIS 31 1HD HIS 31 3.719 -9.872 6.145 244 HD2 HIS 31 2HD HIS 31 2.956 -5.919 7.226 245 HE1 HIS 31 1HE HIS 31 5.122 -9.409 8.203 246 HA PRO 32 HA PRO 32 4.677 -5.464 1.380 247 1HB PRO 32 2HB PRO 32 7.225 -5.648 2.341 248 2HB PRO 32 1HB PRO 32 6.219 -4.207 2.546 249 1HG PRO 32 2HG PRO 32 6.822 -6.374 4.489 250 2HG PRO 32 1HG PRO 32 6.676 -4.630 4.755 251 1HD PRO 32 2HD PRO 32 4.707 -6.420 5.363 252 2HD PRO 32 1HD PRO 32 4.399 -4.718 4.952 253 H LYS 33 H LYS 33 3.697 -7.762 1.039 254 HA LYS 33 HA LYS 33 5.737 -9.554 0.109 255 1HB LYS 33 2HB LYS 33 5.161 -11.330 1.926 256 2HB LYS 33 1HB LYS 33 6.251 -10.017 2.373 257 1HG LYS 33 2HG LYS 33 4.831 -9.378 3.995 258 2HG LYS 33 1HG LYS 33 3.564 -9.120 2.803 259 1HD LYS 33 2HD LYS 33 3.814 -11.930 3.151 260 2HD LYS 33 1HD LYS 33 3.768 -11.210 4.760 261 1HE LYS 33 2HE LYS 33 1.619 -10.389 4.480 262 2HE LYS 33 1HE LYS 33 1.806 -10.213 2.723 263 1HZ LYS 33 1HZ LYS 33 1.603 -12.771 4.226 264 2HZ LYS 33 2HZ LYS 33 1.908 -12.647 2.559 265 3HZ LYS 33 3HZ LYS 33 0.423 -12.119 3.196 266 H ALA 34 H ALA 34 2.432 -9.151 1.313 267 HA ALA 34 HA ALA 34 1.059 -11.356 0.399 268 1HB ALA 34 1HB ALA 34 -0.337 -9.019 -0.491 269 2HB ALA 34 2HB ALA 34 0.561 -8.595 0.967 270 3HB ALA 34 3HB ALA 34 -0.588 -9.934 0.995 271 H THR 35 H THR 35 2.052 -12.297 -1.489 272 HA THR 35 HA THR 35 2.898 -11.184 -3.860 273 HB THR 35 HB THR 35 1.613 -13.356 -4.795 274 HG1 THR 35 1HG THR 35 1.436 -14.788 -2.956 275 1HG2 THR 35 1HG2 THR 35 3.942 -13.343 -2.858 276 2HG2 THR 35 2HG2 THR 35 4.032 -13.156 -4.609 277 3HG2 THR 35 3HG2 THR 35 3.525 -14.694 -3.912 278 H LYS 36 H LYS 36 1.943 -10.267 -5.692 279 HA LYS 36 HA LYS 36 -0.382 -8.779 -5.632 280 1HB LYS 36 2HB LYS 36 1.180 -10.196 -7.755 281 2HB LYS 36 1HB LYS 36 -0.356 -9.466 -8.219 282 1HG LYS 36 2HG LYS 36 1.044 -7.603 -6.561 283 2HG LYS 36 1HG LYS 36 2.153 -8.166 -7.813 284 1HD LYS 36 2HD LYS 36 0.554 -7.586 -9.556 285 2HD LYS 36 1HD LYS 36 -0.651 -7.144 -8.346 286 1HE LYS 36 2HE LYS 36 0.304 -5.061 -8.985 287 2HE LYS 36 1HE LYS 36 1.164 -5.468 -7.488 288 1HZ LYS 36 1HZ LYS 36 2.949 -5.172 -8.841 289 2HZ LYS 36 2HZ LYS 36 2.100 -5.581 -10.255 290 3HZ LYS 36 3HZ LYS 36 2.643 -6.800 -9.204 291 H THR 37 H THR 37 -0.112 -12.225 -6.509 292 HA THR 37 HA THR 37 -2.913 -12.580 -7.113 293 HB THR 37 HB THR 37 -0.805 -14.532 -6.259 294 HG1 THR 37 1HG THR 37 -0.369 -13.143 -8.122 295 1HG2 THR 37 1HG2 THR 37 -3.113 -15.109 -8.081 296 2HG2 THR 37 2HG2 THR 37 -3.325 -15.180 -6.332 297 3HG2 THR 37 3HG2 THR 37 -2.155 -16.237 -7.121 298 H GLU 38 H GLU 38 -0.931 -12.949 -4.201 299 HA GLU 38 HA GLU 38 -2.815 -14.267 -2.529 300 1HB GLU 38 2HB GLU 38 -0.361 -12.654 -2.309 301 2HB GLU 38 1HB GLU 38 -1.400 -12.547 -0.887 302 1HG GLU 38 2HG GLU 38 -1.469 -15.008 -0.744 303 2HG GLU 38 1HG GLU 38 -0.436 -15.122 -2.170 304 H ILE 39 H ILE 39 -2.320 -10.794 -3.189 305 HA ILE 39 HA ILE 39 -4.243 -9.739 -1.381 306 HB ILE 39 HB ILE 39 -2.839 -8.965 -3.890 307 1HG1 ILE 39 2HG1 ILE 39 -3.268 -6.982 -1.773 308 2HG1 ILE 39 1HG1 ILE 39 -2.571 -8.490 -1.177 309 1HG2 ILE 39 1HG2 ILE 39 -5.537 -7.943 -3.209 310 2HG2 ILE 39 2HG2 ILE 39 -4.688 -7.939 -4.749 311 3HG2 ILE 39 3HG2 ILE 39 -4.321 -6.710 -3.541 312 1HD1 ILE 39 1HD1 ILE 39 -0.573 -7.835 -1.974 313 2HD1 ILE 39 2HD1 ILE 39 -1.298 -6.397 -2.694 314 3HD1 ILE 39 3HD1 ILE 39 -1.240 -7.907 -3.605 315 H LYS 40 H LYS 40 -4.560 -11.257 -4.538 316 HA LYS 40 HA LYS 40 -7.267 -10.547 -5.136 317 1HB LYS 40 2HB LYS 40 -5.462 -11.617 -6.589 318 2HB LYS 40 1HB LYS 40 -5.809 -13.133 -5.758 319 1HG LYS 40 2HG LYS 40 -7.817 -13.410 -6.806 320 2HG LYS 40 1HG LYS 40 -8.163 -11.681 -6.821 321 1HD LYS 40 2HD LYS 40 -6.745 -11.314 -8.710 322 2HD LYS 40 1HD LYS 40 -6.035 -12.923 -8.574 323 1HE LYS 40 2HE LYS 40 -8.945 -13.048 -8.821 324 2HE LYS 40 1HE LYS 40 -8.186 -12.246 -10.210 325 1HZ LYS 40 1HZ LYS 40 -6.629 -14.054 -10.404 326 2HZ LYS 40 2HZ LYS 40 -8.208 -14.683 -10.439 327 3HZ LYS 40 3HZ LYS 40 -7.269 -14.814 -9.029 328 H ASN 41 H ASN 41 -5.868 -13.368 -3.466 329 HA ASN 41 HA ASN 41 -8.417 -14.596 -2.851 330 1HB ASN 41 2HB ASN 41 -5.559 -14.909 -1.914 331 2HB ASN 41 1HB ASN 41 -6.861 -15.926 -1.296 332 1HD2 ASN 41 1HD2 ASN 41 -4.978 -15.142 -4.199 333 2HD2 ASN 41 2HD2 ASN 41 -5.494 -16.481 -5.106 334 H ALA 42 H ALA 42 -6.252 -12.372 -1.096 335 HA ALA 42 HA ALA 42 -7.377 -12.625 1.489 336 1HB ALA 42 1HB ALA 42 -5.346 -11.402 1.148 337 2HB ALA 42 2HB ALA 42 -6.544 -10.218 1.699 338 3HB ALA 42 3HB ALA 42 -6.126 -10.318 -0.015 339 H VAL 43 H VAL 43 -8.310 -10.312 -1.099 340 HA VAL 43 HA VAL 43 -10.609 -9.359 0.429 341 HB VAL 43 HB VAL 43 -11.136 -8.330 -1.899 342 1HG1 VAL 43 1HG1 VAL 43 -8.659 -7.100 -1.472 343 2HG1 VAL 43 2HG1 VAL 43 -9.121 -7.739 0.106 344 3HG1 VAL 43 3HG1 VAL 43 -10.202 -6.640 -0.751 345 1HG2 VAL 43 1HG2 VAL 43 -8.326 -8.656 -2.663 346 2HG2 VAL 43 2HG2 VAL 43 -9.781 -8.768 -3.653 347 3HG2 VAL 43 3HG2 VAL 43 -9.233 -10.166 -2.729 348 H GLU 44 H GLU 44 -10.131 -11.697 -2.214 349 HA GLU 44 HA GLU 44 -12.834 -12.136 -2.934 350 1HB GLU 44 2HB GLU 44 -10.229 -13.435 -3.160 351 2HB GLU 44 1HB GLU 44 -11.538 -14.610 -3.051 352 1HG GLU 44 2HG GLU 44 -12.346 -12.467 -4.790 353 2HG GLU 44 1HG GLU 44 -10.779 -13.082 -5.319 354 H THR 45 H THR 45 -10.979 -13.326 -0.168 355 HA THR 45 HA THR 45 -13.004 -15.251 0.684 356 HB THR 45 HB THR 45 -11.505 -15.500 2.581 357 HG1 THR 45 1HG THR 45 -11.153 -13.346 3.048 358 1HG2 THR 45 1HG2 THR 45 -10.302 -16.608 1.009 359 2HG2 THR 45 2HG2 THR 45 -9.218 -15.217 1.091 360 3HG2 THR 45 3HG2 THR 45 -10.458 -15.298 -0.162 361 H ALA 46 H ALA 46 -11.964 -12.013 1.789 362 HA ALA 46 HA ALA 46 -14.115 -11.862 3.781 363 1HB ALA 46 1HB ALA 46 -13.094 -9.668 4.214 364 2HB ALA 46 2HB ALA 46 -12.154 -9.799 2.727 365 3HB ALA 46 3HB ALA 46 -11.840 -10.899 4.067 366 H PHE 47 H PHE 47 -13.294 -9.923 0.863 367 HA PHE 47 HA PHE 47 -15.842 -8.553 0.842 368 1HB PHE 47 2HB PHE 47 -13.510 -8.904 -1.032 369 2HB PHE 47 1HB PHE 47 -14.949 -8.023 -1.549 370 HD1 PHE 47 1HD PHE 47 -11.806 -7.484 -0.339 371 HD2 PHE 47 2HD PHE 47 -15.873 -6.483 0.605 372 HE1 PHE 47 1HE PHE 47 -11.025 -5.481 0.898 373 HE2 PHE 47 2HE PHE 47 -15.094 -4.481 1.842 374 HZ PHE 47 HZ PHE 47 -12.669 -3.981 1.989 375 H LYS 48 H LYS 48 -14.737 -11.607 -0.391 376 HA LYS 48 HA LYS 48 -15.806 -13.253 -1.700 377 1HB LYS 48 2HB LYS 48 -18.038 -11.765 -0.300 378 2HB LYS 48 1HB LYS 48 -18.346 -13.209 -1.266 379 1HG LYS 48 2HG LYS 48 -16.110 -13.660 0.511 380 2HG LYS 48 1HG LYS 48 -17.515 -13.114 1.428 381 1HD LYS 48 2HD LYS 48 -18.346 -15.011 -0.582 382 2HD LYS 48 1HD LYS 48 -17.051 -15.705 0.395 383 1HE LYS 48 2HE LYS 48 -18.538 -14.572 2.363 384 2HE LYS 48 1HE LYS 48 -19.814 -14.960 1.191 385 1HZ LYS 48 1HZ LYS 48 -19.573 -16.968 2.251 386 2HZ LYS 48 2HZ LYS 48 -17.909 -16.761 2.523 387 3HZ LYS 48 3HZ LYS 48 -18.476 -17.164 0.973 388 H VAL 49 H VAL 49 -15.017 -11.005 -3.157 389 HA VAL 49 HA VAL 49 -17.295 -10.572 -5.042 390 HB VAL 49 HB VAL 49 -15.810 -8.779 -3.596 391 1HG1 VAL 49 1HG1 VAL 49 -14.703 -8.355 -6.336 392 2HG1 VAL 49 2HG1 VAL 49 -13.887 -9.511 -5.281 393 3HG1 VAL 49 3HG1 VAL 49 -14.072 -7.833 -4.775 394 1HG2 VAL 49 1HG2 VAL 49 -17.938 -8.568 -5.011 395 2HG2 VAL 49 2HG2 VAL 49 -16.860 -8.101 -6.326 396 3HG2 VAL 49 3HG2 VAL 49 -16.921 -7.137 -4.850 397 H LYS 50 H LYS 50 -15.758 -9.621 -7.180 398 HA LYS 50 HA LYS 50 -14.168 -12.056 -7.925 399 1HB LYS 50 2HB LYS 50 -16.437 -11.514 -9.042 400 2HB LYS 50 1HB LYS 50 -15.588 -10.178 -9.824 401 1HG LYS 50 2HG LYS 50 -14.591 -13.034 -9.920 402 2HG LYS 50 1HG LYS 50 -15.648 -12.349 -11.155 403 1HD LYS 50 2HD LYS 50 -13.871 -10.423 -11.229 404 2HD LYS 50 1HD LYS 50 -12.812 -11.617 -10.475 405 1HE LYS 50 2HE LYS 50 -13.123 -13.158 -12.326 406 2HE LYS 50 1HE LYS 50 -14.358 -12.107 -13.046 407 1HZ LYS 50 1HZ LYS 50 -12.126 -11.751 -14.008 408 2HZ LYS 50 2HZ LYS 50 -11.561 -11.277 -12.478 409 3HZ LYS 50 3HZ LYS 50 -12.750 -10.358 -13.270 410 H VAL 51 H VAL 51 -12.036 -11.429 -7.734 411 HA VAL 51 HA VAL 51 -11.171 -8.682 -8.223 412 HB VAL 51 HB VAL 51 -9.853 -11.336 -7.630 413 1HG1 VAL 51 1HG1 VAL 51 -7.758 -9.915 -7.292 414 2HG1 VAL 51 2HG1 VAL 51 -8.583 -8.647 -8.199 415 3HG1 VAL 51 3HG1 VAL 51 -8.227 -10.194 -8.968 416 1HG2 VAL 51 1HG2 VAL 51 -9.189 -9.466 -5.693 417 2HG2 VAL 51 2HG2 VAL 51 -10.484 -10.656 -5.557 418 3HG2 VAL 51 3HG2 VAL 51 -10.843 -9.022 -6.117 419 H VAL 52 H VAL 52 -10.870 -7.904 -10.257 420 HA VAL 52 HA VAL 52 -10.278 -9.826 -12.473 421 HB VAL 52 HB VAL 52 -12.302 -8.524 -12.728 422 1HG1 VAL 52 1HG1 VAL 52 -12.033 -6.746 -11.207 423 2HG1 VAL 52 2HG1 VAL 52 -12.008 -5.954 -12.779 424 3HG1 VAL 52 3HG1 VAL 52 -10.499 -6.248 -11.914 425 1HG2 VAL 52 1HG2 VAL 52 -10.354 -8.582 -14.597 426 2HG2 VAL 52 2HG2 VAL 52 -10.503 -6.837 -14.378 427 3HG2 VAL 52 3HG2 VAL 52 -11.912 -7.792 -14.858 428 H LYS 53 H LYS 53 -8.871 -7.386 -10.529 429 HA LYS 53 HA LYS 53 -6.324 -7.543 -11.899 430 1HB LYS 53 2HB LYS 53 -8.328 -5.544 -12.682 431 2HB LYS 53 1HB LYS 53 -6.772 -4.829 -12.255 432 1HG LYS 53 2HG LYS 53 -5.955 -6.953 -13.752 433 2HG LYS 53 1HG LYS 53 -7.487 -6.564 -14.540 434 1HD LYS 53 2HD LYS 53 -6.800 -4.320 -14.987 435 2HD LYS 53 1HD LYS 53 -5.410 -4.458 -13.909 436 1HE LYS 53 2HE LYS 53 -4.491 -6.248 -15.441 437 2HE LYS 53 1HE LYS 53 -5.801 -5.859 -16.574 438 1HZ LYS 53 1HZ LYS 53 -3.549 -4.187 -15.698 439 2HZ LYS 53 2HZ LYS 53 -5.016 -3.433 -16.106 440 3HZ LYS 53 3HZ LYS 53 -4.199 -4.384 -17.252 441 H VAL 54 H VAL 54 -4.906 -7.277 -10.218 442 HA VAL 54 HA VAL 54 -5.654 -5.329 -8.068 443 HB VAL 54 HB VAL 54 -5.005 -8.177 -8.039 444 1HG1 VAL 54 1HG1 VAL 54 -2.750 -7.215 -7.394 445 2HG1 VAL 54 2HG1 VAL 54 -3.498 -8.215 -6.150 446 3HG1 VAL 54 3HG1 VAL 54 -3.544 -6.456 -6.012 447 1HG2 VAL 54 1HG2 VAL 54 -6.275 -8.125 -6.072 448 2HG2 VAL 54 2HG2 VAL 54 -6.923 -6.753 -6.970 449 3HG2 VAL 54 3HG2 VAL 54 -5.759 -6.487 -5.669 450 H ASN 55 H ASN 55 -4.130 -3.761 -7.697 451 HA ASN 55 HA ASN 55 -1.344 -4.258 -8.670 452 1HB ASN 55 2HB ASN 55 -3.351 -2.258 -9.435 453 2HB ASN 55 1HB ASN 55 -1.809 -1.538 -8.970 454 1HD2 ASN 55 1HD2 ASN 55 -1.859 -1.030 -11.451 455 2HD2 ASN 55 2HD2 ASN 55 -1.186 -2.205 -12.475 456 H THR 56 H THR 56 -0.073 -4.211 -6.868 457 HA THR 56 HA THR 56 -0.802 -2.281 -4.700 458 HB THR 56 HB THR 56 -0.740 -4.137 -3.397 459 HG1 THR 56 1HG THR 56 1.966 -4.344 -4.200 460 1HG2 THR 56 1HG2 THR 56 0.051 -6.347 -4.251 461 2HG2 THR 56 2HG2 THR 56 0.556 -5.554 -5.739 462 3HG2 THR 56 3HG2 THR 56 -1.151 -5.589 -5.294 463 H LEU 57 H LEU 57 0.861 -0.964 -3.856 464 HA LEU 57 HA LEU 57 3.480 -1.066 -5.322 465 1HB LEU 57 2HB LEU 57 3.361 1.321 -5.530 466 2HB LEU 57 1HB LEU 57 1.768 0.720 -5.985 467 HG LEU 57 HG LEU 57 1.413 1.011 -3.313 468 1HD1 LEU 57 1HD1 LEU 57 3.696 2.723 -4.127 469 2HD1 LEU 57 2HD1 LEU 57 3.273 2.093 -2.535 470 3HD1 LEU 57 3HD1 LEU 57 2.446 3.517 -3.169 471 1HD2 LEU 57 1HD2 LEU 57 0.188 3.038 -3.866 472 2HD2 LEU 57 2HD2 LEU 57 0.030 1.908 -5.212 473 3HD2 LEU 57 3HD2 LEU 57 1.149 3.266 -5.326 474 H HIS 58 H HIS 58 5.316 -0.339 -4.074 475 HA HIS 58 HA HIS 58 5.258 -0.987 -1.268 476 1HB HIS 58 2HB HIS 58 7.147 -0.818 -3.174 477 2HB HIS 58 1HB HIS 58 7.371 0.773 -2.444 478 HD1 HIS 58 1HD HIS 58 9.387 -1.716 -2.192 479 HD2 HIS 58 2HD HIS 58 6.669 -0.447 0.704 480 HE1 HIS 58 1HE HIS 58 10.255 -2.569 0.029 481 H VAL 59 H VAL 59 4.338 0.307 0.279 482 HA VAL 59 HA VAL 59 4.168 3.245 -0.242 483 HB VAL 59 HB VAL 59 2.739 2.341 2.107 484 1HG1 VAL 59 1HG1 VAL 59 1.660 3.198 -0.582 485 2HG1 VAL 59 2HG1 VAL 59 2.314 4.327 0.608 486 3HG1 VAL 59 3HG1 VAL 59 0.885 3.366 0.995 487 1HG2 VAL 59 1HG2 VAL 59 1.054 0.949 0.693 488 2HG2 VAL 59 2HG2 VAL 59 2.507 0.141 1.276 489 3HG2 VAL 59 3HG2 VAL 59 2.414 0.686 -0.398 490 H ARG 60 H ARG 60 5.644 4.499 0.801 491 HA ARG 60 HA ARG 60 6.650 3.581 3.474 492 1HB ARG 60 2HB ARG 60 8.294 5.041 1.397 493 2HB ARG 60 1HB ARG 60 8.865 4.129 2.794 494 1HG ARG 60 2HG ARG 60 7.574 3.019 0.288 495 2HG ARG 60 1HG ARG 60 9.230 2.759 0.841 496 1HD ARG 60 2HD ARG 60 7.511 1.996 2.985 497 2HD ARG 60 1HD ARG 60 6.895 1.231 1.507 498 HE ARG 60 HE ARG 60 9.400 0.604 1.130 499 1HH1 ARG 60 1HH2 ARG 60 10.315 1.724 3.754 500 2HH1 ARG 60 2HH2 ARG 60 10.299 0.323 4.773 501 1HH2 ARG 60 1HH1 ARG 60 8.313 -1.540 2.626 502 2HH2 ARG 60 2HH1 ARG 60 9.165 -1.525 4.134 503 H GLY 61 H GLY 61 6.151 5.108 4.990 504 1HA GLY 61 2HA GLY 61 5.485 7.177 5.895 505 2HA GLY 61 1HA GLY 61 6.829 7.808 4.943 506 H LYS 62 H LYS 62 5.098 9.667 4.973 507 HA LYS 62 HA LYS 62 3.332 9.324 2.568 508 1HB LYS 62 2HB LYS 62 2.880 10.245 5.305 509 2HB LYS 62 1HB LYS 62 2.349 11.433 4.113 510 1HG LYS 62 2HG LYS 62 1.579 8.786 3.259 511 2HG LYS 62 1HG LYS 62 0.996 9.077 4.898 512 1HD LYS 62 2HD LYS 62 0.362 11.452 3.800 513 2HD LYS 62 1HD LYS 62 0.261 10.441 2.357 514 1HE LYS 62 2HE LYS 62 -1.926 10.573 3.563 515 2HE LYS 62 1HE LYS 62 -1.295 8.914 3.530 516 1HZ LYS 62 1HZ LYS 62 -0.748 8.970 5.711 517 2HZ LYS 62 2HZ LYS 62 -1.998 10.117 5.781 518 3HZ LYS 62 3HZ LYS 62 -0.380 10.625 5.702 519 H LYS 63 H LYS 63 5.595 11.391 4.319 520 HA LYS 63 HA LYS 63 6.210 12.858 1.844 521 1HB LYS 63 2HB LYS 63 4.155 13.934 2.768 522 2HB LYS 63 1HB LYS 63 5.026 14.251 4.268 523 1HG LYS 63 2HG LYS 63 5.167 16.262 2.972 524 2HG LYS 63 1HG LYS 63 6.749 15.491 2.866 525 1HD LYS 63 2HD LYS 63 6.036 14.444 0.705 526 2HD LYS 63 1HD LYS 63 4.539 15.372 0.795 527 1HE LYS 63 2HE LYS 63 5.604 17.129 -0.155 528 2HE LYS 63 1HE LYS 63 6.710 17.186 1.232 529 1HZ LYS 63 1HZ LYS 63 7.888 15.259 0.165 530 2HZ LYS 63 2HZ LYS 63 8.043 16.739 -0.653 531 3HZ LYS 63 3HZ LYS 63 6.972 15.554 -1.231 532 H LYS 64 H LYS 64 8.159 11.506 2.790 533 HA LYS 64 HA LYS 64 10.278 11.530 3.842 534 1HB LYS 64 2HB LYS 64 9.490 14.331 3.191 535 2HB LYS 64 1HB LYS 64 10.897 14.124 4.232 536 1HG LYS 64 2HG LYS 64 11.772 12.459 2.514 537 2HG LYS 64 1HG LYS 64 10.483 13.016 1.448 538 1HD LYS 64 2HD LYS 64 11.449 15.079 1.124 539 2HD LYS 64 1HD LYS 64 12.172 15.108 2.733 540 1HE LYS 64 2HE LYS 64 13.410 12.944 1.420 541 2HE LYS 64 1HE LYS 64 13.372 14.263 0.234 542 1HZ LYS 64 1HZ LYS 64 14.066 14.816 3.044 543 2HZ LYS 64 2HZ LYS 64 14.475 15.695 1.648 544 3HZ LYS 64 3HZ LYS 64 15.252 14.223 1.988 545 H ARG 65 H ARG 65 11.421 12.351 5.918 546 HA ARG 65 HA ARG 65 9.395 12.786 8.090 547 1HB ARG 65 2HB ARG 65 10.600 11.172 9.406 548 2HB ARG 65 1HB ARG 65 10.381 10.451 7.811 549 1HG ARG 65 2HG ARG 65 12.770 11.959 7.670 550 2HG ARG 65 1HG ARG 65 12.841 11.062 9.189 551 1HD ARG 65 2HD ARG 65 11.936 9.084 7.604 552 2HD ARG 65 1HD ARG 65 12.815 10.033 6.389 553 HE ARG 65 HE ARG 65 14.581 9.981 8.492 554 1HH1 ARG 65 1HH2 ARG 65 13.608 7.959 6.004 555 2HH1 ARG 65 2HH2 ARG 65 14.383 6.536 6.615 556 1HH2 ARG 65 1HH1 ARG 65 15.227 7.979 9.653 557 2HH2 ARG 65 2HH1 ARG 65 15.300 6.547 8.681 558 H LEU 66 H LEU 66 12.212 13.921 6.560 559 HA LEU 66 HA LEU 66 13.902 15.454 7.227 560 1HB LEU 66 2HB LEU 66 11.198 16.327 7.771 561 2HB LEU 66 1HB LEU 66 12.311 17.068 8.921 562 HG LEU 66 HG LEU 66 12.084 18.446 6.880 563 1HD1 LEU 66 1HD1 LEU 66 14.456 18.733 6.453 564 2HD1 LEU 66 2HD1 LEU 66 14.797 17.097 7.017 565 3HD1 LEU 66 3HD1 LEU 66 14.246 18.326 8.156 566 1HD2 LEU 66 1HD2 LEU 66 11.575 16.729 5.247 567 2HD2 LEU 66 2HD2 LEU 66 13.120 15.930 5.540 568 3HD2 LEU 66 3HD2 LEU 66 13.078 17.510 4.757 569 H GLY 67 H GLY 67 14.229 13.221 8.766 570 1HA GLY 67 2HA GLY 67 14.836 12.408 10.894 571 2HA GLY 67 1HA GLY 67 15.712 13.936 10.961 572 H ARG 68 H ARG 68 12.216 13.319 10.975 573 HA ARG 68 HA ARG 68 12.023 14.153 13.801 574 1HB ARG 68 2HB ARG 68 11.189 16.250 13.369 575 2HB ARG 68 1HB ARG 68 12.092 16.050 11.871 576 1HG ARG 68 2HG ARG 68 10.027 15.142 10.794 577 2HG ARG 68 1HG ARG 68 9.140 15.493 12.277 578 1HD ARG 68 2HD ARG 68 10.697 17.797 11.352 579 2HD ARG 68 1HD ARG 68 9.483 17.271 10.170 580 HE ARG 68 HE ARG 68 7.850 17.285 12.150 581 1HH1 ARG 68 1HH2 ARG 68 10.569 18.282 13.603 582 2HH1 ARG 68 2HH2 ARG 68 10.044 19.882 14.008 583 1HH2 ARG 68 1HH1 ARG 68 7.220 19.751 12.002 584 2HH2 ARG 68 2HH1 ARG 68 8.148 20.714 13.101 585 H TYR 69 H TYR 69 9.431 14.386 14.219 586 HA TYR 69 HA TYR 69 8.292 11.806 13.293 587 1HB TYR 69 2HB TYR 69 8.294 12.288 15.669 588 2HB TYR 69 1HB TYR 69 7.534 13.856 15.397 589 HD1 TYR 69 1HD TYR 69 6.839 10.410 14.081 590 HD2 TYR 69 2HD TYR 69 5.343 13.835 16.197 591 HE1 TYR 69 1HE TYR 69 4.601 9.351 14.213 592 HE2 TYR 69 2HE TYR 69 3.104 12.776 16.328 593 HH TYR 69 HH TYR 69 1.852 10.936 14.834 594 H LEU 70 H LEU 70 7.628 12.357 11.131 595 HA LEU 70 HA LEU 70 5.173 14.033 11.027 596 1HB LEU 70 2HB LEU 70 7.519 15.151 10.439 597 2HB LEU 70 1HB LEU 70 7.236 14.349 8.895 598 HG LEU 70 HG LEU 70 4.877 15.414 9.005 599 1HD1 LEU 70 1HD1 LEU 70 6.341 17.306 10.863 600 2HD1 LEU 70 2HD1 LEU 70 5.196 16.090 11.428 601 3HD1 LEU 70 3HD1 LEU 70 4.651 17.387 10.365 602 1HD2 LEU 70 1HD2 LEU 70 7.499 16.677 8.371 603 2HD2 LEU 70 2HD2 LEU 70 6.098 17.748 8.409 604 3HD2 LEU 70 3HD2 LEU 70 6.120 16.363 7.318 605 H GLY 71 H GLY 71 5.511 11.227 10.907 606 1HA GLY 71 2HA GLY 71 3.899 10.016 9.306 607 2HA GLY 71 1HA GLY 71 4.953 10.632 8.033 608 H LYS 72 H LYS 72 7.434 10.240 9.393 609 HA LYS 72 HA LYS 72 9.048 8.549 9.762 610 1HB LYS 72 2HB LYS 72 6.519 7.696 10.968 611 2HB LYS 72 1HB LYS 72 7.533 6.331 10.503 612 1HG LYS 72 2HG LYS 72 9.306 7.012 11.886 613 2HG LYS 72 1HG LYS 72 8.712 8.669 11.987 614 1HD LYS 72 2HD LYS 72 7.295 8.189 13.697 615 2HD LYS 72 1HD LYS 72 6.822 6.642 12.993 616 1HE LYS 72 2HE LYS 72 8.814 5.561 13.836 617 2HE LYS 72 1HE LYS 72 9.495 7.115 14.354 618 1HZ LYS 72 1HZ LYS 72 7.837 7.395 15.955 619 2HZ LYS 72 2HZ LYS 72 8.264 5.757 16.103 620 3HZ LYS 72 3HZ LYS 72 6.842 6.197 15.282 621 H ARG 73 H ARG 73 9.314 6.002 9.090 622 HA ARG 73 HA ARG 73 8.008 5.579 6.436 623 1HB ARG 73 2HB ARG 73 10.305 6.795 6.436 624 2HB ARG 73 1HB ARG 73 10.973 5.221 6.873 625 1HG ARG 73 2HG ARG 73 9.405 4.455 4.825 626 2HG ARG 73 1HG ARG 73 9.740 6.110 4.314 627 1HD ARG 73 2HD ARG 73 12.241 5.344 5.054 628 2HD ARG 73 1HD ARG 73 11.584 3.792 4.496 629 HE ARG 73 HE ARG 73 11.047 4.875 2.342 630 1HH1 ARG 73 1HH1 ARG 73 11.296 7.659 3.811 631 2HH1 ARG 73 2HH1 ARG 73 12.670 8.294 2.967 632 1HH2 ARG 73 1HH2 ARG 73 13.556 5.246 1.572 633 2HH2 ARG 73 2HH2 ARG 73 13.949 6.927 1.700 634 HA PRO 74 HA PRO 74 8.290 1.711 8.940 635 1HB PRO 74 2HB PRO 74 5.665 1.022 8.701 636 2HB PRO 74 1HB PRO 74 6.260 2.102 9.975 637 1HG PRO 74 2HG PRO 74 4.827 2.749 7.466 638 2HG PRO 74 1HG PRO 74 4.739 3.530 9.050 639 1HD PRO 74 2HD PRO 74 6.148 4.505 6.880 640 2HD PRO 74 1HD PRO 74 6.455 4.945 8.574 641 H ASP 75 H ASP 75 6.839 -0.441 8.043 642 HA ASP 75 HA ASP 75 7.596 -0.624 5.158 643 1HB ASP 75 2HB ASP 75 7.649 -2.559 7.483 644 2HB ASP 75 1HB ASP 75 7.757 -3.119 5.814 645 H ARG 76 H ARG 76 5.486 0.053 4.489 646 HA ARG 76 HA ARG 76 3.325 -1.964 5.005 647 1HB ARG 76 2HB ARG 76 1.748 -0.121 4.934 648 2HB ARG 76 1HB ARG 76 3.035 0.315 6.053 649 1HG ARG 76 2HG ARG 76 3.526 1.093 3.248 650 2HG ARG 76 1HG ARG 76 2.179 1.920 4.023 651 1HD ARG 76 2HD ARG 76 4.831 1.665 5.445 652 2HD ARG 76 1HD ARG 76 4.536 2.981 4.290 653 HE ARG 76 HE ARG 76 2.986 2.523 6.796 654 1HH1 ARG 76 1HH2 ARG 76 2.796 3.989 3.756 655 2HH1 ARG 76 2HH2 ARG 76 2.352 5.553 4.354 656 1HH2 ARG 76 1HH1 ARG 76 2.817 4.702 7.684 657 2HH2 ARG 76 2HH1 ARG 76 2.364 5.957 6.578 658 H LYS 77 H LYS 77 1.991 -2.482 3.187 659 HA LYS 77 HA LYS 77 3.054 -1.561 0.536 660 1HB LYS 77 2HB LYS 77 3.664 -3.892 1.180 661 2HB LYS 77 1HB LYS 77 1.953 -4.278 1.339 662 1HG LYS 77 2HG LYS 77 1.565 -3.877 -1.005 663 2HG LYS 77 1HG LYS 77 3.190 -3.222 -1.214 664 1HD LYS 77 2HD LYS 77 4.144 -5.284 -1.319 665 2HD LYS 77 1HD LYS 77 3.108 -5.931 -0.047 666 1HE LYS 77 2HE LYS 77 1.219 -5.746 -1.882 667 2HE LYS 77 1HE LYS 77 2.594 -5.779 -3.004 668 1HZ LYS 77 1HZ LYS 77 2.368 -8.002 -2.672 669 2HZ LYS 77 2HZ LYS 77 1.679 -7.826 -1.129 670 3HZ LYS 77 3HZ LYS 77 3.357 -7.662 -1.337 671 H LYS 78 H LYS 78 1.477 -0.849 -0.907 672 HA LYS 78 HA LYS 78 -1.334 -0.811 0.091 673 1HB LYS 78 2HB LYS 78 0.475 0.945 -1.350 674 2HB LYS 78 1HB LYS 78 -1.034 0.742 -2.240 675 1HG LYS 78 2HG LYS 78 -2.192 1.162 0.043 676 2HG LYS 78 1HG LYS 78 -0.629 1.805 0.551 677 1HD LYS 78 2HD LYS 78 -0.663 3.371 -1.370 678 2HD LYS 78 1HD LYS 78 -2.250 2.754 -1.830 679 1HE LYS 78 2HE LYS 78 -3.321 3.858 -0.117 680 2HE LYS 78 1HE LYS 78 -1.949 3.668 0.995 681 1HZ LYS 78 1HZ LYS 78 -2.483 5.956 -0.242 682 2HZ LYS 78 2HZ LYS 78 -1.469 5.245 -1.403 683 3HZ LYS 78 3HZ LYS 78 -0.910 5.486 0.184 684 H ALA 79 H ALA 79 -3.051 -1.616 -1.248 685 HA ALA 79 HA ALA 79 -2.196 -3.073 -3.722 686 1HB ALA 79 1HB ALA 79 -2.975 -5.030 -2.886 687 2HB ALA 79 2HB ALA 79 -4.367 -4.240 -2.130 688 3HB ALA 79 3HB ALA 79 -2.797 -4.230 -1.320 689 H ILE 80 H ILE 80 -3.342 -2.367 -5.426 690 HA ILE 80 HA ILE 80 -6.010 -1.131 -4.971 691 HB ILE 80 HB ILE 80 -3.953 -1.146 -7.183 692 1HG1 ILE 80 2HG1 ILE 80 -3.980 1.258 -6.781 693 2HG1 ILE 80 1HG1 ILE 80 -5.298 1.086 -5.631 694 1HG2 ILE 80 1HG2 ILE 80 -5.832 0.581 -8.093 695 2HG2 ILE 80 2HG2 ILE 80 -6.872 -0.615 -7.317 696 3HG2 ILE 80 3HG2 ILE 80 -5.759 -1.109 -8.593 697 1HD1 ILE 80 1HD1 ILE 80 -3.921 -0.063 -4.074 698 2HD1 ILE 80 2HD1 ILE 80 -2.938 1.284 -4.647 699 3HD1 ILE 80 3HD1 ILE 80 -2.661 -0.341 -5.275 700 H VAL 81 H VAL 81 -7.614 -2.639 -5.059 701 HA VAL 81 HA VAL 81 -7.334 -4.930 -6.963 702 HB VAL 81 HB VAL 81 -9.378 -4.647 -4.763 703 1HG1 VAL 81 1HG1 VAL 81 -8.806 -6.609 -6.644 704 2HG1 VAL 81 2HG1 VAL 81 -9.748 -6.837 -5.171 705 3HG1 VAL 81 3HG1 VAL 81 -8.023 -7.203 -5.181 706 1HG2 VAL 81 1HG2 VAL 81 -6.477 -4.729 -4.461 707 2HG2 VAL 81 2HG2 VAL 81 -7.247 -6.129 -3.713 708 3HG2 VAL 81 3HG2 VAL 81 -7.720 -4.499 -3.229 709 H GLN 82 H GLN 82 -8.537 -4.783 -8.830 710 HA GLN 82 HA GLN 82 -10.905 -2.959 -8.833 711 1HB GLN 82 2HB GLN 82 -9.352 -2.420 -10.532 712 2HB GLN 82 1HB GLN 82 -9.041 -4.105 -10.916 713 1HG GLN 82 2HG GLN 82 -10.466 -3.073 -12.640 714 2HG GLN 82 1HG GLN 82 -11.357 -4.320 -11.767 715 1HE2 GLN 82 1HE2 GLN 82 -10.941 -0.780 -12.038 716 2HE2 GLN 82 2HE2 GLN 82 -12.429 -0.387 -11.322 717 H VAL 83 H VAL 83 -12.948 -3.835 -9.362 718 HA VAL 83 HA VAL 83 -12.940 -6.796 -9.590 719 HB VAL 83 HB VAL 83 -14.931 -6.841 -8.387 720 1HG1 VAL 83 1HG1 VAL 83 -13.758 -4.253 -7.344 721 2HG1 VAL 83 2HG1 VAL 83 -12.991 -5.820 -7.081 722 3HG1 VAL 83 3HG1 VAL 83 -14.600 -5.505 -6.430 723 1HG2 VAL 83 1HG2 VAL 83 -16.469 -4.934 -8.191 724 2HG2 VAL 83 2HG2 VAL 83 -16.142 -5.301 -9.889 725 3HG2 VAL 83 3HG2 VAL 83 -15.348 -3.925 -9.110 726 H ALA 84 H ALA 84 -14.513 -7.738 -11.032 727 HA ALA 84 HA ALA 84 -14.655 -6.400 -13.600 728 1HB ALA 84 1HB ALA 84 -15.149 -8.969 -12.351 729 2HB ALA 84 2HB ALA 84 -14.686 -8.607 -14.019 730 3HB ALA 84 3HB ALA 84 -16.388 -8.586 -13.546 731 HA PRO 85 HA PRO 85 -18.654 -4.630 -13.496 732 1HB PRO 85 2HB PRO 85 -19.917 -5.636 -15.709 733 2HB PRO 85 1HB PRO 85 -18.602 -4.461 -15.801 734 1HG PRO 85 2HG PRO 85 -18.546 -7.363 -16.251 735 2HG PRO 85 1HG PRO 85 -17.658 -6.083 -17.071 736 1HD PRO 85 2HD PRO 85 -16.567 -7.718 -15.158 737 2HD PRO 85 1HD PRO 85 -15.972 -6.094 -15.528 738 H GLY 86 H GLY 86 -20.635 -5.015 -12.513 739 1HA GLY 86 2HA GLY 86 -22.624 -6.428 -12.173 740 2HA GLY 86 1HA GLY 86 -21.589 -7.841 -12.381 741 H GLN 87 H GLN 87 -19.437 -6.669 -10.699 742 HA GLN 87 HA GLN 87 -20.741 -7.121 -8.037 743 1HB GLN 87 2HB GLN 87 -18.333 -7.787 -7.448 744 2HB GLN 87 1HB GLN 87 -19.182 -8.852 -8.567 745 1HG GLN 87 2HG GLN 87 -17.755 -6.615 -9.856 746 2HG GLN 87 1HG GLN 87 -16.708 -7.777 -9.040 747 1HE2 GLN 87 1HE2 GLN 87 -17.768 -10.217 -9.482 748 2HE2 GLN 87 2HE2 GLN 87 -17.995 -10.530 -11.135 749 H LYS 88 H LYS 88 -19.282 -6.080 -6.229 750 HA LYS 88 HA LYS 88 -17.726 -3.737 -6.769 751 1HB LYS 88 2HB LYS 88 -20.557 -3.520 -7.147 752 2HB LYS 88 1HB LYS 88 -20.116 -2.553 -5.739 753 1HG LYS 88 2HG LYS 88 -18.728 -2.397 -8.431 754 2HG LYS 88 1HG LYS 88 -19.966 -1.268 -7.877 755 1HD LYS 88 2HD LYS 88 -18.150 -1.379 -5.760 756 2HD LYS 88 1HD LYS 88 -17.134 -1.374 -7.201 757 1HE LYS 88 2HE LYS 88 -17.451 0.924 -6.884 758 2HE LYS 88 1HE LYS 88 -18.816 0.556 -7.958 759 1HZ LYS 88 1HZ LYS 88 -19.945 -0.089 -5.708 760 2HZ LYS 88 2HZ LYS 88 -19.912 1.531 -6.216 761 3HZ LYS 88 3HZ LYS 88 -18.803 0.980 -5.052 762 H ILE 89 H ILE 89 -16.505 -3.842 -4.908 763 HA ILE 89 HA ILE 89 -17.454 -4.966 -2.426 764 HB ILE 89 HB ILE 89 -15.097 -3.168 -3.092 765 1HG1 ILE 89 2HG1 ILE 89 -15.410 -6.187 -2.985 766 2HG1 ILE 89 1HG1 ILE 89 -15.101 -5.218 -4.426 767 1HG2 ILE 89 1HG2 ILE 89 -15.997 -4.529 -0.619 768 2HG2 ILE 89 2HG2 ILE 89 -14.955 -3.120 -0.813 769 3HG2 ILE 89 3HG2 ILE 89 -14.294 -4.740 -1.025 770 1HD1 ILE 89 1HD1 ILE 89 -12.902 -5.531 -4.032 771 2HD1 ILE 89 2HD1 ILE 89 -13.219 -6.204 -2.433 772 3HD1 ILE 89 3HD1 ILE 89 -13.086 -4.457 -2.644 773 H GLU 90 H GLU 90 -19.463 -3.329 -2.798 774 HA GLU 90 HA GLU 90 -19.301 -0.589 -2.106 775 1HB GLU 90 2HB GLU 90 -21.696 -0.886 -1.597 776 2HB GLU 90 1HB GLU 90 -21.254 -1.783 -3.051 777 1HG GLU 90 2HG GLU 90 -20.922 -3.816 -1.570 778 2HG GLU 90 1HG GLU 90 -21.656 -2.887 -0.261 779 H ALA 91 H ALA 91 -18.711 -3.333 -0.120 780 HA ALA 91 HA ALA 91 -19.659 -2.567 2.416 781 1HB ALA 91 1HB ALA 91 -18.697 -4.658 2.397 782 2HB ALA 91 2HB ALA 91 -17.306 -3.757 3.000 783 3HB ALA 91 3HB ALA 91 -17.416 -4.169 1.288 784 H LEU 92 H LEU 92 -17.230 -1.030 0.485 785 HA LEU 92 HA LEU 92 -16.172 0.453 2.863 786 1HB LEU 92 2HB LEU 92 -15.011 0.853 0.157 787 2HB LEU 92 1HB LEU 92 -14.195 0.607 1.698 788 HG LEU 92 HG LEU 92 -15.499 -1.517 -0.020 789 1HD1 LEU 92 1HD1 LEU 92 -13.317 -0.878 -0.854 790 2HD1 LEU 92 2HD1 LEU 92 -13.141 -2.419 -0.014 791 3HD1 LEU 92 3HD1 LEU 92 -12.632 -0.924 0.771 792 1HD2 LEU 92 1HD2 LEU 92 -14.854 -1.413 2.834 793 2HD2 LEU 92 2HD2 LEU 92 -14.063 -2.754 2.009 794 3HD2 LEU 92 3HD2 LEU 92 -15.818 -2.594 1.948 795 H GLU 93 H GLU 93 -18.049 0.756 -0.054 796 HA GLU 93 HA GLU 93 -17.838 3.494 -0.639 797 1HB GLU 93 2HB GLU 93 -19.907 1.350 -0.874 798 2HB GLU 93 1HB GLU 93 -20.417 3.007 -1.196 799 1HG GLU 93 2HG GLU 93 -17.882 2.019 -2.451 800 2HG GLU 93 1HG GLU 93 -19.424 1.512 -3.143 801 H GLY 94 H GLY 94 -19.239 1.957 2.142 802 1HA GLY 94 2HA GLY 94 -20.650 4.472 2.899 803 2HA GLY 94 1HA GLY 94 -20.926 2.894 3.639 804 H LEU 95 H LEU 95 -17.860 2.556 3.608 805 HA LEU 95 HA LEU 95 -17.260 3.046 6.275 806 1HB LEU 95 2HB LEU 95 -15.950 1.907 4.341 807 2HB LEU 95 1HB LEU 95 -15.259 3.505 4.063 808 HG LEU 95 HG LEU 95 -14.445 3.585 6.372 809 1HD1 LEU 95 1HD1 LEU 95 -15.760 2.401 7.812 810 2HD1 LEU 95 2HD1 LEU 95 -14.653 1.082 7.432 811 3HD1 LEU 95 3HD1 LEU 95 -16.197 1.209 6.589 812 1HD2 LEU 95 1HD2 LEU 95 -12.697 1.958 6.164 813 2HD2 LEU 95 2HD2 LEU 95 -13.136 2.415 4.519 814 3HD2 LEU 95 3HD2 LEU 95 -13.715 0.892 5.194 815 H ILE 96 H ILE 96 -17.463 5.383 3.678 816 HA ILE 96 HA ILE 96 -15.903 7.516 4.661 817 HB ILE 96 HB ILE 96 -18.536 7.372 3.172 818 1HG1 ILE 96 2HG1 ILE 96 -16.516 8.385 1.545 819 2HG1 ILE 96 1HG1 ILE 96 -15.696 7.155 2.507 820 1HG2 ILE 96 1HG2 ILE 96 -16.745 9.784 3.597 821 2HG2 ILE 96 2HG2 ILE 96 -18.345 9.564 4.306 822 3HG2 ILE 96 3HG2 ILE 96 -18.170 9.728 2.559 823 1HD1 ILE 96 1HD1 ILE 96 -17.216 5.453 1.805 824 2HD1 ILE 96 2HD1 ILE 96 -16.780 6.336 0.342 825 3HD1 ILE 96 3HD1 ILE 96 -18.333 6.635 1.122 Start of MODEL 4 1 1H MET 1 1HT MET 1 -4.388 -17.433 7.430 2 2H MET 1 2HT MET 1 -4.406 -18.897 6.568 3 3H MET 1 3HT MET 1 -5.094 -18.813 8.119 4 HA MET 1 HA MET 1 -6.667 -18.758 6.088 5 1HB MET 1 2HB MET 1 -7.994 -16.975 7.445 6 2HB MET 1 1HB MET 1 -7.514 -18.455 8.283 7 1HG MET 1 2HG MET 1 -5.455 -17.234 9.082 8 2HG MET 1 1HG MET 1 -6.132 -15.759 8.390 9 1HE MET 1 1HE MET 1 -7.542 -14.112 10.624 10 2HE MET 1 2HE MET 1 -9.036 -14.790 9.985 11 3HE MET 1 3HE MET 1 -7.656 -14.555 8.915 12 H LYS 2 H LYS 2 -5.096 -17.730 4.315 13 HA LYS 2 HA LYS 2 -4.824 -14.897 4.224 14 1HB LYS 2 2HB LYS 2 -4.398 -15.265 1.814 15 2HB LYS 2 1HB LYS 2 -3.537 -16.436 2.802 16 1HG LYS 2 2HG LYS 2 -5.870 -17.769 2.454 17 2HG LYS 2 1HG LYS 2 -5.817 -16.850 0.948 18 1HD LYS 2 2HD LYS 2 -3.230 -18.031 1.652 19 2HD LYS 2 1HD LYS 2 -4.495 -19.238 1.414 20 1HE LYS 2 2HE LYS 2 -4.729 -17.236 -0.645 21 2HE LYS 2 1HE LYS 2 -3.062 -17.846 -0.604 22 1HZ LYS 2 1HZ LYS 2 -3.724 -19.984 -0.974 23 2HZ LYS 2 2HZ LYS 2 -4.941 -19.174 -1.840 24 3HZ LYS 2 3HZ LYS 2 -5.254 -19.762 -0.277 25 H THR 3 H THR 3 -6.813 -14.069 4.916 26 HA THR 3 HA THR 3 -8.978 -14.143 2.837 27 HB THR 3 HB THR 3 -10.453 -13.992 4.982 28 HG1 THR 3 1HG THR 3 -9.423 -14.188 6.780 29 1HG2 THR 3 1HG2 THR 3 -10.727 -16.319 4.939 30 2HG2 THR 3 2HG2 THR 3 -9.004 -16.608 4.691 31 3HG2 THR 3 3HG2 THR 3 -9.995 -15.996 3.369 32 H ALA 4 H ALA 4 -7.121 -12.353 5.100 33 HA ALA 4 HA ALA 4 -7.766 -9.780 4.043 34 1HB ALA 4 1HB ALA 4 -9.065 -9.194 6.282 35 2HB ALA 4 2HB ALA 4 -9.385 -10.931 6.283 36 3HB ALA 4 3HB ALA 4 -9.908 -9.936 4.920 37 H TYR 5 H TYR 5 -6.659 -11.780 6.663 38 HA TYR 5 HA TYR 5 -5.301 -10.211 8.477 39 1HB TYR 5 2HB TYR 5 -4.025 -12.230 8.777 40 2HB TYR 5 1HB TYR 5 -5.598 -12.742 8.166 41 HD1 TYR 5 1HD TYR 5 -4.989 -11.642 5.236 42 HD2 TYR 5 2HD TYR 5 -2.873 -14.242 7.933 43 HE1 TYR 5 1HE TYR 5 -3.864 -12.686 3.314 44 HE2 TYR 5 2HE TYR 5 -1.733 -15.293 5.995 45 HH TYR 5 HH TYR 5 -1.547 -13.973 3.029 46 H ASP 6 H ASP 6 -2.578 -11.402 7.708 47 HA ASP 6 HA ASP 6 -0.841 -9.501 7.113 48 1HB ASP 6 2HB ASP 6 -0.401 -11.922 7.070 49 2HB ASP 6 1HB ASP 6 -1.240 -12.060 5.517 50 H VAL 7 H VAL 7 -2.572 -11.043 4.416 51 HA VAL 7 HA VAL 7 -1.817 -9.087 2.456 52 HB VAL 7 HB VAL 7 -4.115 -11.056 2.492 53 1HG1 VAL 7 1HG1 VAL 7 -2.955 -9.225 0.512 54 2HG1 VAL 7 2HG1 VAL 7 -4.523 -10.038 0.512 55 3HG1 VAL 7 3HG1 VAL 7 -3.087 -10.893 -0.054 56 1HG2 VAL 7 1HG2 VAL 7 -1.340 -11.440 1.381 57 2HG2 VAL 7 2HG2 VAL 7 -2.601 -12.658 1.592 58 3HG2 VAL 7 3HG2 VAL 7 -1.790 -11.971 3.001 59 H ILE 8 H ILE 8 -3.209 -7.615 1.390 60 HA ILE 8 HA ILE 8 -4.543 -5.606 1.701 61 HB ILE 8 HB ILE 8 -6.533 -7.890 1.786 62 1HG1 ILE 8 2HG1 ILE 8 -5.214 -6.823 -0.714 63 2HG1 ILE 8 1HG1 ILE 8 -4.541 -8.194 0.163 64 1HG2 ILE 8 1HG2 ILE 8 -7.831 -6.401 0.324 65 2HG2 ILE 8 2HG2 ILE 8 -6.513 -5.226 0.316 66 3HG2 ILE 8 3HG2 ILE 8 -7.405 -5.547 1.806 67 1HD1 ILE 8 1HD1 ILE 8 -7.399 -8.513 -0.160 68 2HD1 ILE 8 2HD1 ILE 8 -6.101 -9.583 -0.683 69 3HD1 ILE 8 3HD1 ILE 8 -6.628 -8.263 -1.725 70 H LEU 9 H LEU 9 -3.605 -6.032 4.276 71 HA LEU 9 HA LEU 9 -5.262 -6.744 6.366 72 1HB LEU 9 2HB LEU 9 -3.507 -4.280 6.126 73 2HB LEU 9 1HB LEU 9 -4.034 -5.006 7.644 74 HG LEU 9 HG LEU 9 -2.780 -6.883 5.737 75 1HD1 LEU 9 1HD1 LEU 9 -0.587 -6.084 5.869 76 2HD1 LEU 9 2HD1 LEU 9 -0.940 -5.059 7.261 77 3HD1 LEU 9 3HD1 LEU 9 -1.500 -4.590 5.656 78 1HD2 LEU 9 1HD2 LEU 9 -3.511 -7.325 8.139 79 2HD2 LEU 9 2HD2 LEU 9 -2.169 -6.298 8.645 80 3HD2 LEU 9 3HD2 LEU 9 -1.853 -7.788 7.758 81 H ALA 10 H ALA 10 -5.061 -3.285 6.433 82 HA ALA 10 HA ALA 10 -8.033 -3.154 6.528 83 1HB ALA 10 1HB ALA 10 -6.382 -0.785 7.157 84 2HB ALA 10 2HB ALA 10 -6.037 -2.204 8.145 85 3HB ALA 10 3HB ALA 10 -7.669 -1.538 8.098 86 HA PRO 11 HA PRO 11 -8.210 -1.022 2.687 87 1HB PRO 11 2HB PRO 11 -10.581 0.295 3.025 88 2HB PRO 11 1HB PRO 11 -10.483 -1.454 2.738 89 1HG PRO 11 2HG PRO 11 -10.956 0.027 5.266 90 2HG PRO 11 1HG PRO 11 -11.609 -1.526 4.725 91 1HD PRO 11 2HD PRO 11 -9.551 -1.233 6.537 92 2HD PRO 11 1HD PRO 11 -9.856 -2.695 5.576 93 H VAL 12 H VAL 12 -7.939 1.125 1.809 94 HA VAL 12 HA VAL 12 -7.325 3.217 3.872 95 HB VAL 12 HB VAL 12 -5.325 2.569 2.770 96 1HG1 VAL 12 1HG1 VAL 12 -5.440 2.663 0.113 97 2HG1 VAL 12 2HG1 VAL 12 -7.140 2.302 0.410 98 3HG1 VAL 12 3HG1 VAL 12 -5.890 1.202 0.992 99 1HG2 VAL 12 1HG2 VAL 12 -4.637 4.592 1.916 100 2HG2 VAL 12 2HG2 VAL 12 -6.193 5.112 2.564 101 3HG2 VAL 12 3HG2 VAL 12 -6.034 4.732 0.849 102 H LEU 13 H LEU 13 -9.167 4.505 3.886 103 HA LEU 13 HA LEU 13 -10.396 5.257 1.274 104 1HB LEU 13 2HB LEU 13 -11.269 5.518 4.170 105 2HB LEU 13 1HB LEU 13 -12.233 6.047 2.792 106 HG LEU 13 HG LEU 13 -13.038 3.868 3.307 107 1HD1 LEU 13 1HD1 LEU 13 -12.589 2.652 1.310 108 2HD1 LEU 13 2HD1 LEU 13 -10.963 3.323 1.176 109 3HD1 LEU 13 3HD1 LEU 13 -12.367 4.347 0.873 110 1HD2 LEU 13 1HD2 LEU 13 -11.772 2.171 4.173 111 2HD2 LEU 13 2HD2 LEU 13 -10.650 3.481 4.544 112 3HD2 LEU 13 3HD2 LEU 13 -10.413 2.501 3.097 113 H SER 14 H SER 14 -9.297 7.032 0.460 114 HA SER 14 HA SER 14 -9.045 9.410 2.262 115 1HB SER 14 2HB SER 14 -6.962 8.975 0.197 116 2HB SER 14 1HB SER 14 -6.795 9.557 1.851 117 HG SER 14 HG SER 14 -6.721 6.984 0.834 118 H GLU 15 H GLU 15 -8.354 11.360 0.664 119 HA GLU 15 HA GLU 15 -10.557 11.922 -1.026 120 1HB GLU 15 2HB GLU 15 -7.709 12.975 -1.064 121 2HB GLU 15 1HB GLU 15 -9.102 13.784 -1.784 122 1HG GLU 15 2HG GLU 15 -9.878 14.509 0.228 123 2HG GLU 15 1HG GLU 15 -9.468 12.996 1.036 124 H LYS 16 H LYS 16 -7.208 11.436 -2.209 125 HA LYS 16 HA LYS 16 -7.849 11.012 -4.909 126 1HB LYS 16 2HB LYS 16 -5.613 10.998 -3.230 127 2HB LYS 16 1HB LYS 16 -5.620 9.390 -3.958 128 1HG LYS 16 2HG LYS 16 -5.545 10.268 -6.162 129 2HG LYS 16 1HG LYS 16 -5.996 11.885 -5.619 130 1HD LYS 16 2HD LYS 16 -3.858 12.426 -5.111 131 2HD LYS 16 1HD LYS 16 -3.569 10.877 -4.318 132 1HE LYS 16 2HE LYS 16 -3.751 11.039 -7.329 133 2HE LYS 16 1HE LYS 16 -2.224 11.374 -6.488 134 1HZ LYS 16 1HZ LYS 16 -3.018 8.912 -7.111 135 2HZ LYS 16 2HZ LYS 16 -3.718 9.054 -5.570 136 3HZ LYS 16 3HZ LYS 16 -2.043 9.257 -5.766 137 H ALA 17 H ALA 17 -7.472 8.585 -2.307 138 HA ALA 17 HA ALA 17 -7.880 6.238 -3.831 139 1HB ALA 17 1HB ALA 17 -9.104 5.814 -1.364 140 2HB ALA 17 2HB ALA 17 -7.985 7.141 -1.048 141 3HB ALA 17 3HB ALA 17 -7.384 5.618 -1.704 142 H TYR 18 H TYR 18 -10.308 8.240 -2.117 143 HA TYR 18 HA TYR 18 -12.609 6.750 -2.832 144 1HB TYR 18 2HB TYR 18 -11.935 9.534 -2.005 145 2HB TYR 18 1HB TYR 18 -13.550 9.267 -2.663 146 HD1 TYR 18 1HD TYR 18 -12.259 9.748 0.327 147 HD2 TYR 18 2HD TYR 18 -14.116 6.516 -1.799 148 HE1 TYR 18 1HE TYR 18 -12.972 8.743 2.481 149 HE2 TYR 18 2HE TYR 18 -14.827 5.502 0.353 150 HH TYR 18 HH TYR 18 -14.729 7.193 3.293 151 H ALA 19 H ALA 19 -10.789 9.182 -4.637 152 HA ALA 19 HA ALA 19 -12.777 9.185 -6.822 153 1HB ALA 19 1HB ALA 19 -11.693 11.126 -7.459 154 2HB ALA 19 2HB ALA 19 -10.102 10.492 -7.040 155 3HB ALA 19 3HB ALA 19 -11.177 11.084 -5.773 156 H GLY 20 H GLY 20 -10.105 7.343 -5.877 157 1HA GLY 20 2HA GLY 20 -9.419 6.575 -8.678 158 2HA GLY 20 1HA GLY 20 -8.424 6.229 -7.261 159 H PHE 21 H PHE 21 -10.523 5.339 -5.565 160 HA PHE 21 HA PHE 21 -10.762 2.589 -6.470 161 1HB PHE 21 2HB PHE 21 -11.130 2.286 -4.229 162 2HB PHE 21 1HB PHE 21 -10.706 3.984 -4.079 163 HD1 PHE 21 1HD PHE 21 -12.671 5.685 -4.483 164 HD2 PHE 21 2HD PHE 21 -13.208 1.551 -3.463 165 HE1 PHE 21 1HE PHE 21 -14.962 6.183 -3.679 166 HE2 PHE 21 2HE PHE 21 -15.500 2.047 -2.657 167 HZ PHE 21 HZ PHE 21 -16.379 4.364 -2.765 168 H ALA 22 H ALA 22 -12.627 5.460 -6.754 169 HA ALA 22 HA ALA 22 -15.269 4.543 -6.898 170 1HB ALA 22 1HB ALA 22 -15.661 6.639 -7.906 171 2HB ALA 22 2HB ALA 22 -14.100 6.625 -8.729 172 3HB ALA 22 3HB ALA 22 -14.177 6.893 -6.986 173 H GLU 23 H GLU 23 -12.632 4.036 -9.092 174 HA GLU 23 HA GLU 23 -14.355 3.337 -11.388 175 1HB GLU 23 2HB GLU 23 -11.822 4.350 -11.042 176 2HB GLU 23 1HB GLU 23 -11.482 2.656 -11.385 177 1HG GLU 23 2HG GLU 23 -12.540 2.741 -13.491 178 2HG GLU 23 1HG GLU 23 -13.414 4.220 -13.091 179 H GLY 24 H GLY 24 -14.096 1.780 -8.660 180 1HA GLY 24 2HA GLY 24 -14.664 -0.518 -8.311 181 2HA GLY 24 1HA GLY 24 -14.043 -0.868 -9.920 182 H LYS 25 H LYS 25 -11.868 1.173 -8.563 183 HA LYS 25 HA LYS 25 -9.919 -0.959 -8.066 184 1HB LYS 25 2HB LYS 25 -9.961 2.069 -8.074 185 2HB LYS 25 1HB LYS 25 -8.505 1.169 -7.655 186 1HG LYS 25 2HG LYS 25 -8.287 0.271 -9.804 187 2HG LYS 25 1HG LYS 25 -9.992 0.508 -10.182 188 1HD LYS 25 2HD LYS 25 -9.588 2.990 -10.118 189 2HD LYS 25 1HD LYS 25 -7.865 2.653 -9.947 190 1HE LYS 25 2HE LYS 25 -8.181 1.177 -12.085 191 2HE LYS 25 1HE LYS 25 -9.656 2.137 -12.315 192 1HZ LYS 25 1HZ LYS 25 -8.110 4.106 -11.750 193 2HZ LYS 25 2HZ LYS 25 -8.060 3.451 -13.317 194 3HZ LYS 25 3HZ LYS 25 -6.857 3.052 -12.187 195 H TYR 26 H TYR 26 -9.077 -1.486 -5.979 196 HA TYR 26 HA TYR 26 -10.349 -0.045 -3.678 197 1HB TYR 26 2HB TYR 26 -9.840 -3.004 -4.063 198 2HB TYR 26 1HB TYR 26 -10.457 -2.284 -2.579 199 HD1 TYR 26 1HD TYR 26 -12.170 -0.119 -3.916 200 HD2 TYR 26 2HD TYR 26 -11.763 -4.333 -4.639 201 HE1 TYR 26 1HE TYR 26 -14.470 -0.182 -4.834 202 HE2 TYR 26 2HE TYR 26 -14.066 -4.395 -5.556 203 HH TYR 26 HH TYR 26 -15.793 -3.141 -6.268 204 H THR 27 H THR 27 -8.561 1.161 -3.070 205 HA THR 27 HA THR 27 -5.875 0.104 -2.914 206 HB THR 27 HB THR 27 -6.948 2.522 -1.468 207 HG1 THR 27 1HG THR 27 -6.423 3.493 -3.656 208 1HG2 THR 27 1HG2 THR 27 -4.480 1.663 -1.485 209 2HG2 THR 27 2HG2 THR 27 -4.787 3.378 -1.752 210 3HG2 THR 27 3HG2 THR 27 -4.444 2.320 -3.121 211 H PHE 28 H PHE 28 -5.101 -1.111 -1.238 212 HA PHE 28 HA PHE 28 -6.558 -0.993 1.379 213 1HB PHE 28 2HB PHE 28 -6.412 -3.066 -0.545 214 2HB PHE 28 1HB PHE 28 -5.411 -3.576 0.816 215 HD1 PHE 28 1HD PHE 28 -6.412 -3.309 3.185 216 HD2 PHE 28 2HD PHE 28 -8.748 -3.250 -0.421 217 HE1 PHE 28 1HE PHE 28 -8.453 -3.821 4.500 218 HE2 PHE 28 2HE PHE 28 -10.790 -3.763 0.895 219 HZ PHE 28 HZ PHE 28 -10.640 -4.046 3.356 220 H TRP 29 H TRP 29 -5.215 -1.865 3.184 221 HA TRP 29 HA TRP 29 -2.352 -1.100 2.874 222 1HB TRP 29 2HB TRP 29 -4.323 -1.355 5.163 223 2HB TRP 29 1HB TRP 29 -2.589 -1.267 5.468 224 HD1 TRP 29 HD TRP 29 -5.451 0.908 5.275 225 HE1 TRP 29 1HE TRP 29 -4.777 3.344 4.770 226 HE3 TRP 29 3HE TRP 29 -0.645 0.186 3.709 227 HZ2 TRP 29 2HZ TRP 29 -2.499 4.796 3.825 228 HZ3 TRP 29 3HZ TRP 29 0.753 2.109 3.013 229 HH2 TRP 29 HH TRP 29 -0.167 4.411 3.069 230 H VAL 30 H VAL 30 -0.984 -2.865 2.660 231 HA VAL 30 HA VAL 30 -1.864 -5.399 3.946 232 HB VAL 30 HB VAL 30 -2.701 -5.537 1.750 233 1HG1 VAL 30 1HG1 VAL 30 -1.179 -5.011 -0.231 234 2HG1 VAL 30 2HG1 VAL 30 -0.078 -4.270 0.930 235 3HG1 VAL 30 3HG1 VAL 30 -1.701 -3.617 0.715 236 1HG2 VAL 30 1HG2 VAL 30 0.037 -6.720 1.484 237 2HG2 VAL 30 2HG2 VAL 30 -1.477 -7.295 0.785 238 3HG2 VAL 30 3HG2 VAL 30 -1.210 -7.400 2.523 239 H HIS 31 H HIS 31 -0.146 -7.028 3.983 240 HA HIS 31 HA HIS 31 2.333 -6.036 5.009 241 1HB HIS 31 2HB HIS 31 0.899 -8.320 5.128 242 2HB HIS 31 1HB HIS 31 2.095 -8.802 3.924 243 HD1 HIS 31 1HD HIS 31 2.605 -6.559 6.961 244 HD2 HIS 31 2HD HIS 31 3.913 -10.226 5.471 245 HE1 HIS 31 1HE HIS 31 4.420 -7.365 8.534 246 HA PRO 32 HA PRO 32 4.657 -5.562 1.286 247 1HB PRO 32 2HB PRO 32 7.172 -5.882 2.306 248 2HB PRO 32 1HB PRO 32 6.203 -4.424 2.579 249 1HG PRO 32 2HG PRO 32 6.682 -6.734 4.387 250 2HG PRO 32 1HG PRO 32 6.580 -5.007 4.765 251 1HD PRO 32 2HD PRO 32 4.542 -6.768 5.200 252 2HD PRO 32 1HD PRO 32 4.296 -5.036 4.891 253 H LYS 33 H LYS 33 3.582 -7.862 0.905 254 HA LYS 33 HA LYS 33 5.576 -9.637 -0.152 255 1HB LYS 33 2HB LYS 33 5.049 -11.469 1.611 256 2HB LYS 33 1HB LYS 33 6.138 -10.167 2.093 257 1HG LYS 33 2HG LYS 33 4.737 -9.623 3.769 258 2HG LYS 33 1HG LYS 33 3.464 -9.291 2.601 259 1HD LYS 33 2HD LYS 33 2.586 -10.978 4.042 260 2HD LYS 33 1HD LYS 33 3.040 -11.812 2.555 261 1HE LYS 33 2HE LYS 33 5.333 -11.723 4.292 262 2HE LYS 33 1HE LYS 33 3.950 -12.385 5.186 263 1HZ LYS 33 1HZ LYS 33 3.524 -13.932 3.454 264 2HZ LYS 33 2HZ LYS 33 5.179 -14.052 3.813 265 3HZ LYS 33 3HZ LYS 33 4.666 -13.214 2.427 266 H ALA 34 H ALA 34 2.307 -9.210 1.125 267 HA ALA 34 HA ALA 34 0.851 -11.358 0.214 268 1HB ALA 34 1HB ALA 34 -0.738 -9.302 -0.561 269 2HB ALA 34 2HB ALA 34 0.454 -8.417 0.390 270 3HB ALA 34 3HB ALA 34 -0.473 -9.721 1.130 271 H THR 35 H THR 35 1.820 -12.321 -1.684 272 HA THR 35 HA THR 35 2.624 -11.164 -4.072 273 HB THR 35 HB THR 35 1.401 -13.405 -4.960 274 HG1 THR 35 1HG THR 35 0.881 -14.718 -3.352 275 1HG2 THR 35 1HG2 THR 35 3.556 -14.038 -5.002 276 2HG2 THR 35 2HG2 THR 35 3.554 -14.246 -3.250 277 3HG2 THR 35 3HG2 THR 35 3.947 -12.676 -3.950 278 H LYS 36 H LYS 36 1.593 -10.318 -5.901 279 HA LYS 36 HA LYS 36 -0.795 -8.934 -5.805 280 1HB LYS 36 2HB LYS 36 0.728 -10.350 -7.976 281 2HB LYS 36 1HB LYS 36 -0.804 -9.571 -8.374 282 1HG LYS 36 2HG LYS 36 0.787 -7.817 -6.721 283 2HG LYS 36 1HG LYS 36 1.722 -8.332 -8.125 284 1HD LYS 36 2HD LYS 36 0.267 -7.348 -9.632 285 2HD LYS 36 1HD LYS 36 -1.120 -7.503 -8.552 286 1HE LYS 36 2HE LYS 36 -0.773 -5.431 -7.699 287 2HE LYS 36 1HE LYS 36 0.944 -5.776 -7.408 288 1HZ LYS 36 1HZ LYS 36 0.130 -4.089 -9.285 289 2HZ LYS 36 2HZ LYS 36 0.110 -5.529 -10.188 290 3HZ LYS 36 3HZ LYS 36 1.544 -5.013 -9.436 291 H THR 37 H THR 37 -0.374 -12.383 -6.569 292 HA THR 37 HA THR 37 -3.168 -12.866 -7.146 293 HB THR 37 HB THR 37 -0.713 -14.458 -6.622 294 HG1 THR 37 1HG THR 37 -0.779 -14.651 -8.708 295 1HG2 THR 37 1HG2 THR 37 -1.935 -16.172 -5.804 296 2HG2 THR 37 2HG2 THR 37 -2.608 -16.316 -7.428 297 3HG2 THR 37 3HG2 THR 37 -3.451 -15.364 -6.206 298 H GLU 38 H GLU 38 -1.116 -13.111 -4.263 299 HA GLU 38 HA GLU 38 -2.939 -14.470 -2.548 300 1HB GLU 38 2HB GLU 38 -0.508 -12.832 -2.395 301 2HB GLU 38 1HB GLU 38 -1.536 -12.656 -0.972 302 1HG GLU 38 2HG GLU 38 -1.172 -15.430 -1.955 303 2HG GLU 38 1HG GLU 38 0.261 -14.669 -1.264 304 H ILE 39 H ILE 39 -2.513 -10.998 -3.240 305 HA ILE 39 HA ILE 39 -4.457 -9.959 -1.449 306 HB ILE 39 HB ILE 39 -3.297 -9.160 -4.118 307 1HG1 ILE 39 2HG1 ILE 39 -3.156 -7.620 -1.543 308 2HG1 ILE 39 1HG1 ILE 39 -2.166 -9.066 -1.739 309 1HG2 ILE 39 1HG2 ILE 39 -5.695 -8.322 -3.894 310 2HG2 ILE 39 2HG2 ILE 39 -4.468 -7.071 -4.080 311 3HG2 ILE 39 3HG2 ILE 39 -5.150 -7.406 -2.489 312 1HD1 ILE 39 1HD1 ILE 39 -1.465 -6.541 -2.602 313 2HD1 ILE 39 2HD1 ILE 39 -2.099 -7.284 -4.071 314 3HD1 ILE 39 3HD1 ILE 39 -0.767 -8.047 -3.201 315 H LYS 40 H LYS 40 -4.730 -11.531 -4.572 316 HA LYS 40 HA LYS 40 -7.445 -10.856 -5.206 317 1HB LYS 40 2HB LYS 40 -5.603 -11.878 -6.648 318 2HB LYS 40 1HB LYS 40 -5.924 -13.402 -5.827 319 1HG LYS 40 2HG LYS 40 -7.899 -13.734 -6.904 320 2HG LYS 40 1HG LYS 40 -8.314 -12.020 -6.888 321 1HD LYS 40 2HD LYS 40 -6.782 -11.582 -8.727 322 2HD LYS 40 1HD LYS 40 -6.206 -13.247 -8.688 323 1HE LYS 40 2HE LYS 40 -8.868 -13.700 -8.963 324 2HE LYS 40 1HE LYS 40 -8.721 -12.157 -9.828 325 1HZ LYS 40 1HZ LYS 40 -7.096 -14.606 -10.263 326 2HZ LYS 40 2HZ LYS 40 -6.761 -13.102 -10.979 327 3HZ LYS 40 3HZ LYS 40 -8.204 -13.918 -11.348 328 H ASN 41 H ASN 41 -6.004 -13.643 -3.519 329 HA ASN 41 HA ASN 41 -8.498 -15.000 -3.034 330 1HB ASN 41 2HB ASN 41 -5.637 -15.183 -2.261 331 2HB ASN 41 1HB ASN 41 -6.785 -16.007 -1.204 332 1HD2 ASN 41 1HD2 ASN 41 -4.968 -16.410 -4.028 333 2HD2 ASN 41 2HD2 ASN 41 -5.835 -17.704 -4.703 334 H ALA 42 H ALA 42 -6.403 -13.053 -0.825 335 HA ALA 42 HA ALA 42 -8.001 -13.328 1.491 336 1HB ALA 42 1HB ALA 42 -6.780 -11.381 2.270 337 2HB ALA 42 2HB ALA 42 -6.448 -10.876 0.613 338 3HB ALA 42 3HB ALA 42 -5.686 -12.332 1.257 339 H VAL 43 H VAL 43 -8.135 -10.673 -0.920 340 HA VAL 43 HA VAL 43 -10.321 -9.276 0.236 341 HB VAL 43 HB VAL 43 -8.662 -9.229 -2.090 342 1HG1 VAL 43 1HG1 VAL 43 -10.404 -8.313 -3.715 343 2HG1 VAL 43 2HG1 VAL 43 -11.626 -9.066 -2.688 344 3HG1 VAL 43 3HG1 VAL 43 -10.415 -10.064 -3.494 345 1HG2 VAL 43 1HG2 VAL 43 -9.741 -7.478 -0.259 346 2HG2 VAL 43 2HG2 VAL 43 -10.558 -7.015 -1.751 347 3HG2 VAL 43 3HG2 VAL 43 -8.797 -7.010 -1.671 348 H GLU 44 H GLU 44 -10.287 -11.938 -2.140 349 HA GLU 44 HA GLU 44 -13.105 -11.966 -2.665 350 1HB GLU 44 2HB GLU 44 -10.721 -13.402 -3.330 351 2HB GLU 44 1HB GLU 44 -11.951 -14.576 -2.861 352 1HG GLU 44 2HG GLU 44 -12.632 -12.326 -4.745 353 2HG GLU 44 1HG GLU 44 -11.872 -13.800 -5.346 354 H THR 45 H THR 45 -11.164 -13.380 -0.071 355 HA THR 45 HA THR 45 -13.097 -15.274 0.891 356 HB THR 45 HB THR 45 -11.654 -15.331 2.825 357 HG1 THR 45 1HG THR 45 -11.377 -13.291 3.432 358 1HG2 THR 45 1HG2 THR 45 -9.418 -14.646 1.178 359 2HG2 THR 45 2HG2 THR 45 -10.658 -15.362 0.151 360 3HG2 THR 45 3HG2 THR 45 -10.049 -16.251 1.545 361 H ALA 46 H ALA 46 -12.394 -11.912 1.919 362 HA ALA 46 HA ALA 46 -14.681 -11.931 3.777 363 1HB ALA 46 1HB ALA 46 -12.583 -10.850 4.374 364 2HB ALA 46 2HB ALA 46 -13.831 -9.613 4.218 365 3HB ALA 46 3HB ALA 46 -12.652 -9.844 2.926 366 H PHE 47 H PHE 47 -13.745 -9.844 1.000 367 HA PHE 47 HA PHE 47 -16.355 -8.614 0.814 368 1HB PHE 47 2HB PHE 47 -14.163 -8.837 -1.266 369 2HB PHE 47 1HB PHE 47 -15.376 -7.562 -1.135 370 HD1 PHE 47 1HD PHE 47 -15.292 -7.468 1.966 371 HD2 PHE 47 2HD PHE 47 -12.240 -7.360 -1.050 372 HE1 PHE 47 1HE PHE 47 -13.811 -6.220 3.513 373 HE2 PHE 47 2HE PHE 47 -10.757 -6.108 0.496 374 HZ PHE 47 HZ PHE 47 -11.544 -5.543 2.777 375 H LYS 48 H LYS 48 -15.005 -11.558 -0.443 376 HA LYS 48 HA LYS 48 -15.871 -13.160 -1.948 377 1HB LYS 48 2HB LYS 48 -18.409 -11.950 -0.799 378 2HB LYS 48 1HB LYS 48 -18.283 -13.543 -1.549 379 1HG LYS 48 2HG LYS 48 -16.801 -14.324 0.187 380 2HG LYS 48 1HG LYS 48 -16.661 -12.702 0.867 381 1HD LYS 48 2HD LYS 48 -19.278 -14.216 0.670 382 2HD LYS 48 1HD LYS 48 -18.261 -14.202 2.112 383 1HE LYS 48 2HE LYS 48 -18.391 -11.561 1.762 384 2HE LYS 48 1HE LYS 48 -19.903 -11.991 0.937 385 1HZ LYS 48 1HZ LYS 48 -20.087 -11.686 3.413 386 2HZ LYS 48 2HZ LYS 48 -19.143 -13.087 3.586 387 3HZ LYS 48 3HZ LYS 48 -20.658 -13.169 2.823 388 H VAL 49 H VAL 49 -15.217 -10.680 -3.133 389 HA VAL 49 HA VAL 49 -17.439 -10.176 -5.054 390 HB VAL 49 HB VAL 49 -15.843 -8.519 -3.582 391 1HG1 VAL 49 1HG1 VAL 49 -14.683 -8.114 -6.301 392 2HG1 VAL 49 2HG1 VAL 49 -13.964 -9.350 -5.268 393 3HG1 VAL 49 3HG1 VAL 49 -14.030 -7.675 -4.723 394 1HG2 VAL 49 1HG2 VAL 49 -17.807 -7.708 -4.577 395 2HG2 VAL 49 2HG2 VAL 49 -17.257 -8.122 -6.201 396 3HG2 VAL 49 3HG2 VAL 49 -16.520 -6.772 -5.337 397 H LYS 50 H LYS 50 -15.853 -9.253 -7.182 398 HA LYS 50 HA LYS 50 -14.477 -11.781 -8.023 399 1HB LYS 50 2HB LYS 50 -16.679 -10.841 -9.126 400 2HB LYS 50 1HB LYS 50 -15.572 -9.722 -9.927 401 1HG LYS 50 2HG LYS 50 -15.128 -12.714 -9.909 402 2HG LYS 50 1HG LYS 50 -16.034 -11.895 -11.185 403 1HD LYS 50 2HD LYS 50 -13.971 -10.347 -11.380 404 2HD LYS 50 1HD LYS 50 -13.125 -11.584 -10.449 405 1HE LYS 50 2HE LYS 50 -14.723 -12.391 -12.875 406 2HE LYS 50 1HE LYS 50 -13.078 -11.749 -13.067 407 1HZ LYS 50 1HZ LYS 50 -13.913 -14.035 -11.363 408 2HZ LYS 50 2HZ LYS 50 -12.361 -13.343 -11.333 409 3HZ LYS 50 3HZ LYS 50 -12.929 -14.104 -12.742 410 H VAL 51 H VAL 51 -12.293 -11.442 -7.902 411 HA VAL 51 HA VAL 51 -11.127 -8.773 -8.105 412 HB VAL 51 HB VAL 51 -10.067 -11.605 -7.926 413 1HG1 VAL 51 1HG1 VAL 51 -8.640 -8.974 -8.261 414 2HG1 VAL 51 2HG1 VAL 51 -8.289 -10.529 -9.015 415 3HG1 VAL 51 3HG1 VAL 51 -7.892 -10.262 -7.317 416 1HG2 VAL 51 1HG2 VAL 51 -11.020 -9.637 -6.053 417 2HG2 VAL 51 2HG2 VAL 51 -9.300 -9.911 -5.768 418 3HG2 VAL 51 3HG2 VAL 51 -10.427 -11.266 -5.724 419 H VAL 52 H VAL 52 -10.796 -7.800 -10.032 420 HA VAL 52 HA VAL 52 -10.437 -9.490 -12.461 421 HB VAL 52 HB VAL 52 -11.632 -6.824 -11.866 422 1HG1 VAL 52 1HG1 VAL 52 -12.177 -6.872 -14.384 423 2HG1 VAL 52 2HG1 VAL 52 -10.820 -7.996 -14.505 424 3HG1 VAL 52 3HG1 VAL 52 -10.557 -6.360 -13.900 425 1HG2 VAL 52 1HG2 VAL 52 -12.604 -9.478 -12.877 426 2HG2 VAL 52 2HG2 VAL 52 -13.553 -8.011 -13.106 427 3HG2 VAL 52 3HG2 VAL 52 -13.163 -8.566 -11.475 428 H LYS 53 H LYS 53 -8.926 -7.223 -10.394 429 HA LYS 53 HA LYS 53 -6.408 -7.327 -11.758 430 1HB LYS 53 2HB LYS 53 -8.392 -5.415 -12.686 431 2HB LYS 53 1HB LYS 53 -6.935 -4.595 -12.120 432 1HG LYS 53 2HG LYS 53 -5.832 -6.647 -13.525 433 2HG LYS 53 1HG LYS 53 -7.307 -6.379 -14.453 434 1HD LYS 53 2HD LYS 53 -6.253 -3.816 -13.839 435 2HD LYS 53 1HD LYS 53 -4.905 -4.797 -14.416 436 1HE LYS 53 2HE LYS 53 -6.206 -5.417 -16.428 437 2HE LYS 53 1HE LYS 53 -7.559 -4.422 -15.853 438 1HZ LYS 53 1HZ LYS 53 -6.090 -3.185 -17.364 439 2HZ LYS 53 2HZ LYS 53 -4.788 -3.440 -16.302 440 3HZ LYS 53 3HZ LYS 53 -6.117 -2.503 -15.811 441 H VAL 54 H VAL 54 -5.163 -7.223 -9.937 442 HA VAL 54 HA VAL 54 -5.884 -5.206 -7.846 443 HB VAL 54 HB VAL 54 -5.152 -8.029 -7.835 444 1HG1 VAL 54 1HG1 VAL 54 -3.600 -6.194 -5.979 445 2HG1 VAL 54 2HG1 VAL 54 -2.901 -7.192 -7.256 446 3HG1 VAL 54 3HG1 VAL 54 -3.663 -7.953 -5.858 447 1HG2 VAL 54 1HG2 VAL 54 -6.292 -7.994 -5.760 448 2HG2 VAL 54 2HG2 VAL 54 -7.091 -6.749 -6.719 449 3HG2 VAL 54 3HG2 VAL 54 -5.913 -6.294 -5.487 450 H ASN 55 H ASN 55 -4.417 -3.581 -7.496 451 HA ASN 55 HA ASN 55 -1.630 -3.975 -8.510 452 1HB ASN 55 2HB ASN 55 -3.495 -1.599 -8.791 453 2HB ASN 55 1HB ASN 55 -1.782 -1.552 -9.210 454 1HD2 ASN 55 1HD2 ASN 55 -1.082 -2.739 -11.113 455 2HD2 ASN 55 2HD2 ASN 55 -2.193 -3.371 -12.230 456 H THR 56 H THR 56 -0.328 -3.893 -6.740 457 HA THR 56 HA THR 56 -1.078 -2.006 -4.543 458 HB THR 56 HB THR 56 -0.904 -3.856 -3.242 459 HG1 THR 56 1HG THR 56 1.199 -3.027 -2.942 460 1HG2 THR 56 1HG2 THR 56 -0.065 -6.040 -4.132 461 2HG2 THR 56 2HG2 THR 56 0.342 -5.225 -5.641 462 3HG2 THR 56 3HG2 THR 56 -1.341 -5.322 -5.117 463 H LEU 57 H LEU 57 0.789 -0.960 -3.451 464 HA LEU 57 HA LEU 57 3.265 -0.842 -5.117 465 1HB LEU 57 2HB LEU 57 3.081 1.551 -5.277 466 2HB LEU 57 1HB LEU 57 1.506 0.901 -5.729 467 HG LEU 57 HG LEU 57 1.274 1.149 -2.993 468 1HD1 LEU 57 1HD1 LEU 57 3.548 2.556 -3.499 469 2HD1 LEU 57 2HD1 LEU 57 2.432 2.947 -2.190 470 3HD1 LEU 57 3HD1 LEU 57 2.335 3.818 -3.721 471 1HD2 LEU 57 1HD2 LEU 57 0.567 3.091 -5.213 472 2HD2 LEU 57 2HD2 LEU 57 -0.078 3.198 -3.576 473 3HD2 LEU 57 3HD2 LEU 57 -0.444 1.794 -4.578 474 H HIS 58 H HIS 58 5.027 0.368 -3.922 475 HA HIS 58 HA HIS 58 5.169 -0.519 -1.145 476 1HB HIS 58 2HB HIS 58 7.055 -0.499 -2.785 477 2HB HIS 58 1HB HIS 58 6.992 1.263 -2.796 478 HD1 HIS 58 1HD HIS 58 9.533 -0.187 -1.796 479 HD2 HIS 58 2HD HIS 58 6.437 1.050 0.709 480 HE1 HIS 58 1HE HIS 58 10.532 0.040 0.520 481 H VAL 59 H VAL 59 4.250 0.652 0.490 482 HA VAL 59 HA VAL 59 4.148 3.639 0.211 483 HB VAL 59 HB VAL 59 2.286 2.692 2.148 484 1HG1 VAL 59 1HG1 VAL 59 2.206 3.987 -0.549 485 2HG1 VAL 59 2HG1 VAL 59 1.701 4.627 1.015 486 3HG1 VAL 59 3HG1 VAL 59 0.695 3.443 0.179 487 1HG2 VAL 59 1HG2 VAL 59 2.265 0.486 1.223 488 2HG2 VAL 59 2HG2 VAL 59 2.286 1.102 -0.429 489 3HG2 VAL 59 3HG2 VAL 59 0.844 1.296 0.566 490 H ARG 60 H ARG 60 5.216 4.764 1.799 491 HA ARG 60 HA ARG 60 5.675 3.466 4.442 492 1HB ARG 60 2HB ARG 60 7.821 4.632 2.636 493 2HB ARG 60 1HB ARG 60 8.088 4.008 4.263 494 1HG ARG 60 2HG ARG 60 6.986 2.384 1.951 495 2HG ARG 60 1HG ARG 60 8.658 2.337 2.508 496 1HD ARG 60 2HD ARG 60 8.012 1.439 4.648 497 2HD ARG 60 1HD ARG 60 6.293 1.721 4.312 498 HE ARG 60 HE ARG 60 6.437 0.008 2.534 499 1HH1 ARG 60 1HH1 ARG 60 9.577 0.579 3.548 500 2HH1 ARG 60 2HH1 ARG 60 10.019 -1.088 3.714 501 1HH2 ARG 60 1HH2 ARG 60 6.792 -2.265 3.235 502 2HH2 ARG 60 2HH2 ARG 60 8.442 -2.698 3.536 503 H GLY 61 H GLY 61 5.573 4.963 6.102 504 1HA GLY 61 2HA GLY 61 4.508 7.531 5.753 505 2HA GLY 61 1HA GLY 61 5.435 7.051 7.176 506 H LYS 62 H LYS 62 5.905 9.545 6.708 507 HA LYS 62 HA LYS 62 8.548 9.610 5.312 508 1HB LYS 62 2HB LYS 62 7.893 11.592 4.121 509 2HB LYS 62 1HB LYS 62 6.573 10.440 3.916 510 1HG LYS 62 2HG LYS 62 6.016 11.813 6.315 511 2HG LYS 62 1HG LYS 62 6.525 13.048 5.164 512 1HD LYS 62 2HD LYS 62 4.394 10.952 4.650 513 2HD LYS 62 1HD LYS 62 4.086 12.646 5.032 514 1HE LYS 62 2HE LYS 62 5.015 13.397 2.975 515 2HE LYS 62 1HE LYS 62 5.807 11.837 2.673 516 1HZ LYS 62 1HZ LYS 62 2.966 12.547 2.464 517 2HZ LYS 62 2HZ LYS 62 3.372 10.964 2.928 518 3HZ LYS 62 3HZ LYS 62 3.910 11.580 1.439 519 H LYS 63 H LYS 63 8.301 9.395 8.073 520 HA LYS 63 HA LYS 63 9.318 12.047 8.956 521 1HB LYS 63 2HB LYS 63 6.966 12.170 9.450 522 2HB LYS 63 1HB LYS 63 6.957 10.529 10.099 523 1HG LYS 63 2HG LYS 63 7.576 11.260 12.137 524 2HG LYS 63 1HG LYS 63 8.937 12.154 11.458 525 1HD LYS 63 2HD LYS 63 7.672 14.102 11.148 526 2HD LYS 63 1HD LYS 63 6.140 13.227 11.179 527 1HE LYS 63 2HE LYS 63 6.041 14.001 13.340 528 2HE LYS 63 1HE LYS 63 7.135 12.644 13.672 529 1HZ LYS 63 1HZ LYS 63 8.309 14.482 14.448 530 2HZ LYS 63 2HZ LYS 63 7.813 15.474 13.161 531 3HZ LYS 63 3HZ LYS 63 8.955 14.244 12.898 532 H LYS 64 H LYS 64 8.250 9.521 11.140 533 HA LYS 64 HA LYS 64 10.516 9.242 12.672 534 1HB LYS 64 2HB LYS 64 8.102 7.911 12.271 535 2HB LYS 64 1HB LYS 64 9.316 6.656 12.018 536 1HG LYS 64 2HG LYS 64 10.260 8.025 14.245 537 2HG LYS 64 1HG LYS 64 8.514 7.985 14.496 538 1HD LYS 64 2HD LYS 64 9.281 5.963 15.458 539 2HD LYS 64 1HD LYS 64 8.670 5.484 13.874 540 1HE LYS 64 2HE LYS 64 10.763 4.969 13.082 541 2HE LYS 64 1HE LYS 64 11.532 6.299 13.971 542 1HZ LYS 64 1HZ LYS 64 12.193 4.480 15.197 543 2HZ LYS 64 2HZ LYS 64 10.742 3.633 14.942 544 3HZ LYS 64 3HZ LYS 64 10.787 4.939 16.027 545 H ARG 65 H ARG 65 9.843 6.772 10.181 546 HA ARG 65 HA ARG 65 12.434 5.701 10.002 547 1HB ARG 65 2HB ARG 65 11.641 4.982 7.724 548 2HB ARG 65 1HB ARG 65 10.455 4.697 8.998 549 1HG ARG 65 2HG ARG 65 9.825 7.252 8.234 550 2HG ARG 65 1HG ARG 65 10.336 6.542 6.701 551 1HD ARG 65 2HD ARG 65 7.943 6.141 6.967 552 2HD ARG 65 1HD ARG 65 8.783 4.594 7.192 553 HE ARG 65 HE ARG 65 8.734 5.248 9.712 554 1HH1 ARG 65 1HH2 ARG 65 6.155 4.442 7.944 555 2HH1 ARG 65 2HH2 ARG 65 4.969 5.352 8.820 556 1HH2 ARG 65 1HH1 ARG 65 7.309 7.184 10.607 557 2HH2 ARG 65 2HH1 ARG 65 5.623 6.904 10.327 558 H LEU 66 H LEU 66 14.100 6.033 8.332 559 HA LEU 66 HA LEU 66 14.146 8.203 6.507 560 1HB LEU 66 2HB LEU 66 14.099 9.147 9.027 561 2HB LEU 66 1HB LEU 66 15.837 8.901 8.860 562 HG LEU 66 HG LEU 66 15.121 11.190 8.166 563 1HD1 LEU 66 1HD1 LEU 66 16.247 11.110 5.914 564 2HD1 LEU 66 2HD1 LEU 66 16.215 9.350 6.020 565 3HD1 LEU 66 3HD1 LEU 66 17.144 10.287 7.190 566 1HD2 LEU 66 1HD2 LEU 66 14.000 10.311 5.612 567 2HD2 LEU 66 2HD2 LEU 66 13.392 11.520 6.743 568 3HD2 LEU 66 3HD2 LEU 66 13.006 9.815 6.982 569 H GLY 67 H GLY 67 15.442 7.014 5.118 570 1HA GLY 67 2HA GLY 67 17.375 5.131 5.660 571 2HA GLY 67 1HA GLY 67 17.495 6.217 4.278 572 H ARG 68 H ARG 68 18.627 5.585 7.515 573 HA ARG 68 HA ARG 68 20.982 7.263 7.073 574 1HB ARG 68 2HB ARG 68 18.634 8.095 8.735 575 2HB ARG 68 1HB ARG 68 20.247 8.528 9.302 576 1HG ARG 68 2HG ARG 68 20.534 9.270 6.752 577 2HG ARG 68 1HG ARG 68 18.783 9.447 6.869 578 1HD ARG 68 2HD ARG 68 19.112 10.864 8.919 579 2HD ARG 68 1HD ARG 68 20.862 10.790 8.630 580 HE ARG 68 HE ARG 68 19.607 11.541 6.191 581 1HH1 ARG 68 1HH2 ARG 68 20.740 12.688 9.213 582 2HH1 ARG 68 2HH2 ARG 68 20.490 14.359 8.835 583 1HH2 ARG 68 1HH1 ARG 68 19.026 13.717 5.758 584 2HH2 ARG 68 2HH1 ARG 68 19.518 14.943 6.879 585 H TYR 69 H TYR 69 22.023 7.462 9.543 586 HA TYR 69 HA TYR 69 22.970 4.950 10.280 587 1HB TYR 69 2HB TYR 69 23.732 6.060 12.261 588 2HB TYR 69 1HB TYR 69 23.668 7.299 11.007 589 HD1 TYR 69 1HD TYR 69 22.185 9.156 11.174 590 HD2 TYR 69 2HD TYR 69 21.840 5.859 13.900 591 HE1 TYR 69 1HE TYR 69 20.590 10.464 12.550 592 HE2 TYR 69 2HE TYR 69 20.247 7.163 15.278 593 HH TYR 69 HH TYR 69 19.814 9.741 15.643 594 H LEU 70 H LEU 70 22.148 3.230 11.436 595 HA LEU 70 HA LEU 70 20.426 1.886 12.371 596 1HB LEU 70 2HB LEU 70 21.391 3.960 14.021 597 2HB LEU 70 1HB LEU 70 19.656 3.855 14.317 598 HG LEU 70 HG LEU 70 21.706 1.642 14.560 599 1HD1 LEU 70 1HD1 LEU 70 20.611 1.506 16.851 600 2HD1 LEU 70 2HD1 LEU 70 19.789 3.014 16.454 601 3HD1 LEU 70 3HD1 LEU 70 21.549 2.967 16.550 602 1HD2 LEU 70 1HD2 LEU 70 19.500 0.383 15.300 603 2HD2 LEU 70 2HD2 LEU 70 19.947 0.457 13.595 604 3HD2 LEU 70 3HD2 LEU 70 18.724 1.556 14.233 605 H GLY 71 H GLY 71 19.498 3.392 10.176 606 1HA GLY 71 2HA GLY 71 16.718 4.080 11.047 607 2HA GLY 71 1HA GLY 71 17.522 4.885 9.698 608 H LYS 72 H LYS 72 15.008 3.237 9.772 609 HA LYS 72 HA LYS 72 15.594 1.631 7.378 610 1HB LYS 72 2HB LYS 72 14.833 -0.471 8.442 611 2HB LYS 72 1HB LYS 72 16.253 0.174 9.266 612 1HG LYS 72 2HG LYS 72 14.793 1.209 10.970 613 2HG LYS 72 1HG LYS 72 13.377 0.547 10.153 614 1HD LYS 72 2HD LYS 72 15.530 -1.390 10.823 615 2HD LYS 72 1HD LYS 72 14.621 -0.730 12.184 616 1HE LYS 72 2HE LYS 72 13.057 -2.316 11.705 617 2HE LYS 72 1HE LYS 72 12.648 -1.320 10.294 618 1HZ LYS 72 1HZ LYS 72 14.372 -3.686 10.458 619 2HZ LYS 72 2HZ LYS 72 14.784 -2.474 9.339 620 3HZ LYS 72 3HZ LYS 72 13.269 -3.240 9.249 621 H ARG 73 H ARG 73 13.567 0.815 6.398 622 HA ARG 73 HA ARG 73 11.256 2.560 7.076 623 1HB ARG 73 2HB ARG 73 12.522 1.701 4.736 624 2HB ARG 73 1HB ARG 73 11.017 0.781 4.773 625 1HG ARG 73 2HG ARG 73 9.974 2.620 3.995 626 2HG ARG 73 1HG ARG 73 10.294 3.376 5.557 627 1HD ARG 73 2HD ARG 73 12.004 4.660 4.727 628 2HD ARG 73 1HD ARG 73 12.567 3.376 3.638 629 HE ARG 73 HE ARG 73 9.958 4.323 2.839 630 1HH1 ARG 73 1HH2 ARG 73 12.609 3.725 1.268 631 2HH1 ARG 73 2HH2 ARG 73 12.854 5.269 0.522 632 1HH2 ARG 73 1HH1 ARG 73 10.571 6.910 2.551 633 2HH2 ARG 73 2HH1 ARG 73 11.701 7.072 1.248 634 HA PRO 74 HA PRO 74 9.082 -0.810 8.908 635 1HB PRO 74 2HB PRO 74 6.537 0.133 8.644 636 2HB PRO 74 1HB PRO 74 7.686 0.787 9.826 637 1HG PRO 74 2HG PRO 74 6.864 1.873 7.185 638 2HG PRO 74 1HG PRO 74 7.219 2.725 8.695 639 1HD PRO 74 2HD PRO 74 8.962 2.558 6.591 640 2HD PRO 74 1HD PRO 74 9.465 2.789 8.280 641 H ASP 75 H ASP 75 6.617 -1.788 8.195 642 HA ASP 75 HA ASP 75 7.026 -2.711 5.383 643 1HB ASP 75 2HB ASP 75 6.072 -4.008 7.936 644 2HB ASP 75 1HB ASP 75 5.645 -4.699 6.370 645 H ARG 76 H ARG 76 5.708 -1.002 4.552 646 HA ARG 76 HA ARG 76 2.786 -1.299 5.148 647 1HB ARG 76 2HB ARG 76 3.475 0.728 6.156 648 2HB ARG 76 1HB ARG 76 4.580 1.107 4.835 649 1HG ARG 76 2HG ARG 76 2.547 1.296 3.332 650 2HG ARG 76 1HG ARG 76 1.557 1.195 4.788 651 1HD ARG 76 2HD ARG 76 3.741 3.145 5.037 652 2HD ARG 76 1HD ARG 76 2.587 3.547 3.752 653 HE ARG 76 HE ARG 76 1.057 2.692 5.963 654 1HH1 ARG 76 1HH2 ARG 76 0.517 5.313 4.781 655 2HH1 ARG 76 2HH2 ARG 76 1.037 6.422 6.007 656 1HH2 ARG 76 1HH1 ARG 76 2.926 4.068 7.712 657 2HH2 ARG 76 2HH1 ARG 76 2.400 5.717 7.666 658 H LYS 77 H LYS 77 1.938 -2.230 3.310 659 HA LYS 77 HA LYS 77 2.876 -1.187 0.654 660 1HB LYS 77 2HB LYS 77 3.637 -3.449 0.986 661 2HB LYS 77 1HB LYS 77 2.059 -3.953 1.588 662 1HG LYS 77 2HG LYS 77 1.053 -3.668 -0.582 663 2HG LYS 77 1HG LYS 77 2.508 -2.895 -1.213 664 1HD LYS 77 2HD LYS 77 3.618 -4.880 -1.467 665 2HD LYS 77 1HD LYS 77 2.879 -5.594 -0.034 666 1HE LYS 77 2HE LYS 77 0.691 -5.348 -1.656 667 2HE LYS 77 1HE LYS 77 1.967 -5.675 -2.846 668 1HZ LYS 77 1HZ LYS 77 0.953 -7.698 -1.773 669 2HZ LYS 77 2HZ LYS 77 1.692 -7.208 -0.324 670 3HZ LYS 77 3HZ LYS 77 2.643 -7.592 -1.677 671 H LYS 78 H LYS 78 1.248 -0.542 -0.762 672 HA LYS 78 HA LYS 78 -1.540 -0.602 0.296 673 1HB LYS 78 2HB LYS 78 0.178 1.226 -1.179 674 2HB LYS 78 1HB LYS 78 -1.366 0.999 -2.002 675 1HG LYS 78 2HG LYS 78 -2.378 1.318 0.402 676 2HG LYS 78 1HG LYS 78 -0.831 2.092 0.746 677 1HD LYS 78 2HD LYS 78 -1.161 3.676 -1.068 678 2HD LYS 78 1HD LYS 78 -2.634 2.848 -1.570 679 1HE LYS 78 2HE LYS 78 -3.789 3.492 0.439 680 2HE LYS 78 1HE LYS 78 -2.287 4.074 1.184 681 1HZ LYS 78 1HZ LYS 78 -3.560 5.898 0.194 682 2HZ LYS 78 2HZ LYS 78 -3.484 5.135 -1.322 683 3HZ LYS 78 3HZ LYS 78 -2.063 5.697 -0.578 684 H ALA 79 H ALA 79 -3.259 -1.454 -1.005 685 HA ALA 79 HA ALA 79 -2.423 -2.860 -3.519 686 1HB ALA 79 1HB ALA 79 -2.987 -4.046 -1.126 687 2HB ALA 79 2HB ALA 79 -3.183 -4.828 -2.700 688 3HB ALA 79 3HB ALA 79 -4.569 -4.053 -1.915 689 H ILE 80 H ILE 80 -3.656 -2.296 -5.227 690 HA ILE 80 HA ILE 80 -6.331 -1.073 -4.710 691 HB ILE 80 HB ILE 80 -4.292 -0.930 -6.933 692 1HG1 ILE 80 2HG1 ILE 80 -4.418 1.460 -6.450 693 2HG1 ILE 80 1HG1 ILE 80 -5.701 1.189 -5.279 694 1HG2 ILE 80 1HG2 ILE 80 -7.217 -0.189 -6.954 695 2HG2 ILE 80 2HG2 ILE 80 -6.309 -1.103 -8.160 696 3HG2 ILE 80 3HG2 ILE 80 -6.055 0.636 -7.994 697 1HD1 ILE 80 1HD1 ILE 80 -3.245 1.436 -4.425 698 2HD1 ILE 80 2HD1 ILE 80 -3.060 -0.224 -4.994 699 3HD1 ILE 80 3HD1 ILE 80 -4.255 0.156 -3.753 700 H VAL 81 H VAL 81 -7.892 -2.633 -4.856 701 HA VAL 81 HA VAL 81 -7.501 -4.924 -6.713 702 HB VAL 81 HB VAL 81 -9.898 -4.593 -4.947 703 1HG1 VAL 81 1HG1 VAL 81 -9.968 -6.868 -5.068 704 2HG1 VAL 81 2HG1 VAL 81 -8.214 -7.029 -4.966 705 3HG1 VAL 81 3HG1 VAL 81 -8.974 -6.611 -6.502 706 1HG2 VAL 81 1HG2 VAL 81 -8.563 -4.099 -3.157 707 2HG2 VAL 81 2HG2 VAL 81 -7.092 -4.554 -4.019 708 3HG2 VAL 81 3HG2 VAL 81 -8.087 -5.795 -3.259 709 H GLN 82 H GLN 82 -8.835 -5.275 -8.496 710 HA GLN 82 HA GLN 82 -10.873 -3.149 -9.075 711 1HB GLN 82 2HB GLN 82 -8.890 -3.003 -10.487 712 2HB GLN 82 1HB GLN 82 -9.010 -4.709 -10.892 713 1HG GLN 82 2HG GLN 82 -10.164 -3.953 -12.702 714 2HG GLN 82 1HG GLN 82 -11.504 -3.842 -11.561 715 1HE2 GLN 82 1HE2 GLN 82 -12.262 -2.010 -13.018 716 2HE2 GLN 82 2HE2 GLN 82 -11.593 -0.466 -12.788 717 H VAL 83 H VAL 83 -12.880 -3.910 -9.809 718 HA VAL 83 HA VAL 83 -13.070 -6.870 -10.077 719 HB VAL 83 HB VAL 83 -15.083 -6.839 -8.814 720 1HG1 VAL 83 1HG1 VAL 83 -14.331 -6.080 -6.724 721 2HG1 VAL 83 2HG1 VAL 83 -13.531 -4.668 -7.418 722 3HG1 VAL 83 3HG1 VAL 83 -12.825 -6.272 -7.621 723 1HG2 VAL 83 1HG2 VAL 83 -14.992 -3.818 -9.114 724 2HG2 VAL 83 2HG2 VAL 83 -16.179 -4.700 -8.151 725 3HG2 VAL 83 3HG2 VAL 83 -16.131 -4.912 -9.904 726 H ALA 84 H ALA 84 -14.763 -7.606 -11.486 727 HA ALA 84 HA ALA 84 -14.917 -6.534 -14.023 728 1HB ALA 84 1HB ALA 84 -17.439 -7.689 -13.071 729 2HB ALA 84 2HB ALA 84 -16.017 -8.614 -12.582 730 3HB ALA 84 3HB ALA 84 -16.317 -8.290 -14.294 731 HA PRO 85 HA PRO 85 -17.639 -3.106 -13.973 732 1HB PRO 85 2HB PRO 85 -19.097 -3.493 -16.256 733 2HB PRO 85 1HB PRO 85 -17.391 -3.039 -16.273 734 1HG PRO 85 2HG PRO 85 -18.634 -5.639 -16.789 735 2HG PRO 85 1HG PRO 85 -17.164 -4.944 -17.464 736 1HD PRO 85 2HD PRO 85 -17.262 -6.871 -15.459 737 2HD PRO 85 1HD PRO 85 -15.866 -5.847 -15.837 738 H GLY 86 H GLY 86 -18.616 -4.877 -12.144 739 1HA GLY 86 2HA GLY 86 -21.473 -4.391 -12.238 740 2HA GLY 86 1HA GLY 86 -21.094 -6.098 -12.477 741 H GLN 87 H GLN 87 -18.947 -6.465 -10.775 742 HA GLN 87 HA GLN 87 -20.087 -6.945 -8.266 743 1HB GLN 87 2HB GLN 87 -17.279 -6.393 -9.222 744 2HB GLN 87 1HB GLN 87 -17.604 -6.833 -7.550 745 1HG GLN 87 2HG GLN 87 -17.310 -8.562 -9.787 746 2HG GLN 87 1HG GLN 87 -17.673 -8.998 -8.121 747 1HE2 GLN 87 1HE2 GLN 87 -19.677 -9.995 -7.792 748 2HE2 GLN 87 2HE2 GLN 87 -20.967 -9.963 -8.895 749 H LYS 88 H LYS 88 -18.828 -5.838 -6.223 750 HA LYS 88 HA LYS 88 -18.363 -3.011 -6.270 751 1HB LYS 88 2HB LYS 88 -20.608 -2.373 -5.244 752 2HB LYS 88 1HB LYS 88 -20.666 -2.834 -6.947 753 1HG LYS 88 2HG LYS 88 -21.179 -5.210 -6.123 754 2HG LYS 88 1HG LYS 88 -21.472 -4.480 -4.544 755 1HD LYS 88 2HD LYS 88 -22.863 -2.865 -6.384 756 2HD LYS 88 1HD LYS 88 -23.192 -4.528 -6.873 757 1HE LYS 88 2HE LYS 88 -23.578 -4.904 -4.283 758 2HE LYS 88 1HE LYS 88 -23.867 -3.153 -4.291 759 1HZ LYS 88 1HZ LYS 88 -25.613 -3.344 -5.743 760 2HZ LYS 88 2HZ LYS 88 -25.796 -4.791 -4.872 761 3HZ LYS 88 3HZ LYS 88 -25.061 -4.805 -6.404 762 H ILE 89 H ILE 89 -16.746 -4.106 -4.794 763 HA ILE 89 HA ILE 89 -17.273 -5.479 -2.423 764 HB ILE 89 HB ILE 89 -15.251 -3.389 -3.234 765 1HG1 ILE 89 2HG1 ILE 89 -15.240 -6.386 -2.781 766 2HG1 ILE 89 1HG1 ILE 89 -14.973 -5.528 -4.299 767 1HG2 ILE 89 1HG2 ILE 89 -15.228 -4.963 -0.639 768 2HG2 ILE 89 2HG2 ILE 89 -15.612 -3.246 -0.758 769 3HG2 ILE 89 3HG2 ILE 89 -14.002 -3.819 -1.185 770 1HD1 ILE 89 1HD1 ILE 89 -12.770 -5.747 -3.808 771 2HD1 ILE 89 2HD1 ILE 89 -13.090 -6.087 -2.109 772 3HD1 ILE 89 3HD1 ILE 89 -13.048 -4.420 -2.681 773 H GLU 90 H GLU 90 -18.895 -4.917 -1.006 774 HA GLU 90 HA GLU 90 -19.840 -2.238 -0.566 775 1HB GLU 90 2HB GLU 90 -20.085 -4.864 0.922 776 2HB GLU 90 1HB GLU 90 -20.974 -3.414 1.393 777 1HG GLU 90 2HG GLU 90 -21.104 -4.191 -1.479 778 2HG GLU 90 1HG GLU 90 -21.979 -5.212 -0.338 779 H ALA 91 H ALA 91 -17.089 -3.914 0.653 780 HA ALA 91 HA ALA 91 -16.818 -2.874 3.271 781 1HB ALA 91 1HB ALA 91 -14.444 -3.371 2.917 782 2HB ALA 91 2HB ALA 91 -14.685 -3.369 1.170 783 3HB ALA 91 3HB ALA 91 -15.430 -4.623 2.162 784 H LEU 92 H LEU 92 -16.015 -1.374 0.135 785 HA LEU 92 HA LEU 92 -15.192 1.110 1.595 786 1HB LEU 92 2HB LEU 92 -14.852 0.901 -1.345 787 2HB LEU 92 1HB LEU 92 -13.714 1.463 -0.125 788 HG LEU 92 HG LEU 92 -14.389 -1.414 -0.782 789 1HD1 LEU 92 1HD1 LEU 92 -12.653 0.278 -2.055 790 2HD1 LEU 92 2HD1 LEU 92 -12.445 -1.472 -1.971 791 3HD1 LEU 92 3HD1 LEU 92 -11.604 -0.428 -0.825 792 1HD2 LEU 92 1HD2 LEU 92 -13.282 -2.088 1.112 793 2HD2 LEU 92 2HD2 LEU 92 -13.800 -0.510 1.707 794 3HD2 LEU 92 3HD2 LEU 92 -12.169 -0.721 1.069 795 H GLU 93 H GLU 93 -17.583 -0.235 -0.558 796 HA GLU 93 HA GLU 93 -18.591 2.135 -1.751 797 1HB GLU 93 2HB GLU 93 -19.975 -0.415 -0.869 798 2HB GLU 93 1HB GLU 93 -20.645 0.745 -2.015 799 1HG GLU 93 2HG GLU 93 -17.907 -0.393 -2.494 800 2HG GLU 93 1HG GLU 93 -19.332 -1.344 -2.918 801 H GLY 94 H GLY 94 -19.119 0.736 1.451 802 1HA GLY 94 2HA GLY 94 -21.113 2.856 2.066 803 2HA GLY 94 1HA GLY 94 -20.804 1.429 3.054 804 H LEU 95 H LEU 95 -17.794 2.175 2.419 805 HA LEU 95 HA LEU 95 -17.390 3.603 4.944 806 1HB LEU 95 2HB LEU 95 -15.965 1.898 3.156 807 2HB LEU 95 1HB LEU 95 -15.034 3.389 3.315 808 HG LEU 95 HG LEU 95 -14.974 3.190 5.713 809 1HD1 LEU 95 1HD1 LEU 95 -17.245 1.393 5.206 810 2HD1 LEU 95 2HD1 LEU 95 -16.865 2.348 6.640 811 3HD1 LEU 95 3HD1 LEU 95 -16.109 0.772 6.404 812 1HD2 LEU 95 1HD2 LEU 95 -14.074 1.037 3.970 813 2HD2 LEU 95 2HD2 LEU 95 -14.361 0.457 5.611 814 3HD2 LEU 95 3HD2 LEU 95 -13.242 1.791 5.331 815 H ILE 96 H ILE 96 -17.952 4.541 1.714 816 HA ILE 96 HA ILE 96 -16.285 6.901 1.580 817 HB ILE 96 HB ILE 96 -17.626 7.360 -0.388 818 1HG1 ILE 96 2HG1 ILE 96 -19.576 5.250 -0.214 819 2HG1 ILE 96 1HG1 ILE 96 -19.706 6.276 1.215 820 1HG2 ILE 96 1HG2 ILE 96 -16.515 5.629 -1.306 821 2HG2 ILE 96 2HG2 ILE 96 -17.908 4.614 -0.934 822 3HG2 ILE 96 3HG2 ILE 96 -16.571 4.727 0.210 823 1HD1 ILE 96 1HD1 ILE 96 -20.995 6.918 -1.002 824 2HD1 ILE 96 2HD1 ILE 96 -19.426 7.573 -1.473 825 3HD1 ILE 96 3HD1 ILE 96 -20.231 8.171 -0.023 Start of MODEL 5 1 1H MET 1 1HT MET 1 -1.550 -11.916 13.074 2 2H MET 1 2HT MET 1 -1.772 -13.554 12.678 3 3H MET 1 3HT MET 1 -3.085 -12.476 12.613 4 HA MET 1 HA MET 1 -0.743 -11.889 10.932 5 1HB MET 1 2HB MET 1 -1.857 -13.433 9.225 6 2HB MET 1 1HB MET 1 -1.040 -14.256 10.562 7 1HG MET 1 2HG MET 1 -3.786 -13.594 11.247 8 2HG MET 1 1HG MET 1 -3.716 -14.563 9.774 9 1HE MET 1 1HE MET 1 -1.893 -16.134 9.498 10 2HE MET 1 2HE MET 1 -2.864 -17.508 10.021 11 3HE MET 1 3HE MET 1 -1.255 -17.266 10.697 12 H LYS 2 H LYS 2 -1.390 -10.384 9.357 13 HA LYS 2 HA LYS 2 -3.615 -8.713 9.623 14 1HB LYS 2 2HB LYS 2 -2.578 -9.688 6.939 15 2HB LYS 2 1HB LYS 2 -3.185 -8.087 7.333 16 1HG LYS 2 2HG LYS 2 -0.545 -9.322 8.111 17 2HG LYS 2 1HG LYS 2 -0.843 -7.795 7.286 18 1HD LYS 2 2HD LYS 2 -1.805 -6.840 9.319 19 2HD LYS 2 1HD LYS 2 -1.615 -8.379 10.159 20 1HE LYS 2 2HE LYS 2 0.892 -8.196 9.631 21 2HE LYS 2 1HE LYS 2 0.561 -6.507 9.196 22 1HZ LYS 2 1HZ LYS 2 1.059 -7.230 11.683 23 2HZ LYS 2 2HZ LYS 2 -0.617 -7.509 11.673 24 3HZ LYS 2 3HZ LYS 2 -0.007 -5.965 11.311 25 H THR 3 H THR 3 -5.519 -9.825 10.124 26 HA THR 3 HA THR 3 -7.070 -11.764 9.844 27 HB THR 3 HB THR 3 -7.442 -9.260 8.236 28 HG1 THR 3 1HG THR 3 -8.331 -8.710 10.039 29 1HG2 THR 3 1HG2 THR 3 -9.267 -11.660 8.255 30 2HG2 THR 3 2HG2 THR 3 -8.659 -10.759 6.865 31 3HG2 THR 3 3HG2 THR 3 -9.865 -10.032 7.930 32 H ALA 4 H ALA 4 -6.677 -10.413 6.585 33 HA ALA 4 HA ALA 4 -7.137 -12.786 5.093 34 1HB ALA 4 1HB ALA 4 -5.533 -11.413 3.519 35 2HB ALA 4 2HB ALA 4 -5.674 -10.193 4.778 36 3HB ALA 4 3HB ALA 4 -7.117 -10.758 3.931 37 H TYR 5 H TYR 5 -5.864 -14.357 6.510 38 HA TYR 5 HA TYR 5 -3.792 -15.295 7.323 39 1HB TYR 5 2HB TYR 5 -2.737 -16.365 5.244 40 2HB TYR 5 1HB TYR 5 -4.445 -16.686 5.513 41 HD1 TYR 5 1HD TYR 5 -2.071 -15.751 3.112 42 HD2 TYR 5 2HD TYR 5 -6.071 -14.858 4.393 43 HE1 TYR 5 1HE TYR 5 -2.595 -14.860 0.856 44 HE2 TYR 5 2HE TYR 5 -6.588 -13.955 2.151 45 HH TYR 5 HH TYR 5 -4.212 -13.268 -0.156 46 H ASP 6 H ASP 6 -3.409 -12.623 7.496 47 HA ASP 6 HA ASP 6 -1.713 -11.049 7.699 48 1HB ASP 6 2HB ASP 6 -0.346 -12.719 8.543 49 2HB ASP 6 1HB ASP 6 -0.215 -13.540 6.990 50 H VAL 7 H VAL 7 -3.211 -10.666 5.519 51 HA VAL 7 HA VAL 7 -1.224 -9.790 3.458 52 HB VAL 7 HB VAL 7 -3.993 -10.772 2.791 53 1HG1 VAL 7 1HG1 VAL 7 -2.372 -9.402 1.275 54 2HG1 VAL 7 2HG1 VAL 7 -3.206 -10.804 0.597 55 3HG1 VAL 7 3HG1 VAL 7 -1.521 -10.938 1.100 56 1HG2 VAL 7 1HG2 VAL 7 -2.170 -12.448 3.979 57 2HG2 VAL 7 2HG2 VAL 7 -1.798 -12.652 2.267 58 3HG2 VAL 7 3HG2 VAL 7 -3.435 -12.945 2.861 59 H ILE 8 H ILE 8 -4.112 -9.080 2.199 60 HA ILE 8 HA ILE 8 -4.094 -6.302 2.666 61 HB ILE 8 HB ILE 8 -6.433 -8.131 2.016 62 1HG1 ILE 8 2HG1 ILE 8 -5.053 -7.025 -0.272 63 2HG1 ILE 8 1HG1 ILE 8 -3.928 -7.952 0.720 64 1HG2 ILE 8 1HG2 ILE 8 -7.476 -6.261 1.183 65 2HG2 ILE 8 2HG2 ILE 8 -5.961 -5.552 0.621 66 3HG2 ILE 8 3HG2 ILE 8 -6.422 -5.420 2.321 67 1HD1 ILE 8 1HD1 ILE 8 -5.441 -9.143 -1.109 68 2HD1 ILE 8 2HD1 ILE 8 -6.626 -9.122 0.194 69 3HD1 ILE 8 3HD1 ILE 8 -5.077 -9.934 0.422 70 H LEU 9 H LEU 9 -5.440 -4.992 4.045 71 HA LEU 9 HA LEU 9 -6.796 -6.451 6.284 72 1HB LEU 9 2HB LEU 9 -4.780 -4.196 6.330 73 2HB LEU 9 1HB LEU 9 -5.810 -4.556 7.716 74 HG LEU 9 HG LEU 9 -4.511 -6.931 6.576 75 1HD1 LEU 9 1HD1 LEU 9 -2.275 -6.416 7.393 76 2HD1 LEU 9 2HD1 LEU 9 -2.805 -4.823 7.936 77 3HD1 LEU 9 3HD1 LEU 9 -2.745 -5.193 6.213 78 1HD2 LEU 9 1HD2 LEU 9 -5.357 -7.411 8.647 79 2HD2 LEU 9 2HD2 LEU 9 -5.235 -5.739 9.193 80 3HD2 LEU 9 3HD2 LEU 9 -3.809 -6.776 9.201 81 H ALA 10 H ALA 10 -6.456 -3.007 6.422 82 HA ALA 10 HA ALA 10 -9.356 -2.726 5.739 83 1HB ALA 10 1HB ALA 10 -8.043 -0.504 7.109 84 2HB ALA 10 2HB ALA 10 -7.822 -2.030 7.965 85 3HB ALA 10 3HB ALA 10 -9.448 -1.448 7.607 86 HA PRO 11 HA PRO 11 -8.273 -0.164 2.332 87 1HB PRO 11 2HB PRO 11 -10.532 1.370 2.173 88 2HB PRO 11 1HB PRO 11 -10.491 -0.337 1.690 89 1HG PRO 11 2HG PRO 11 -11.543 0.900 4.176 90 2HG PRO 11 1HG PRO 11 -12.152 -0.484 3.257 91 1HD PRO 11 2HD PRO 11 -10.699 -0.683 5.581 92 2HD PRO 11 1HD PRO 11 -10.802 -1.959 4.348 93 H VAL 12 H VAL 12 -7.827 2.141 1.797 94 HA VAL 12 HA VAL 12 -7.278 3.740 4.264 95 HB VAL 12 HB VAL 12 -5.492 4.688 3.005 96 1HG1 VAL 12 1HG1 VAL 12 -5.561 1.939 1.789 97 2HG1 VAL 12 2HG1 VAL 12 -5.442 2.120 3.539 98 3HG1 VAL 12 3HG1 VAL 12 -4.198 2.807 2.495 99 1HG2 VAL 12 1HG2 VAL 12 -6.871 5.168 0.981 100 2HG2 VAL 12 2HG2 VAL 12 -6.747 3.469 0.525 101 3HG2 VAL 12 3HG2 VAL 12 -5.300 4.475 0.575 102 H LEU 13 H LEU 13 -8.082 5.856 4.432 103 HA LEU 13 HA LEU 13 -10.141 6.619 2.411 104 1HB LEU 13 2HB LEU 13 -9.575 7.343 5.294 105 2HB LEU 13 1HB LEU 13 -10.781 8.193 4.329 106 HG LEU 13 HG LEU 13 -11.960 6.468 5.502 107 1HD1 LEU 13 1HD1 LEU 13 -12.228 6.734 2.910 108 2HD1 LEU 13 2HD1 LEU 13 -12.982 5.356 3.711 109 3HD1 LEU 13 3HD1 LEU 13 -11.459 5.147 2.846 110 1HD2 LEU 13 1HD2 LEU 13 -11.218 4.241 5.731 111 2HD2 LEU 13 2HD2 LEU 13 -9.731 5.177 5.882 112 3HD2 LEU 13 3HD2 LEU 13 -10.116 4.371 4.361 113 H SER 14 H SER 14 -9.158 7.858 0.834 114 HA SER 14 HA SER 14 -7.895 10.397 1.673 115 1HB SER 14 2HB SER 14 -6.034 9.591 -0.115 116 2HB SER 14 1HB SER 14 -5.884 9.281 1.611 117 HG SER 14 HG SER 14 -6.130 7.537 -0.398 118 H GLU 15 H GLU 15 -8.199 11.991 0.089 119 HA GLU 15 HA GLU 15 -10.205 11.905 -1.799 120 1HB GLU 15 2HB GLU 15 -8.626 13.800 -0.996 121 2HB GLU 15 1HB GLU 15 -7.590 13.314 -2.337 122 1HG GLU 15 2HG GLU 15 -10.507 13.786 -2.850 123 2HG GLU 15 1HG GLU 15 -9.428 15.172 -2.701 124 H LYS 16 H LYS 16 -6.747 11.263 -2.541 125 HA LYS 16 HA LYS 16 -7.034 10.569 -5.245 126 1HB LYS 16 2HB LYS 16 -4.861 9.640 -4.986 127 2HB LYS 16 1HB LYS 16 -4.963 10.876 -3.737 128 1HG LYS 16 2HG LYS 16 -5.563 9.170 -2.070 129 2HG LYS 16 1HG LYS 16 -5.488 7.923 -3.317 130 1HD LYS 16 2HD LYS 16 -3.127 9.717 -2.765 131 2HD LYS 16 1HD LYS 16 -3.397 8.248 -1.825 132 1HE LYS 16 2HE LYS 16 -2.738 6.904 -3.544 133 2HE LYS 16 1HE LYS 16 -3.646 7.852 -4.739 134 1HZ LYS 16 1HZ LYS 16 -1.089 7.972 -4.788 135 2HZ LYS 16 2HZ LYS 16 -1.253 8.976 -3.427 136 3HZ LYS 16 3HZ LYS 16 -1.965 9.419 -4.904 137 H ALA 17 H ALA 17 -7.358 8.520 -2.352 138 HA ALA 17 HA ALA 17 -7.773 6.053 -3.745 139 1HB ALA 17 1HB ALA 17 -9.146 5.945 -1.307 140 2HB ALA 17 2HB ALA 17 -7.891 7.157 -1.048 141 3HB ALA 17 3HB ALA 17 -7.452 5.529 -1.563 142 H TYR 18 H TYR 18 -10.209 8.016 -1.994 143 HA TYR 18 HA TYR 18 -12.532 6.781 -2.921 144 1HB TYR 18 2HB TYR 18 -11.717 9.497 -2.010 145 2HB TYR 18 1HB TYR 18 -13.301 9.367 -2.778 146 HD1 TYR 18 1HD TYR 18 -14.162 6.676 -2.023 147 HD2 TYR 18 2HD TYR 18 -12.143 9.667 0.304 148 HE1 TYR 18 1HE TYR 18 -15.089 5.682 0.057 149 HE2 TYR 18 2HE TYR 18 -13.071 8.679 2.383 150 HH TYR 18 HH TYR 18 -14.479 7.173 3.232 151 H ALA 19 H ALA 19 -10.434 9.043 -4.633 152 HA ALA 19 HA ALA 19 -12.326 9.315 -6.876 153 1HB ALA 19 1HB ALA 19 -10.914 11.188 -6.109 154 2HB ALA 19 2HB ALA 19 -10.491 10.750 -7.764 155 3HB ALA 19 3HB ALA 19 -9.464 10.236 -6.425 156 H GLY 20 H GLY 20 -9.988 7.084 -5.869 157 1HA GLY 20 2HA GLY 20 -9.485 6.162 -8.668 158 2HA GLY 20 1HA GLY 20 -8.440 5.786 -7.293 159 H PHE 21 H PHE 21 -10.504 5.196 -5.427 160 HA PHE 21 HA PHE 21 -11.060 2.438 -6.142 161 1HB PHE 21 2HB PHE 21 -10.935 2.477 -3.879 162 2HB PHE 21 1HB PHE 21 -11.079 4.227 -3.853 163 HD1 PHE 21 1HD PHE 21 -13.360 1.362 -4.729 164 HD2 PHE 21 2HD PHE 21 -12.789 4.979 -2.487 165 HE1 PHE 21 1HE PHE 21 -15.656 1.158 -3.818 166 HE2 PHE 21 2HE PHE 21 -15.085 4.777 -1.576 167 HZ PHE 21 HZ PHE 21 -16.520 2.866 -2.240 168 H ALA 22 H ALA 22 -12.721 5.468 -6.394 169 HA ALA 22 HA ALA 22 -15.416 4.779 -6.424 170 1HB ALA 22 1HB ALA 22 -13.755 6.912 -7.109 171 2HB ALA 22 2HB ALA 22 -15.519 6.934 -7.104 172 3HB ALA 22 3HB ALA 22 -14.645 6.565 -8.592 173 H GLU 23 H GLU 23 -12.913 3.881 -8.654 174 HA GLU 23 HA GLU 23 -14.820 3.070 -10.777 175 1HB GLU 23 2HB GLU 23 -12.299 4.114 -10.761 176 2HB GLU 23 1HB GLU 23 -11.937 2.396 -10.917 177 1HG GLU 23 2HG GLU 23 -12.213 2.942 -13.150 178 2HG GLU 23 1HG GLU 23 -13.872 2.506 -12.738 179 H GLY 24 H GLY 24 -14.311 1.731 -7.955 180 1HA GLY 24 2HA GLY 24 -14.882 -0.520 -7.387 181 2HA GLY 24 1HA GLY 24 -14.415 -1.001 -9.012 182 H LYS 25 H LYS 25 -12.065 1.060 -7.940 183 HA LYS 25 HA LYS 25 -10.167 -1.135 -7.500 184 1HB LYS 25 2HB LYS 25 -10.011 1.895 -7.554 185 2HB LYS 25 1HB LYS 25 -8.598 0.870 -7.317 186 1HG LYS 25 2HG LYS 25 -9.262 -0.320 -9.475 187 2HG LYS 25 1HG LYS 25 -10.414 0.988 -9.733 188 1HD LYS 25 2HD LYS 25 -8.451 2.595 -9.430 189 2HD LYS 25 1HD LYS 25 -7.403 1.182 -9.550 190 1HE LYS 25 2HE LYS 25 -8.593 0.646 -11.754 191 2HE LYS 25 1HE LYS 25 -9.283 2.280 -11.657 192 1HZ LYS 25 1HZ LYS 25 -7.199 3.258 -11.708 193 2HZ LYS 25 2HZ LYS 25 -7.018 1.981 -12.813 194 3HZ LYS 25 3HZ LYS 25 -6.395 1.840 -11.238 195 H TYR 26 H TYR 26 -9.205 -1.647 -5.468 196 HA TYR 26 HA TYR 26 -10.260 -0.102 -3.126 197 1HB TYR 26 2HB TYR 26 -9.833 -3.087 -3.402 198 2HB TYR 26 1HB TYR 26 -10.495 -2.262 -1.990 199 HD1 TYR 26 1HD TYR 26 -11.709 -4.376 -4.125 200 HD2 TYR 26 2HD TYR 26 -12.139 -0.169 -3.372 201 HE1 TYR 26 1HE TYR 26 -13.968 -4.422 -5.145 202 HE2 TYR 26 2HE TYR 26 -14.398 -0.216 -4.391 203 HH TYR 26 HH TYR 26 -15.501 -2.074 -6.318 204 H THR 27 H THR 27 -8.458 1.012 -2.488 205 HA THR 27 HA THR 27 -5.775 -0.086 -2.490 206 HB THR 27 HB THR 27 -6.751 2.307 -0.939 207 HG1 THR 27 1HG THR 27 -7.646 2.840 -2.788 208 1HG2 THR 27 1HG2 THR 27 -4.341 2.290 -2.687 209 2HG2 THR 27 2HG2 THR 27 -4.277 1.308 -1.224 210 3HG2 THR 27 3HG2 THR 27 -4.582 3.042 -1.110 211 H PHE 28 H PHE 28 -5.009 -1.415 -0.936 212 HA PHE 28 HA PHE 28 -6.352 -1.389 1.747 213 1HB PHE 28 2HB PHE 28 -5.250 -3.604 0.011 214 2HB PHE 28 1HB PHE 28 -5.693 -3.839 1.692 215 HD1 PHE 28 1HD PHE 28 -6.871 -5.076 -0.946 216 HD2 PHE 28 2HD PHE 28 -8.100 -1.891 1.661 217 HE1 PHE 28 1HE PHE 28 -9.233 -5.423 -1.630 218 HE2 PHE 28 2HE PHE 28 -10.456 -2.237 0.979 219 HZ PHE 28 HZ PHE 28 -11.024 -4.005 -0.665 220 H TRP 29 H TRP 29 -4.917 -2.209 3.498 221 HA TRP 29 HA TRP 29 -2.077 -1.369 3.083 222 1HB TRP 29 2HB TRP 29 -4.014 -1.512 5.396 223 2HB TRP 29 1HB TRP 29 -2.281 -1.548 5.720 224 HD1 TRP 29 HD TRP 29 -4.981 0.827 5.443 225 HE1 TRP 29 1HE TRP 29 -4.122 3.202 4.921 226 HE3 TRP 29 3HE TRP 29 -0.205 -0.260 3.998 227 HZ2 TRP 29 2HZ TRP 29 -1.725 4.470 4.011 228 HZ3 TRP 29 3HZ TRP 29 1.343 1.550 3.310 229 HH2 TRP 29 HH TRP 29 0.590 3.910 3.315 230 H VAL 30 H VAL 30 -0.705 -3.134 2.831 231 HA VAL 30 HA VAL 30 -1.437 -5.643 4.245 232 HB VAL 30 HB VAL 30 -2.448 -5.690 2.071 233 1HG1 VAL 30 1HG1 VAL 30 -1.457 -4.167 0.665 234 2HG1 VAL 30 2HG1 VAL 30 -0.605 -5.609 0.115 235 3HG1 VAL 30 3HG1 VAL 30 0.163 -4.517 1.267 236 1HG2 VAL 30 1HG2 VAL 30 -1.608 -7.691 1.293 237 2HG2 VAL 30 2HG2 VAL 30 -1.049 -7.662 2.967 238 3HG2 VAL 30 3HG2 VAL 30 0.059 -7.245 1.659 239 H HIS 31 H HIS 31 0.318 -7.233 4.163 240 HA HIS 31 HA HIS 31 2.830 -6.185 5.004 241 1HB HIS 31 2HB HIS 31 1.495 -8.605 4.957 242 2HB HIS 31 1HB HIS 31 2.843 -8.892 3.856 243 HD1 HIS 31 1HD HIS 31 2.324 -7.356 7.318 244 HD2 HIS 31 2HD HIS 31 5.153 -9.565 5.200 245 HE1 HIS 31 1HE HIS 31 4.197 -7.866 8.944 246 HA PRO 32 HA PRO 32 4.854 -5.371 1.180 247 1HB PRO 32 2HB PRO 32 7.446 -5.593 2.017 248 2HB PRO 32 1HB PRO 32 6.411 -4.217 2.433 249 1HG PRO 32 2HG PRO 32 7.137 -6.588 4.073 250 2HG PRO 32 1HG PRO 32 6.969 -4.893 4.555 251 1HD PRO 32 2HD PRO 32 5.062 -6.781 5.020 252 2HD PRO 32 1HD PRO 32 4.700 -5.053 4.810 253 H LYS 33 H LYS 33 3.924 -7.653 0.605 254 HA LYS 33 HA LYS 33 5.975 -9.238 -0.623 255 1HB LYS 33 2HB LYS 33 5.557 -11.238 0.991 256 2HB LYS 33 1HB LYS 33 6.614 -9.941 1.549 257 1HG LYS 33 2HG LYS 33 5.243 -9.567 3.293 258 2HG LYS 33 1HG LYS 33 3.918 -9.220 2.194 259 1HD LYS 33 2HD LYS 33 4.689 -12.072 2.754 260 2HD LYS 33 1HD LYS 33 3.672 -11.194 3.897 261 1HE LYS 33 2HE LYS 33 2.101 -10.651 2.018 262 2HE LYS 33 1HE LYS 33 3.081 -11.682 0.956 263 1HZ LYS 33 1HZ LYS 33 2.833 -13.448 2.698 264 2HZ LYS 33 2HZ LYS 33 1.404 -13.062 1.865 265 3HZ LYS 33 3HZ LYS 33 1.660 -12.473 3.438 266 H ALA 34 H ALA 34 2.723 -9.127 0.774 267 HA ALA 34 HA ALA 34 1.482 -11.300 -0.457 268 1HB ALA 34 1HB ALA 34 0.277 -9.949 1.083 269 2HB ALA 34 2HB ALA 34 -0.529 -9.675 -0.462 270 3HB ALA 34 3HB ALA 34 0.603 -8.478 0.167 271 H THR 35 H THR 35 2.414 -11.627 -2.580 272 HA THR 35 HA THR 35 2.734 -9.808 -4.668 273 HB THR 35 HB THR 35 3.462 -12.053 -4.936 274 HG1 THR 35 1HG THR 35 2.848 -12.119 -6.924 275 1HG2 THR 35 1HG2 THR 35 2.365 -13.696 -3.869 276 2HG2 THR 35 2HG2 THR 35 1.086 -13.597 -5.081 277 3HG2 THR 35 3HG2 THR 35 0.983 -12.631 -3.610 278 H LYS 36 H LYS 36 1.234 -9.857 -6.733 279 HA LYS 36 HA LYS 36 -1.262 -8.588 -6.044 280 1HB LYS 36 2HB LYS 36 0.362 -9.265 -8.393 281 2HB LYS 36 1HB LYS 36 -1.369 -9.298 -8.724 282 1HG LYS 36 2HG LYS 36 -1.205 -7.052 -8.955 283 2HG LYS 36 1HG LYS 36 -1.085 -7.010 -7.195 284 1HD LYS 36 2HD LYS 36 1.361 -7.145 -7.336 285 2HD LYS 36 1HD LYS 36 1.267 -7.247 -9.096 286 1HE LYS 36 2HE LYS 36 -0.258 -4.969 -8.332 287 2HE LYS 36 1HE LYS 36 1.286 -4.881 -7.461 288 1HZ LYS 36 1HZ LYS 36 1.575 -3.962 -9.652 289 2HZ LYS 36 2HZ LYS 36 0.919 -5.353 -10.374 290 3HZ LYS 36 3HZ LYS 36 2.412 -5.435 -9.566 291 H THR 37 H THR 37 -0.359 -11.884 -6.896 292 HA THR 37 HA THR 37 -3.051 -12.818 -7.450 293 HB THR 37 HB THR 37 -0.822 -14.543 -6.529 294 HG1 THR 37 1HG THR 37 -0.059 -14.322 -8.775 295 1HG2 THR 37 1HG2 THR 37 -2.873 -14.684 -8.737 296 2HG2 THR 37 2HG2 THR 37 -2.854 -15.626 -7.246 297 3HG2 THR 37 3HG2 THR 37 -1.621 -15.898 -8.476 298 H GLU 38 H GLU 38 -0.839 -13.303 -4.674 299 HA GLU 38 HA GLU 38 -2.604 -14.740 -3.005 300 1HB GLU 38 2HB GLU 38 -0.435 -12.704 -2.410 301 2HB GLU 38 1HB GLU 38 -1.158 -13.740 -1.181 302 1HG GLU 38 2HG GLU 38 -0.397 -15.736 -2.323 303 2HG GLU 38 1HG GLU 38 0.174 -14.784 -3.694 304 H ILE 39 H ILE 39 -2.203 -11.205 -3.347 305 HA ILE 39 HA ILE 39 -3.999 -10.374 -1.315 306 HB ILE 39 HB ILE 39 -3.112 -9.288 -3.997 307 1HG1 ILE 39 2HG1 ILE 39 -2.592 -8.416 -1.136 308 2HG1 ILE 39 1HG1 ILE 39 -1.494 -9.392 -2.113 309 1HG2 ILE 39 1HG2 ILE 39 -4.248 -7.236 -3.627 310 2HG2 ILE 39 2HG2 ILE 39 -4.672 -7.675 -1.974 311 3HG2 ILE 39 3HG2 ILE 39 -5.463 -8.478 -3.331 312 1HD1 ILE 39 1HD1 ILE 39 -2.447 -6.843 -3.322 313 2HD1 ILE 39 2HD1 ILE 39 -0.866 -7.617 -3.429 314 3HD1 ILE 39 3HD1 ILE 39 -1.307 -6.707 -1.984 315 H LYS 40 H LYS 40 -4.559 -11.608 -4.559 316 HA LYS 40 HA LYS 40 -7.287 -10.856 -4.934 317 1HB LYS 40 2HB LYS 40 -5.600 -11.786 -6.574 318 2HB LYS 40 1HB LYS 40 -5.851 -13.366 -5.838 319 1HG LYS 40 2HG LYS 40 -8.379 -12.904 -6.284 320 2HG LYS 40 1HG LYS 40 -7.782 -11.714 -7.440 321 1HD LYS 40 2HD LYS 40 -6.277 -13.630 -8.325 322 2HD LYS 40 1HD LYS 40 -7.369 -14.698 -7.443 323 1HE LYS 40 2HE LYS 40 -8.665 -14.633 -9.317 324 2HE LYS 40 1HE LYS 40 -9.106 -12.994 -8.798 325 1HZ LYS 40 1HZ LYS 40 -7.313 -12.077 -10.020 326 2HZ LYS 40 2HZ LYS 40 -8.112 -13.138 -11.079 327 3HZ LYS 40 3HZ LYS 40 -6.651 -13.603 -10.348 328 H ASN 41 H ASN 41 -5.888 -13.862 -3.615 329 HA ASN 41 HA ASN 41 -8.323 -15.246 -3.149 330 1HB ASN 41 2HB ASN 41 -5.522 -15.331 -2.072 331 2HB ASN 41 1HB ASN 41 -6.750 -16.410 -1.411 332 1HD2 ASN 41 1HD2 ASN 41 -4.506 -16.045 -3.965 333 2HD2 ASN 41 2HD2 ASN 41 -5.094 -17.280 -4.971 334 H ALA 42 H ALA 42 -6.600 -12.942 -1.013 335 HA ALA 42 HA ALA 42 -8.172 -13.568 1.320 336 1HB ALA 42 1HB ALA 42 -6.752 -12.095 2.291 337 2HB ALA 42 2HB ALA 42 -7.087 -10.841 1.091 338 3HB ALA 42 3HB ALA 42 -5.916 -12.114 0.735 339 H VAL 43 H VAL 43 -8.462 -10.806 -0.991 340 HA VAL 43 HA VAL 43 -10.828 -9.772 0.308 341 HB VAL 43 HB VAL 43 -10.999 -8.499 -1.890 342 1HG1 VAL 43 1HG1 VAL 43 -9.778 -7.533 -0.055 343 2HG1 VAL 43 2HG1 VAL 43 -8.796 -7.320 -1.505 344 3HG1 VAL 43 3HG1 VAL 43 -8.395 -8.589 -0.347 345 1HG2 VAL 43 1HG2 VAL 43 -9.810 -10.503 -3.086 346 2HG2 VAL 43 2HG2 VAL 43 -8.329 -9.718 -2.540 347 3HG2 VAL 43 3HG2 VAL 43 -9.444 -8.855 -3.599 348 H GLU 44 H GLU 44 -10.325 -12.115 -2.304 349 HA GLU 44 HA GLU 44 -12.982 -12.191 -3.334 350 1HB GLU 44 2HB GLU 44 -10.512 -13.585 -3.565 351 2HB GLU 44 1HB GLU 44 -11.757 -14.798 -3.265 352 1HG GLU 44 2HG GLU 44 -12.481 -12.678 -5.206 353 2HG GLU 44 1HG GLU 44 -11.218 -13.790 -5.732 354 H THR 45 H THR 45 -11.469 -14.264 -0.827 355 HA THR 45 HA THR 45 -14.028 -15.448 -0.083 356 HB THR 45 HB THR 45 -11.191 -15.575 0.809 357 HG1 THR 45 1HG THR 45 -11.479 -16.986 -0.743 358 1HG2 THR 45 1HG2 THR 45 -12.004 -17.390 2.429 359 2HG2 THR 45 2HG2 THR 45 -13.602 -16.665 2.247 360 3HG2 THR 45 3HG2 THR 45 -12.275 -15.716 2.916 361 H ALA 46 H ALA 46 -12.088 -12.737 0.954 362 HA ALA 46 HA ALA 46 -13.447 -12.452 3.548 363 1HB ALA 46 1HB ALA 46 -11.056 -11.879 3.117 364 2HB ALA 46 2HB ALA 46 -11.971 -10.499 3.724 365 3HB ALA 46 3HB ALA 46 -11.586 -10.614 2.007 366 H PHE 47 H PHE 47 -13.105 -10.197 0.773 367 HA PHE 47 HA PHE 47 -15.425 -8.651 1.549 368 1HB PHE 47 2HB PHE 47 -13.571 -8.839 -0.816 369 2HB PHE 47 1HB PHE 47 -14.989 -7.791 -0.888 370 HD1 PHE 47 1HD PHE 47 -15.261 -6.722 1.777 371 HD2 PHE 47 2HD PHE 47 -11.679 -7.499 -0.463 372 HE1 PHE 47 1HE PHE 47 -14.060 -5.002 3.100 373 HE2 PHE 47 2HE PHE 47 -10.479 -5.780 0.861 374 HZ PHE 47 HZ PHE 47 -11.669 -4.530 2.641 375 H LYS 48 H LYS 48 -14.950 -11.516 -0.351 376 HA LYS 48 HA LYS 48 -16.517 -12.942 -1.385 377 1HB LYS 48 2HB LYS 48 -17.883 -11.394 0.618 378 2HB LYS 48 1HB LYS 48 -18.957 -11.613 -0.764 379 1HG LYS 48 2HG LYS 48 -18.040 -14.110 -0.628 380 2HG LYS 48 1HG LYS 48 -17.768 -13.665 1.057 381 1HD LYS 48 2HD LYS 48 -20.168 -12.861 1.133 382 2HD LYS 48 1HD LYS 48 -20.389 -13.588 -0.458 383 1HE LYS 48 2HE LYS 48 -20.496 -15.691 0.408 384 2HE LYS 48 1HE LYS 48 -19.115 -15.401 1.484 385 1HZ LYS 48 1HZ LYS 48 -21.577 -13.927 2.027 386 2HZ LYS 48 2HZ LYS 48 -20.426 -14.549 3.111 387 3HZ LYS 48 3HZ LYS 48 -21.578 -15.580 2.405 388 H VAL 49 H VAL 49 -15.354 -10.909 -2.923 389 HA VAL 49 HA VAL 49 -17.594 -10.185 -4.762 390 HB VAL 49 HB VAL 49 -16.069 -8.491 -3.253 391 1HG1 VAL 49 1HG1 VAL 49 -14.237 -7.628 -4.352 392 2HG1 VAL 49 2HG1 VAL 49 -14.841 -8.087 -5.942 393 3HG1 VAL 49 3HG1 VAL 49 -14.128 -9.306 -4.884 394 1HG2 VAL 49 1HG2 VAL 49 -16.895 -6.744 -4.720 395 2HG2 VAL 49 2HG2 VAL 49 -18.114 -8.007 -4.549 396 3HG2 VAL 49 3HG2 VAL 49 -17.138 -7.916 -6.015 397 H LYS 50 H LYS 50 -15.958 -9.261 -6.844 398 HA LYS 50 HA LYS 50 -14.520 -11.771 -7.637 399 1HB LYS 50 2HB LYS 50 -16.720 -10.834 -8.778 400 2HB LYS 50 1HB LYS 50 -15.587 -9.745 -9.586 401 1HG LYS 50 2HG LYS 50 -14.922 -12.661 -9.495 402 2HG LYS 50 1HG LYS 50 -16.165 -12.124 -10.625 403 1HD LYS 50 2HD LYS 50 -14.281 -10.238 -11.089 404 2HD LYS 50 1HD LYS 50 -13.245 -11.590 -10.630 405 1HE LYS 50 2HE LYS 50 -14.984 -12.860 -12.305 406 2HE LYS 50 1HE LYS 50 -14.921 -11.251 -13.050 407 1HZ LYS 50 1HZ LYS 50 -12.391 -11.497 -12.534 408 2HZ LYS 50 2HZ LYS 50 -13.047 -12.202 -13.934 409 3HZ LYS 50 3HZ LYS 50 -12.737 -13.157 -12.563 410 H VAL 51 H VAL 51 -12.329 -11.413 -7.546 411 HA VAL 51 HA VAL 51 -11.207 -8.719 -7.703 412 HB VAL 51 HB VAL 51 -9.811 -11.407 -7.837 413 1HG1 VAL 51 1HG1 VAL 51 -8.117 -9.864 -8.076 414 2HG1 VAL 51 2HG1 VAL 51 -8.253 -9.823 -6.318 415 3HG1 VAL 51 3HG1 VAL 51 -9.036 -8.579 -7.292 416 1HG2 VAL 51 1HG2 VAL 51 -11.293 -10.067 -5.637 417 2HG2 VAL 51 2HG2 VAL 51 -9.706 -10.710 -5.215 418 3HG2 VAL 51 3HG2 VAL 51 -10.942 -11.778 -5.878 419 H VAL 52 H VAL 52 -10.896 -7.711 -9.621 420 HA VAL 52 HA VAL 52 -10.524 -9.366 -12.075 421 HB VAL 52 HB VAL 52 -11.773 -6.742 -11.425 422 1HG1 VAL 52 1HG1 VAL 52 -10.812 -7.759 -14.072 423 2HG1 VAL 52 2HG1 VAL 52 -10.725 -6.125 -13.412 424 3HG1 VAL 52 3HG1 VAL 52 -12.268 -6.765 -13.985 425 1HG2 VAL 52 1HG2 VAL 52 -13.636 -7.919 -12.762 426 2HG2 VAL 52 2HG2 VAL 52 -13.276 -8.528 -11.144 427 3HG2 VAL 52 3HG2 VAL 52 -12.661 -9.374 -12.563 428 H LYS 53 H LYS 53 -9.020 -7.105 -9.991 429 HA LYS 53 HA LYS 53 -6.532 -7.147 -11.440 430 1HB LYS 53 2HB LYS 53 -8.564 -5.214 -12.194 431 2HB LYS 53 1HB LYS 53 -7.102 -4.404 -11.629 432 1HG LYS 53 2HG LYS 53 -6.047 -6.393 -13.188 433 2HG LYS 53 1HG LYS 53 -7.533 -6.014 -14.061 434 1HD LYS 53 2HD LYS 53 -6.820 -3.533 -13.757 435 2HD LYS 53 1HD LYS 53 -5.223 -4.194 -13.404 436 1HE LYS 53 2HE LYS 53 -4.897 -4.220 -15.656 437 2HE LYS 53 1HE LYS 53 -6.035 -5.582 -15.695 438 1HZ LYS 53 1HZ LYS 53 -7.857 -3.913 -15.703 439 2HZ LYS 53 2HZ LYS 53 -6.896 -3.876 -17.105 440 3HZ LYS 53 3HZ LYS 53 -6.696 -2.693 -15.902 441 H VAL 54 H VAL 54 -5.222 -7.130 -9.666 442 HA VAL 54 HA VAL 54 -5.867 -5.217 -7.456 443 HB VAL 54 HB VAL 54 -5.090 -8.037 -7.610 444 1HG1 VAL 54 1HG1 VAL 54 -3.478 -6.158 -5.871 445 2HG1 VAL 54 2HG1 VAL 54 -2.884 -7.418 -6.953 446 3HG1 VAL 54 3HG1 VAL 54 -3.700 -7.858 -5.454 447 1HG2 VAL 54 1HG2 VAL 54 -7.013 -6.671 -6.375 448 2HG2 VAL 54 2HG2 VAL 54 -5.813 -6.615 -5.082 449 3HG2 VAL 54 3HG2 VAL 54 -6.379 -8.170 -5.696 450 H ASN 55 H ASN 55 -4.543 -3.456 -7.522 451 HA ASN 55 HA ASN 55 -1.737 -3.844 -8.497 452 1HB ASN 55 2HB ASN 55 -3.855 -2.073 -9.243 453 2HB ASN 55 1HB ASN 55 -2.580 -1.105 -8.501 454 1HD2 ASN 55 1HD2 ASN 55 -0.253 -1.762 -9.344 455 2HD2 ASN 55 2HD2 ASN 55 -0.131 -2.049 -11.013 456 H THR 56 H THR 56 -0.352 -3.815 -6.783 457 HA THR 56 HA THR 56 -1.031 -2.031 -4.481 458 HB THR 56 HB THR 56 -0.795 -3.923 -3.252 459 HG1 THR 56 1HG THR 56 1.339 -3.118 -3.053 460 1HG2 THR 56 1HG2 THR 56 0.321 -5.214 -5.758 461 2HG2 THR 56 2HG2 THR 56 -1.344 -5.300 -5.177 462 3HG2 THR 56 3HG2 THR 56 -0.051 -6.079 -4.266 463 H LEU 57 H LEU 57 0.773 -0.910 -3.485 464 HA LEU 57 HA LEU 57 3.317 -0.845 -5.037 465 1HB LEU 57 2HB LEU 57 3.040 1.731 -4.922 466 2HB LEU 57 1HB LEU 57 2.062 0.864 -6.106 467 HG LEU 57 HG LEU 57 0.744 0.979 -3.515 468 1HD1 LEU 57 1HD1 LEU 57 2.139 3.355 -4.357 469 2HD1 LEU 57 2HD1 LEU 57 1.123 3.121 -2.935 470 3HD1 LEU 57 3HD1 LEU 57 0.400 3.627 -4.462 471 1HD2 LEU 57 1HD2 LEU 57 -0.904 2.249 -5.199 472 2HD2 LEU 57 2HD2 LEU 57 -0.690 0.499 -5.263 473 3HD2 LEU 57 3HD2 LEU 57 0.178 1.535 -6.396 474 H HIS 58 H HIS 58 5.039 0.294 -3.801 475 HA HIS 58 HA HIS 58 4.804 -0.232 -0.923 476 1HB HIS 58 2HB HIS 58 6.794 -0.351 -2.796 477 2HB HIS 58 1HB HIS 58 7.159 1.188 -2.015 478 HD1 HIS 58 1HD HIS 58 9.289 -0.549 -1.291 479 HD2 HIS 58 2HD HIS 58 5.627 -0.962 0.662 480 HE1 HIS 58 1HE HIS 58 9.763 -1.791 0.866 481 H VAL 59 H VAL 59 4.140 1.252 0.516 482 HA VAL 59 HA VAL 59 4.367 4.156 -0.196 483 HB VAL 59 HB VAL 59 2.371 4.082 1.619 484 1HG1 VAL 59 1HG1 VAL 59 2.577 4.667 -1.010 485 2HG1 VAL 59 2HG1 VAL 59 1.037 4.654 -0.152 486 3HG1 VAL 59 3HG1 VAL 59 1.527 3.253 -1.104 487 1HG2 VAL 59 1HG2 VAL 59 2.623 1.548 1.752 488 2HG2 VAL 59 2HG2 VAL 59 2.005 1.489 0.101 489 3HG2 VAL 59 3HG2 VAL 59 0.997 2.131 1.397 490 H ARG 60 H ARG 60 5.984 5.027 1.047 491 HA ARG 60 HA ARG 60 6.509 3.899 3.753 492 1HB ARG 60 2HB ARG 60 8.077 6.011 2.262 493 2HB ARG 60 1HB ARG 60 8.657 4.893 3.497 494 1HG ARG 60 2HG ARG 60 7.893 4.274 0.638 495 2HG ARG 60 1HG ARG 60 9.442 4.000 1.434 496 1HD ARG 60 2HD ARG 60 7.991 2.478 3.052 497 2HD ARG 60 1HD ARG 60 6.899 2.419 1.654 498 HE ARG 60 HE ARG 60 8.497 1.029 0.624 499 1HH1 ARG 60 1HH2 ARG 60 9.861 1.871 3.526 500 2HH1 ARG 60 2HH2 ARG 60 11.507 1.839 2.987 501 1HH2 ARG 60 1HH1 ARG 60 10.680 1.535 -0.367 502 2HH2 ARG 60 2HH1 ARG 60 11.970 1.648 0.783 503 H GLY 61 H GLY 61 4.978 4.870 5.117 504 1HA GLY 61 2HA GLY 61 5.425 7.553 5.983 505 2HA GLY 61 1HA GLY 61 4.012 7.531 4.928 506 H LYS 62 H LYS 62 5.269 6.562 8.034 507 HA LYS 62 HA LYS 62 2.586 6.328 9.137 508 1HB LYS 62 2HB LYS 62 3.532 4.121 7.777 509 2HB LYS 62 1HB LYS 62 3.993 3.756 9.440 510 1HG LYS 62 2HG LYS 62 1.527 4.553 9.967 511 2HG LYS 62 1HG LYS 62 1.258 4.139 8.273 512 1HD LYS 62 2HD LYS 62 2.651 1.953 9.082 513 2HD LYS 62 1HD LYS 62 1.826 2.370 10.584 514 1HE LYS 62 2HE LYS 62 0.054 1.228 9.708 515 2HE LYS 62 1HE LYS 62 -0.177 2.654 8.677 516 1HZ LYS 62 1HZ LYS 62 1.858 0.671 7.934 517 2HZ LYS 62 2HZ LYS 62 0.951 1.710 6.940 518 3HZ LYS 62 3HZ LYS 62 0.231 0.323 7.605 519 H LYS 63 H LYS 63 6.052 5.627 9.487 520 HA LYS 63 HA LYS 63 6.008 5.513 12.390 521 1HB LYS 63 2HB LYS 63 8.086 5.771 10.217 522 2HB LYS 63 1HB LYS 63 8.544 5.834 11.919 523 1HG LYS 63 2HG LYS 63 6.730 3.635 11.483 524 2HG LYS 63 1HG LYS 63 8.082 3.522 10.357 525 1HD LYS 63 2HD LYS 63 9.135 4.298 12.891 526 2HD LYS 63 1HD LYS 63 8.059 2.924 13.155 527 1HE LYS 63 2HE LYS 63 9.254 1.590 11.511 528 2HE LYS 63 1HE LYS 63 10.249 2.984 11.048 529 1HZ LYS 63 1HZ LYS 63 10.939 3.137 13.413 530 2HZ LYS 63 2HZ LYS 63 11.469 1.717 12.644 531 3HZ LYS 63 3HZ LYS 63 10.146 1.667 13.708 532 H LYS 64 H LYS 64 6.639 7.173 13.850 533 HA LYS 64 HA LYS 64 5.794 9.769 13.555 534 1HB LYS 64 2HB LYS 64 7.986 8.429 15.092 535 2HB LYS 64 1HB LYS 64 7.872 10.187 15.169 536 1HG LYS 64 2HG LYS 64 6.051 10.101 16.500 537 2HG LYS 64 1HG LYS 64 5.261 8.918 15.457 538 1HD LYS 64 2HD LYS 64 6.793 7.163 16.468 539 2HD LYS 64 1HD LYS 64 7.279 8.381 17.649 540 1HE LYS 64 2HE LYS 64 5.497 7.632 18.866 541 2HE LYS 64 1HE LYS 64 4.507 8.544 17.709 542 1HZ LYS 64 1HZ LYS 64 4.106 6.689 16.437 543 2HZ LYS 64 2HZ LYS 64 4.128 5.999 17.989 544 3HZ LYS 64 3HZ LYS 64 5.489 5.869 16.979 545 H ARG 65 H ARG 65 6.604 11.685 12.664 546 HA ARG 65 HA ARG 65 9.295 11.621 11.366 547 1HB ARG 65 2HB ARG 65 6.788 12.610 9.985 548 2HB ARG 65 1HB ARG 65 8.359 12.267 9.260 549 1HG ARG 65 2HG ARG 65 7.904 9.842 10.245 550 2HG ARG 65 1HG ARG 65 6.222 10.365 10.139 551 1HD ARG 65 2HD ARG 65 7.876 10.950 7.743 552 2HD ARG 65 1HD ARG 65 7.537 9.234 8.047 553 HE ARG 65 HE ARG 65 5.104 9.886 8.199 554 1HH1 ARG 65 1HH1 ARG 65 6.980 10.804 5.667 555 2HH1 ARG 65 2HH1 ARG 65 5.999 12.133 5.146 556 1HH2 ARG 65 1HH2 ARG 65 4.000 12.112 7.979 557 2HH2 ARG 65 2HH2 ARG 65 4.312 12.874 6.455 558 H LEU 66 H LEU 66 6.401 13.610 12.064 559 HA LEU 66 HA LEU 66 6.225 15.836 12.825 560 1HB LEU 66 2HB LEU 66 8.548 14.564 14.016 561 2HB LEU 66 1HB LEU 66 8.804 16.302 13.851 562 HG LEU 66 HG LEU 66 7.723 15.733 16.011 563 1HD1 LEU 66 1HD1 LEU 66 7.253 17.884 14.742 564 2HD1 LEU 66 2HD1 LEU 66 6.004 17.408 15.893 565 3HD1 LEU 66 3HD1 LEU 66 5.767 17.129 14.168 566 1HD2 LEU 66 1HD2 LEU 66 6.038 14.165 14.200 567 2HD2 LEU 66 2HD2 LEU 66 5.093 15.165 15.303 568 3HD2 LEU 66 3HD2 LEU 66 6.259 14.005 15.942 569 H GLY 67 H GLY 67 6.757 15.649 10.127 570 1HA GLY 67 2HA GLY 67 7.857 16.680 8.296 571 2HA GLY 67 1HA GLY 67 7.500 18.118 9.249 572 H ARG 68 H ARG 68 9.970 15.616 8.721 573 HA ARG 68 HA ARG 68 12.024 17.635 9.548 574 1HB ARG 68 2HB ARG 68 11.397 14.926 10.588 575 2HB ARG 68 1HB ARG 68 13.110 15.277 10.358 576 1HG ARG 68 2HG ARG 68 12.157 17.596 11.534 577 2HG ARG 68 1HG ARG 68 11.249 16.331 12.360 578 1HD ARG 68 2HD ARG 68 13.757 15.229 12.333 579 2HD ARG 68 1HD ARG 68 14.133 16.955 12.502 580 HE ARG 68 HE ARG 68 12.040 16.593 14.264 581 1HH1 ARG 68 1HH1 ARG 68 13.547 13.789 14.080 582 2HH1 ARG 68 2HH1 ARG 68 14.432 13.872 15.566 583 1HH2 ARG 68 1HH2 ARG 68 13.839 17.255 16.040 584 2HH2 ARG 68 2HH2 ARG 68 14.598 15.834 16.675 585 H TYR 69 H TYR 69 14.029 17.436 8.405 586 HA TYR 69 HA TYR 69 14.058 16.781 5.721 587 1HB TYR 69 2HB TYR 69 16.453 16.821 5.938 588 2HB TYR 69 1HB TYR 69 15.813 17.917 7.163 589 HD1 TYR 69 1HD TYR 69 15.652 17.188 9.533 590 HD2 TYR 69 2HD TYR 69 17.568 14.792 6.537 591 HE1 TYR 69 1HE TYR 69 16.738 15.842 11.308 592 HE2 TYR 69 2HE TYR 69 18.659 13.443 8.308 593 HH TYR 69 HH TYR 69 19.212 13.478 10.567 594 H LEU 70 H LEU 70 13.578 14.865 4.722 595 HA LEU 70 HA LEU 70 13.242 12.531 4.458 596 1HB LEU 70 2HB LEU 70 15.993 13.329 4.884 597 2HB LEU 70 1HB LEU 70 15.732 11.650 5.354 598 HG LEU 70 HG LEU 70 14.311 11.983 2.949 599 1HD1 LEU 70 1HD1 LEU 70 16.670 13.725 3.100 600 2HD1 LEU 70 2HD1 LEU 70 15.361 13.709 1.918 601 3HD1 LEU 70 3HD1 LEU 70 16.723 12.601 1.741 602 1HD2 LEU 70 1HD2 LEU 70 16.966 10.826 2.616 603 2HD2 LEU 70 2HD2 LEU 70 15.390 10.037 2.549 604 3HD2 LEU 70 3HD2 LEU 70 16.197 10.264 4.101 605 H GLY 71 H GLY 71 11.734 12.032 6.083 606 1HA GLY 71 2HA GLY 71 12.545 11.564 8.846 607 2HA GLY 71 1HA GLY 71 10.948 11.235 8.170 608 H LYS 72 H LYS 72 11.271 9.207 9.530 609 HA LYS 72 HA LYS 72 12.899 7.172 8.046 610 1HB LYS 72 2HB LYS 72 12.774 5.977 10.280 611 2HB LYS 72 1HB LYS 72 13.634 7.517 10.324 612 1HG LYS 72 2HG LYS 72 10.777 7.877 10.754 613 2HG LYS 72 1HG LYS 72 11.480 6.783 11.946 614 1HD LYS 72 2HD LYS 72 13.296 8.488 12.324 615 2HD LYS 72 1HD LYS 72 12.396 9.594 11.287 616 1HE LYS 72 2HE LYS 72 10.932 10.093 12.949 617 2HE LYS 72 1HE LYS 72 10.705 8.378 13.352 618 1HZ LYS 72 1HZ LYS 72 11.824 9.307 15.187 619 2HZ LYS 72 2HZ LYS 72 12.902 10.176 14.204 620 3HZ LYS 72 3HZ LYS 72 13.021 8.485 14.311 621 H ARG 73 H ARG 73 10.983 6.984 6.548 622 HA ARG 73 HA ARG 73 8.442 6.003 7.595 623 1HB ARG 73 2HB ARG 73 9.658 6.032 4.812 624 2HB ARG 73 1HB ARG 73 7.953 5.758 5.178 625 1HG ARG 73 2HG ARG 73 7.605 7.966 5.852 626 2HG ARG 73 1HG ARG 73 9.311 8.230 6.210 627 1HD ARG 73 2HD ARG 73 8.801 7.552 3.388 628 2HD ARG 73 1HD ARG 73 8.074 9.087 3.906 629 HE ARG 73 HE ARG 73 10.528 9.310 5.016 630 1HH1 ARG 73 1HH1 ARG 73 9.327 8.732 1.857 631 2HH1 ARG 73 2HH1 ARG 73 10.845 9.014 1.075 632 1HH2 ARG 73 1HH2 ARG 73 12.590 9.462 4.037 633 2HH2 ARG 73 2HH2 ARG 73 12.693 9.428 2.309 634 HA PRO 74 HA PRO 74 9.644 1.762 7.871 635 1HB PRO 74 2HB PRO 74 7.147 0.665 7.946 636 2HB PRO 74 1HB PRO 74 7.863 1.518 9.328 637 1HG PRO 74 2HG PRO 74 5.867 2.476 7.341 638 2HG PRO 74 1HG PRO 74 5.963 2.781 9.082 639 1HD PRO 74 2HD PRO 74 6.754 4.579 7.184 640 2HD PRO 74 1HD PRO 74 7.432 4.518 8.827 641 H ASP 75 H ASP 75 8.333 -0.367 6.743 642 HA ASP 75 HA ASP 75 8.438 0.222 3.816 643 1HB ASP 75 2HB ASP 75 9.303 -2.087 5.557 644 2HB ASP 75 1HB ASP 75 9.012 -2.327 3.833 645 H ARG 76 H ARG 76 6.162 0.648 3.752 646 HA ARG 76 HA ARG 76 4.444 -1.782 4.146 647 1HB ARG 76 2HB ARG 76 4.097 0.011 5.825 648 2HB ARG 76 1HB ARG 76 3.769 1.153 4.521 649 1HG ARG 76 2HG ARG 76 1.676 0.247 5.512 650 2HG ARG 76 1HG ARG 76 1.839 -0.174 3.807 651 1HD ARG 76 2HD ARG 76 1.753 -2.375 4.318 652 2HD ARG 76 1HD ARG 76 3.133 -2.193 5.418 653 HE ARG 76 HE ARG 76 0.447 -1.311 6.353 654 1HH1 ARG 76 1HH2 ARG 76 1.574 -4.323 6.150 655 2HH1 ARG 76 2HH2 ARG 76 1.855 -4.591 7.838 656 1HH2 ARG 76 1HH1 ARG 76 1.500 -1.251 8.699 657 2HH2 ARG 76 2HH1 ARG 76 1.814 -2.852 9.281 658 H LYS 77 H LYS 77 2.957 -2.210 2.479 659 HA LYS 77 HA LYS 77 3.082 -0.396 0.093 660 1HB LYS 77 2HB LYS 77 3.251 -2.322 -1.280 661 2HB LYS 77 1HB LYS 77 4.305 -2.683 0.086 662 1HG LYS 77 2HG LYS 77 2.432 -3.926 1.164 663 2HG LYS 77 1HG LYS 77 1.444 -3.626 -0.266 664 1HD LYS 77 2HD LYS 77 4.045 -4.710 -0.987 665 2HD LYS 77 1HD LYS 77 3.186 -5.779 0.120 666 1HE LYS 77 2HE LYS 77 1.205 -4.960 -1.667 667 2HE LYS 77 1HE LYS 77 2.630 -5.233 -2.688 668 1HZ LYS 77 1HZ LYS 77 1.475 -7.314 -2.322 669 2HZ LYS 77 2HZ LYS 77 1.558 -7.100 -0.639 670 3HZ LYS 77 3HZ LYS 77 2.978 -7.349 -1.537 671 H LYS 78 H LYS 78 1.080 0.052 -0.897 672 HA LYS 78 HA LYS 78 -1.323 -0.916 0.575 673 1HB LYS 78 2HB LYS 78 -2.392 1.041 -0.450 674 2HB LYS 78 1HB LYS 78 -0.869 1.526 0.298 675 1HG LYS 78 2HG LYS 78 0.256 1.570 -1.817 676 2HG LYS 78 1HG LYS 78 -1.099 0.780 -2.624 677 1HD LYS 78 2HD LYS 78 -1.149 3.172 -3.113 678 2HD LYS 78 1HD LYS 78 -2.524 2.752 -2.091 679 1HE LYS 78 2HE LYS 78 -0.478 3.338 -0.269 680 2HE LYS 78 1HE LYS 78 -0.329 4.580 -1.528 681 1HZ LYS 78 1HZ LYS 78 -2.034 4.998 0.298 682 2HZ LYS 78 2HZ LYS 78 -2.958 3.777 -0.436 683 3HZ LYS 78 3HZ LYS 78 -2.561 5.182 -1.303 684 H ALA 79 H ALA 79 -3.099 -1.869 -0.627 685 HA ALA 79 HA ALA 79 -2.314 -2.866 -3.350 686 1HB ALA 79 1HB ALA 79 -3.045 -4.919 -2.693 687 2HB ALA 79 2HB ALA 79 -4.392 -4.236 -1.770 688 3HB ALA 79 3HB ALA 79 -2.769 -4.269 -1.072 689 H ILE 80 H ILE 80 -3.621 -2.276 -5.009 690 HA ILE 80 HA ILE 80 -6.315 -1.154 -4.363 691 HB ILE 80 HB ILE 80 -4.346 -0.847 -6.634 692 1HG1 ILE 80 2HG1 ILE 80 -4.510 1.517 -6.010 693 2HG1 ILE 80 1HG1 ILE 80 -5.723 1.136 -4.795 694 1HG2 ILE 80 1HG2 ILE 80 -7.294 -0.381 -6.569 695 2HG2 ILE 80 2HG2 ILE 80 -6.261 -0.842 -7.922 696 3HG2 ILE 80 3HG2 ILE 80 -6.294 0.832 -7.367 697 1HD1 ILE 80 1HD1 ILE 80 -3.061 -0.253 -4.723 698 2HD1 ILE 80 2HD1 ILE 80 -4.180 0.081 -3.401 699 3HD1 ILE 80 3HD1 ILE 80 -3.207 1.384 -4.082 700 H VAL 81 H VAL 81 -7.843 -2.737 -4.555 701 HA VAL 81 HA VAL 81 -7.494 -4.857 -6.631 702 HB VAL 81 HB VAL 81 -9.482 -4.661 -4.353 703 1HG1 VAL 81 1HG1 VAL 81 -10.240 -6.594 -5.219 704 2HG1 VAL 81 2HG1 VAL 81 -8.654 -7.312 -4.939 705 3HG1 VAL 81 3HG1 VAL 81 -9.011 -6.538 -6.483 706 1HG2 VAL 81 1HG2 VAL 81 -6.659 -4.865 -4.196 707 2HG2 VAL 81 2HG2 VAL 81 -7.294 -6.479 -3.875 708 3HG2 VAL 81 3HG2 VAL 81 -7.825 -5.111 -2.895 709 H GLN 82 H GLN 82 -8.930 -5.021 -8.348 710 HA GLN 82 HA GLN 82 -11.185 -3.042 -8.425 711 1HB GLN 82 2HB GLN 82 -9.526 -2.487 -10.045 712 2HB GLN 82 1HB GLN 82 -9.326 -4.165 -10.532 713 1HG GLN 82 2HG GLN 82 -10.664 -3.079 -12.222 714 2HG GLN 82 1HG GLN 82 -11.736 -4.128 -11.295 715 1HE2 GLN 82 1HE2 GLN 82 -13.528 -2.632 -12.008 716 2HE2 GLN 82 2HE2 GLN 82 -13.758 -1.170 -11.178 717 H VAL 83 H VAL 83 -13.159 -3.814 -9.406 718 HA VAL 83 HA VAL 83 -13.250 -6.780 -9.669 719 HB VAL 83 HB VAL 83 -15.293 -6.815 -8.465 720 1HG1 VAL 83 1HG1 VAL 83 -13.180 -6.261 -7.140 721 2HG1 VAL 83 2HG1 VAL 83 -14.706 -5.862 -6.352 722 3HG1 VAL 83 3HG1 VAL 83 -13.747 -4.592 -7.113 723 1HG2 VAL 83 1HG2 VAL 83 -15.317 -3.808 -8.868 724 2HG2 VAL 83 2HG2 VAL 83 -16.451 -4.670 -7.825 725 3HG2 VAL 83 3HG2 VAL 83 -16.437 -4.985 -9.563 726 H ALA 84 H ALA 84 -14.882 -7.575 -11.117 727 HA ALA 84 HA ALA 84 -15.007 -6.516 -13.669 728 1HB ALA 84 1HB ALA 84 -17.493 -7.792 -12.767 729 2HB ALA 84 2HB ALA 84 -16.036 -8.648 -12.257 730 3HB ALA 84 3HB ALA 84 -16.325 -8.334 -13.973 731 HA PRO 85 HA PRO 85 -17.932 -3.260 -13.806 732 1HB PRO 85 2HB PRO 85 -19.594 -3.946 -15.870 733 2HB PRO 85 1HB PRO 85 -17.924 -3.430 -16.114 734 1HG PRO 85 2HG PRO 85 -19.067 -6.137 -16.149 735 2HG PRO 85 1HG PRO 85 -17.783 -5.449 -17.139 736 1HD PRO 85 2HD PRO 85 -17.344 -7.119 -15.005 737 2HD PRO 85 1HD PRO 85 -16.165 -5.935 -15.600 738 H GLY 86 H GLY 86 -19.858 -2.686 -12.799 739 1HA GLY 86 2HA GLY 86 -22.091 -2.971 -12.003 740 2HA GLY 86 1HA GLY 86 -22.040 -4.651 -12.538 741 H GLN 87 H GLN 87 -19.324 -4.871 -11.125 742 HA GLN 87 HA GLN 87 -20.442 -5.669 -8.510 743 1HB GLN 87 2HB GLN 87 -17.884 -6.055 -10.057 744 2HB GLN 87 1HB GLN 87 -17.965 -6.488 -8.348 745 1HG GLN 87 2HG GLN 87 -20.057 -7.828 -8.923 746 2HG GLN 87 1HG GLN 87 -19.625 -7.590 -10.618 747 1HE2 GLN 87 1HE2 GLN 87 -18.926 -9.711 -11.157 748 2HE2 GLN 87 2HE2 GLN 87 -17.637 -10.497 -10.381 749 H LYS 88 H LYS 88 -19.111 -5.109 -6.522 750 HA LYS 88 HA LYS 88 -17.278 -2.906 -6.477 751 1HB LYS 88 2HB LYS 88 -18.927 -1.189 -5.626 752 2HB LYS 88 1HB LYS 88 -19.169 -1.640 -7.314 753 1HG LYS 88 2HG LYS 88 -20.717 -3.507 -6.083 754 2HG LYS 88 1HG LYS 88 -20.886 -2.159 -4.959 755 1HD LYS 88 2HD LYS 88 -21.236 -0.782 -7.209 756 2HD LYS 88 1HD LYS 88 -21.735 -2.360 -7.820 757 1HE LYS 88 2HE LYS 88 -23.775 -1.654 -6.978 758 2HE LYS 88 1HE LYS 88 -23.107 -2.343 -5.485 759 1HZ LYS 88 1HZ LYS 88 -23.251 0.469 -6.327 760 2HZ LYS 88 2HZ LYS 88 -21.965 -0.024 -5.330 761 3HZ LYS 88 3HZ LYS 88 -23.571 -0.214 -4.807 762 H ILE 89 H ILE 89 -16.267 -4.064 -4.773 763 HA ILE 89 HA ILE 89 -17.358 -5.409 -2.610 764 HB ILE 89 HB ILE 89 -14.963 -3.581 -2.883 765 1HG1 ILE 89 2HG1 ILE 89 -15.307 -6.595 -2.723 766 2HG1 ILE 89 1HG1 ILE 89 -14.962 -5.674 -4.187 767 1HG2 ILE 89 1HG2 ILE 89 -14.851 -3.545 -0.622 768 2HG2 ILE 89 2HG2 ILE 89 -14.431 -5.254 -0.742 769 3HG2 ILE 89 3HG2 ILE 89 -16.106 -4.774 -0.459 770 1HD1 ILE 89 1HD1 ILE 89 -13.133 -6.576 -2.106 771 2HD1 ILE 89 2HD1 ILE 89 -13.006 -4.838 -2.375 772 3HD1 ILE 89 3HD1 ILE 89 -12.773 -5.959 -3.718 773 H GLU 90 H GLU 90 -19.173 -4.627 -1.577 774 HA GLU 90 HA GLU 90 -19.897 -1.950 -1.084 775 1HB GLU 90 2HB GLU 90 -20.467 -4.476 0.494 776 2HB GLU 90 1HB GLU 90 -21.411 -2.989 0.587 777 1HG GLU 90 2HG GLU 90 -20.965 -4.043 -2.145 778 2HG GLU 90 1HG GLU 90 -22.002 -5.027 -1.111 779 H ALA 91 H ALA 91 -17.389 -3.758 0.452 780 HA ALA 91 HA ALA 91 -17.403 -2.775 3.094 781 1HB ALA 91 1HB ALA 91 -15.898 -4.501 2.119 782 2HB ALA 91 2HB ALA 91 -15.000 -3.270 3.008 783 3HB ALA 91 3HB ALA 91 -15.041 -3.232 1.246 784 H LEU 92 H LEU 92 -16.243 -1.181 0.123 785 HA LEU 92 HA LEU 92 -15.571 1.247 1.746 786 1HB LEU 92 2HB LEU 92 -14.939 1.088 -1.158 787 2HB LEU 92 1HB LEU 92 -13.943 1.672 0.171 788 HG LEU 92 HG LEU 92 -14.483 -1.213 -0.568 789 1HD1 LEU 92 1HD1 LEU 92 -12.360 -1.253 -1.435 790 2HD1 LEU 92 2HD1 LEU 92 -11.744 -0.101 -0.250 791 3HD1 LEU 92 3HD1 LEU 92 -12.656 0.472 -1.647 792 1HD2 LEU 92 1HD2 LEU 92 -12.509 -1.146 1.389 793 2HD2 LEU 92 2HD2 LEU 92 -14.189 -1.617 1.644 794 3HD2 LEU 92 3HD2 LEU 92 -13.682 0.044 1.954 795 H GLU 93 H GLU 93 -17.726 -0.023 -0.675 796 HA GLU 93 HA GLU 93 -18.627 2.235 -2.032 797 1HB GLU 93 2HB GLU 93 -20.162 -0.116 -0.884 798 2HB GLU 93 1HB GLU 93 -20.789 0.963 -2.131 799 1HG GLU 93 2HG GLU 93 -18.181 -0.544 -2.426 800 2HG GLU 93 1HG GLU 93 -19.726 -1.180 -2.993 801 H GLY 94 H GLY 94 -19.686 1.098 1.193 802 1HA GLY 94 2HA GLY 94 -21.239 3.611 1.526 803 2HA GLY 94 1HA GLY 94 -21.366 2.188 2.559 804 H LEU 95 H LEU 95 -18.131 2.652 2.018 805 HA LEU 95 HA LEU 95 -17.686 3.643 4.729 806 1HB LEU 95 2HB LEU 95 -16.324 1.925 3.483 807 2HB LEU 95 1HB LEU 95 -15.748 3.220 2.432 808 HG LEU 95 HG LEU 95 -14.683 4.350 4.257 809 1HD1 LEU 95 1HD1 LEU 95 -16.179 2.361 5.982 810 2HD1 LEU 95 2HD1 LEU 95 -16.332 4.117 5.989 811 3HD1 LEU 95 3HD1 LEU 95 -14.859 3.359 6.592 812 1HD2 LEU 95 1HD2 LEU 95 -13.087 2.670 5.020 813 2HD2 LEU 95 2HD2 LEU 95 -13.515 2.327 3.344 814 3HD2 LEU 95 3HD2 LEU 95 -14.224 1.375 4.649 815 H ILE 96 H ILE 96 -18.584 5.255 1.998 816 HA ILE 96 HA ILE 96 -16.710 7.494 2.048 817 HB ILE 96 HB ILE 96 -19.388 6.901 0.776 818 1HG1 ILE 96 2HG1 ILE 96 -16.742 7.472 -0.561 819 2HG1 ILE 96 1HG1 ILE 96 -17.129 5.857 0.036 820 1HG2 ILE 96 1HG2 ILE 96 -17.914 9.469 1.021 821 2HG2 ILE 96 2HG2 ILE 96 -19.636 9.179 0.769 822 3HG2 ILE 96 3HG2 ILE 96 -18.515 9.068 -0.588 823 1HD1 ILE 96 1HD1 ILE 96 -19.411 6.370 -1.296 824 2HD1 ILE 96 2HD1 ILE 96 -18.008 5.637 -2.074 825 3HD1 ILE 96 3HD1 ILE 96 -18.308 7.368 -2.243 Start of MODEL 6 1 1H MET 1 1HT MET 1 -7.107 -19.939 7.511 2 2H MET 1 2HT MET 1 -6.216 -18.554 7.932 3 3H MET 1 3HT MET 1 -5.543 -19.718 6.893 4 HA MET 1 HA MET 1 -7.159 -19.195 5.179 5 1HB MET 1 2HB MET 1 -8.667 -18.508 7.333 6 2HB MET 1 1HB MET 1 -8.178 -16.906 6.778 7 1HG MET 1 2HG MET 1 -9.710 -17.013 5.140 8 2HG MET 1 1HG MET 1 -8.893 -18.429 4.478 9 1HE MET 1 1HE MET 1 -11.848 -17.940 4.069 10 2HE MET 1 2HE MET 1 -12.615 -19.479 4.454 11 3HE MET 1 3HE MET 1 -11.105 -19.458 3.546 12 H LYS 2 H LYS 2 -5.634 -18.264 3.834 13 HA LYS 2 HA LYS 2 -4.166 -15.855 4.790 14 1HB LYS 2 2HB LYS 2 -3.504 -16.749 2.108 15 2HB LYS 2 1HB LYS 2 -2.473 -16.648 3.512 16 1HG LYS 2 2HG LYS 2 -3.492 -18.834 4.307 17 2HG LYS 2 1HG LYS 2 -4.262 -18.957 2.725 18 1HD LYS 2 2HD LYS 2 -1.952 -18.695 1.701 19 2HD LYS 2 1HD LYS 2 -1.296 -18.885 3.327 20 1HE LYS 2 2HE LYS 2 -3.222 -20.973 2.883 21 2HE LYS 2 1HE LYS 2 -2.070 -20.954 1.531 22 1HZ LYS 2 1HZ LYS 2 -1.021 -20.538 4.230 23 2HZ LYS 2 2HZ LYS 2 -0.301 -21.305 2.894 24 3HZ LYS 2 3HZ LYS 2 -1.481 -22.116 3.811 25 H THR 3 H THR 3 -6.096 -14.477 4.607 26 HA THR 3 HA THR 3 -6.540 -13.631 1.777 27 HB THR 3 HB THR 3 -8.542 -14.743 2.206 28 HG1 THR 3 1HG THR 3 -10.014 -13.058 3.055 29 1HG2 THR 3 1HG2 THR 3 -9.590 -14.314 4.642 30 2HG2 THR 3 2HG2 THR 3 -7.885 -14.117 5.046 31 3HG2 THR 3 3HG2 THR 3 -8.453 -15.626 4.331 32 H ALA 4 H ALA 4 -8.280 -12.239 4.466 33 HA ALA 4 HA ALA 4 -7.124 -9.615 3.936 34 1HB ALA 4 1HB ALA 4 -9.415 -9.699 4.513 35 2HB ALA 4 2HB ALA 4 -8.646 -9.140 5.999 36 3HB ALA 4 3HB ALA 4 -9.128 -10.831 5.836 37 H TYR 5 H TYR 5 -6.409 -12.256 5.994 38 HA TYR 5 HA TYR 5 -5.194 -11.143 8.281 39 1HB TYR 5 2HB TYR 5 -4.128 -13.296 8.379 40 2HB TYR 5 1HB TYR 5 -5.638 -13.576 7.510 41 HD1 TYR 5 1HD TYR 5 -2.559 -14.822 7.422 42 HD2 TYR 5 2HD TYR 5 -5.041 -12.462 4.854 43 HE1 TYR 5 1HE TYR 5 -1.262 -15.573 5.438 44 HE2 TYR 5 2HE TYR 5 -3.802 -13.208 2.899 45 HH TYR 5 HH TYR 5 -0.836 -15.084 3.228 46 H ASP 6 H ASP 6 -2.488 -12.376 7.601 47 HA ASP 6 HA ASP 6 -0.701 -10.383 7.393 48 1HB ASP 6 2HB ASP 6 -0.857 -12.997 5.865 49 2HB ASP 6 1HB ASP 6 0.611 -12.014 5.917 50 H VAL 7 H VAL 7 -2.011 -11.847 4.381 51 HA VAL 7 HA VAL 7 -0.862 -10.198 2.491 52 HB VAL 7 HB VAL 7 -3.632 -11.402 2.664 53 1HG1 VAL 7 1HG1 VAL 7 -2.538 -9.602 0.677 54 2HG1 VAL 7 2HG1 VAL 7 -4.158 -10.294 0.787 55 3HG1 VAL 7 3HG1 VAL 7 -2.870 -11.193 -0.014 56 1HG2 VAL 7 1HG2 VAL 7 -1.265 -12.267 1.012 57 2HG2 VAL 7 2HG2 VAL 7 -2.709 -13.194 1.425 58 3HG2 VAL 7 3HG2 VAL 7 -1.501 -12.827 2.667 59 H ILE 8 H ILE 8 -4.235 -9.440 2.464 60 HA ILE 8 HA ILE 8 -3.585 -6.571 2.552 61 HB ILE 8 HB ILE 8 -6.163 -8.113 2.111 62 1HG1 ILE 8 2HG1 ILE 8 -4.483 -6.823 -0.027 63 2HG1 ILE 8 1HG1 ILE 8 -4.104 -8.447 0.536 64 1HG2 ILE 8 1HG2 ILE 8 -6.005 -5.593 0.739 65 2HG2 ILE 8 2HG2 ILE 8 -5.651 -5.322 2.446 66 3HG2 ILE 8 3HG2 ILE 8 -7.166 -6.091 1.971 67 1HD1 ILE 8 1HD1 ILE 8 -6.663 -8.883 0.172 68 2HD1 ILE 8 2HD1 ILE 8 -5.584 -8.886 -1.220 69 3HD1 ILE 8 3HD1 ILE 8 -6.569 -7.466 -0.873 70 H LEU 9 H LEU 9 -3.329 -5.858 4.684 71 HA LEU 9 HA LEU 9 -4.869 -6.859 6.918 72 1HB LEU 9 2HB LEU 9 -3.063 -4.503 6.370 73 2HB LEU 9 1HB LEU 9 -3.849 -4.700 7.937 74 HG LEU 9 HG LEU 9 -2.413 -7.051 6.772 75 1HD1 LEU 9 1HD1 LEU 9 -0.557 -5.726 6.529 76 2HD1 LEU 9 2HD1 LEU 9 -0.445 -5.961 8.274 77 3HD1 LEU 9 3HD1 LEU 9 -1.171 -4.489 7.627 78 1HD2 LEU 9 1HD2 LEU 9 -3.614 -7.374 8.841 79 2HD2 LEU 9 2HD2 LEU 9 -2.901 -5.922 9.543 80 3HD2 LEU 9 3HD2 LEU 9 -1.895 -7.338 9.236 81 H ALA 10 H ALA 10 -4.849 -3.397 6.665 82 HA ALA 10 HA ALA 10 -7.838 -3.430 6.519 83 1HB ALA 10 1HB ALA 10 -6.509 -2.570 8.543 84 2HB ALA 10 2HB ALA 10 -7.723 -1.473 7.887 85 3HB ALA 10 3HB ALA 10 -6.017 -1.227 7.513 86 HA PRO 11 HA PRO 11 -7.709 -1.146 2.769 87 1HB PRO 11 2HB PRO 11 -9.972 0.368 3.006 88 2HB PRO 11 1HB PRO 11 -10.009 -1.380 2.699 89 1HG PRO 11 2HG PRO 11 -10.464 0.107 5.230 90 2HG PRO 11 1HG PRO 11 -11.243 -1.363 4.627 91 1HD PRO 11 2HD PRO 11 -9.270 -1.324 6.541 92 2HD PRO 11 1HD PRO 11 -9.638 -2.720 5.504 93 H VAL 12 H VAL 12 -7.768 1.210 1.937 94 HA VAL 12 HA VAL 12 -6.572 3.012 4.014 95 HB VAL 12 HB VAL 12 -5.111 3.790 2.333 96 1HG1 VAL 12 1HG1 VAL 12 -5.084 1.229 1.003 97 2HG1 VAL 12 2HG1 VAL 12 -5.378 1.003 2.727 98 3HG1 VAL 12 3HG1 VAL 12 -3.944 1.873 2.185 99 1HG2 VAL 12 1HG2 VAL 12 -5.479 3.415 -0.069 100 2HG2 VAL 12 2HG2 VAL 12 -6.874 4.224 0.648 101 3HG2 VAL 12 3HG2 VAL 12 -6.943 2.497 0.290 102 H LEU 13 H LEU 13 -7.603 4.969 4.337 103 HA LEU 13 HA LEU 13 -9.881 5.623 2.522 104 1HB LEU 13 2HB LEU 13 -9.119 6.336 5.362 105 2HB LEU 13 1HB LEU 13 -10.441 7.137 4.515 106 HG LEU 13 HG LEU 13 -11.439 5.339 5.737 107 1HD1 LEU 13 1HD1 LEU 13 -11.900 5.613 3.166 108 2HD1 LEU 13 2HD1 LEU 13 -12.537 4.202 4.011 109 3HD1 LEU 13 3HD1 LEU 13 -11.071 4.060 3.040 110 1HD2 LEU 13 1HD2 LEU 13 -10.535 3.206 5.970 111 2HD2 LEU 13 2HD2 LEU 13 -9.067 4.174 5.844 112 3HD2 LEU 13 3HD2 LEU 13 -9.666 3.295 4.438 113 H SER 14 H SER 14 -9.111 6.930 0.887 114 HA SER 14 HA SER 14 -8.104 9.588 1.572 115 1HB SER 14 2HB SER 14 -6.191 8.237 -0.202 116 2HB SER 14 1HB SER 14 -5.885 9.245 1.208 117 HG SER 14 HG SER 14 -6.382 6.480 1.035 118 H GLU 15 H GLU 15 -8.529 11.002 -0.139 119 HA GLU 15 HA GLU 15 -10.345 10.484 -2.151 120 1HB GLU 15 2HB GLU 15 -8.573 12.531 -1.387 121 2HB GLU 15 1HB GLU 15 -8.241 12.253 -3.098 122 1HG GLU 15 2HG GLU 15 -11.003 12.167 -2.994 123 2HG GLU 15 1HG GLU 15 -10.609 13.428 -1.825 124 H LYS 16 H LYS 16 -6.810 10.029 -2.358 125 HA LYS 16 HA LYS 16 -6.566 9.358 -5.072 126 1HB LYS 16 2HB LYS 16 -4.725 9.707 -3.456 127 2HB LYS 16 1HB LYS 16 -5.155 8.198 -2.649 128 1HG LYS 16 2HG LYS 16 -4.715 8.028 -5.582 129 2HG LYS 16 1HG LYS 16 -3.283 8.339 -4.599 130 1HD LYS 16 2HD LYS 16 -3.613 6.351 -3.315 131 2HD LYS 16 1HD LYS 16 -5.240 6.124 -3.957 132 1HE LYS 16 2HE LYS 16 -3.080 6.255 -5.993 133 2HE LYS 16 1HE LYS 16 -3.085 4.813 -4.957 134 1HZ LYS 16 1HZ LYS 16 -5.202 5.820 -6.740 135 2HZ LYS 16 2HZ LYS 16 -5.623 4.902 -5.374 136 3HZ LYS 16 3HZ LYS 16 -4.613 4.239 -6.568 137 H ALA 17 H ALA 17 -7.960 7.529 -2.439 138 HA ALA 17 HA ALA 17 -8.065 5.055 -4.100 139 1HB ALA 17 1HB ALA 17 -9.097 4.321 -1.752 140 2HB ALA 17 2HB ALA 17 -8.296 5.793 -1.204 141 3HB ALA 17 3HB ALA 17 -7.356 4.504 -1.955 142 H TYR 18 H TYR 18 -10.244 7.108 -2.115 143 HA TYR 18 HA TYR 18 -12.701 5.930 -2.862 144 1HB TYR 18 2HB TYR 18 -11.707 8.549 -1.859 145 2HB TYR 18 1HB TYR 18 -13.338 8.545 -2.535 146 HD1 TYR 18 1HD TYR 18 -11.809 8.428 0.476 147 HD2 TYR 18 2HD TYR 18 -14.473 6.021 -1.880 148 HE1 TYR 18 1HE TYR 18 -12.664 7.355 2.543 149 HE2 TYR 18 2HE TYR 18 -15.331 4.945 0.188 150 HH TYR 18 HH TYR 18 -14.724 6.176 3.284 151 H ALA 19 H ALA 19 -10.939 8.628 -4.423 152 HA ALA 19 HA ALA 19 -12.809 8.941 -6.596 153 1HB ALA 19 1HB ALA 19 -9.844 9.583 -6.415 154 2HB ALA 19 2HB ALA 19 -11.130 10.621 -5.801 155 3HB ALA 19 3HB ALA 19 -10.997 10.314 -7.532 156 H GLY 20 H GLY 20 -10.612 6.503 -5.811 157 1HA GLY 20 2HA GLY 20 -10.194 5.643 -8.625 158 2HA GLY 20 1HA GLY 20 -9.362 4.976 -7.213 159 H PHE 21 H PHE 21 -11.561 4.670 -5.509 160 HA PHE 21 HA PHE 21 -12.588 2.118 -6.069 161 1HB PHE 21 2HB PHE 21 -13.718 4.537 -4.621 162 2HB PHE 21 1HB PHE 21 -14.504 2.967 -4.573 163 HD1 PHE 21 1HD PHE 21 -14.218 3.005 -2.097 164 HD2 PHE 21 2HD PHE 21 -10.849 3.001 -4.764 165 HE1 PHE 21 1HE PHE 21 -12.736 2.341 -0.227 166 HE2 PHE 21 2HE PHE 21 -9.371 2.339 -2.893 167 HZ PHE 21 HZ PHE 21 -10.312 2.007 -0.624 168 H ALA 22 H ALA 22 -13.471 5.266 -7.229 169 HA ALA 22 HA ALA 22 -15.994 5.219 -8.179 170 1HB ALA 22 1HB ALA 22 -13.779 5.903 -10.082 171 2HB ALA 22 2HB ALA 22 -13.917 6.788 -8.563 172 3HB ALA 22 3HB ALA 22 -15.248 6.809 -9.720 173 H GLU 23 H GLU 23 -13.258 3.520 -9.713 174 HA GLU 23 HA GLU 23 -15.094 2.289 -11.680 175 1HB GLU 23 2HB GLU 23 -12.787 3.308 -12.150 176 2HB GLU 23 1HB GLU 23 -12.116 1.890 -11.342 177 1HG GLU 23 2HG GLU 23 -12.444 0.613 -13.167 178 2HG GLU 23 1HG GLU 23 -14.135 1.103 -13.267 179 H GLY 24 H GLY 24 -13.564 1.520 -8.673 180 1HA GLY 24 2HA GLY 24 -14.602 -0.500 -7.570 181 2HA GLY 24 1HA GLY 24 -14.233 -1.330 -9.073 182 H LYS 25 H LYS 25 -11.782 0.843 -8.485 183 HA LYS 25 HA LYS 25 -9.922 -1.306 -7.741 184 1HB LYS 25 2HB LYS 25 -9.541 1.690 -8.103 185 2HB LYS 25 1HB LYS 25 -8.265 0.475 -8.121 186 1HG LYS 25 2HG LYS 25 -9.530 -0.612 -10.063 187 2HG LYS 25 1HG LYS 25 -10.482 0.870 -10.136 188 1HD LYS 25 2HD LYS 25 -8.628 2.184 -10.731 189 2HD LYS 25 1HD LYS 25 -7.474 0.989 -10.138 190 1HE LYS 25 2HE LYS 25 -7.521 -0.203 -12.092 191 2HE LYS 25 1HE LYS 25 -9.267 0.035 -12.303 192 1HZ LYS 25 1HZ LYS 25 -7.397 2.309 -12.512 193 2HZ LYS 25 2HZ LYS 25 -8.966 2.159 -13.146 194 3HZ LYS 25 3HZ LYS 25 -7.677 1.307 -13.852 195 H TYR 26 H TYR 26 -9.333 -1.735 -5.602 196 HA TYR 26 HA TYR 26 -9.848 0.442 -3.615 197 1HB TYR 26 2HB TYR 26 -10.269 -2.543 -3.331 198 2HB TYR 26 1HB TYR 26 -10.619 -1.338 -2.092 199 HD1 TYR 26 1HD TYR 26 -12.165 0.667 -2.889 200 HD2 TYR 26 2HD TYR 26 -11.985 -3.189 -4.774 201 HE1 TYR 26 1HE TYR 26 -14.399 1.055 -3.895 202 HE2 TYR 26 2HE TYR 26 -14.218 -2.802 -5.780 203 HH TYR 26 HH TYR 26 -15.852 0.314 -5.483 204 H THR 27 H THR 27 -7.961 1.106 -2.824 205 HA THR 27 HA THR 27 -5.545 -0.514 -2.744 206 HB THR 27 HB THR 27 -6.074 2.187 -1.509 207 HG1 THR 27 1HG THR 27 -6.742 2.629 -3.471 208 1HG2 THR 27 1HG2 THR 27 -3.643 0.998 -2.867 209 2HG2 THR 27 2HG2 THR 27 -3.877 1.114 -1.122 210 3HG2 THR 27 3HG2 THR 27 -3.735 2.580 -2.092 211 H PHE 28 H PHE 28 -5.048 -1.823 -1.062 212 HA PHE 28 HA PHE 28 -6.239 -1.212 1.627 213 1HB PHE 28 2HB PHE 28 -5.433 -3.874 0.426 214 2HB PHE 28 1HB PHE 28 -6.299 -3.620 1.931 215 HD1 PHE 28 1HD PHE 28 -6.585 -4.109 -1.597 216 HD2 PHE 28 2HD PHE 28 -8.598 -2.463 1.822 217 HE1 PHE 28 1HE PHE 28 -8.746 -4.202 -2.819 218 HE2 PHE 28 2HE PHE 28 -10.753 -2.552 0.601 219 HZ PHE 28 HZ PHE 28 -10.827 -3.423 -1.718 220 H TRP 29 H TRP 29 -4.808 -1.488 3.431 221 HA TRP 29 HA TRP 29 -1.937 -1.286 2.871 222 1HB TRP 29 2HB TRP 29 -3.640 -1.528 5.380 223 2HB TRP 29 1HB TRP 29 -1.890 -1.319 5.420 224 HD1 TRP 29 HD TRP 29 -5.117 0.537 4.833 225 HE1 TRP 29 1HE TRP 29 -4.621 3.045 4.504 226 HE3 TRP 29 3HE TRP 29 -0.022 0.393 4.479 227 HZ2 TRP 29 2HZ TRP 29 -2.365 4.763 4.141 228 HZ3 TRP 29 3HZ TRP 29 1.274 2.480 4.143 229 HH2 TRP 29 HH TRP 29 0.109 4.662 3.974 230 H VAL 30 H VAL 30 -0.720 -3.133 2.532 231 HA VAL 30 HA VAL 30 -1.673 -5.668 3.826 232 HB VAL 30 HB VAL 30 -1.509 -6.774 1.720 233 1HG1 VAL 30 1HG1 VAL 30 -2.299 -4.096 0.686 234 2HG1 VAL 30 2HG1 VAL 30 -3.271 -4.822 1.968 235 3HG1 VAL 30 3HG1 VAL 30 -3.064 -5.664 0.429 236 1HG2 VAL 30 1HG2 VAL 30 0.279 -4.477 1.072 237 2HG2 VAL 30 2HG2 VAL 30 -0.602 -5.243 -0.249 238 3HG2 VAL 30 3HG2 VAL 30 0.503 -6.197 0.745 239 H HIS 31 H HIS 31 0.004 -7.231 4.205 240 HA HIS 31 HA HIS 31 2.542 -6.296 5.030 241 1HB HIS 31 2HB HIS 31 1.087 -8.694 4.838 242 2HB HIS 31 1HB HIS 31 2.549 -8.993 3.904 243 HD1 HIS 31 1HD HIS 31 4.866 -8.404 5.213 244 HD2 HIS 31 2HD HIS 31 1.466 -8.815 7.589 245 HE1 HIS 31 1HE HIS 31 5.687 -8.724 7.588 246 HA PRO 32 HA PRO 32 4.077 -5.338 0.994 247 1HB PRO 32 2HB PRO 32 6.749 -5.113 1.644 248 2HB PRO 32 1HB PRO 32 5.546 -3.857 1.988 249 1HG PRO 32 2HG PRO 32 6.646 -5.951 3.806 250 2HG PRO 32 1HG PRO 32 6.351 -4.231 4.122 251 1HD PRO 32 2HD PRO 32 4.647 -6.136 4.966 252 2HD PRO 32 1HD PRO 32 4.075 -4.540 4.425 253 H LYS 33 H LYS 33 3.437 -7.683 0.635 254 HA LYS 33 HA LYS 33 5.552 -9.181 -0.592 255 1HB LYS 33 2HB LYS 33 5.356 -11.083 1.189 256 2HB LYS 33 1HB LYS 33 6.357 -9.684 1.576 257 1HG LYS 33 2HG LYS 33 5.063 -9.218 3.354 258 2HG LYS 33 1HG LYS 33 3.642 -9.109 2.328 259 1HD LYS 33 2HD LYS 33 3.497 -10.861 4.151 260 2HD LYS 33 1HD LYS 33 3.223 -11.472 2.519 261 1HE LYS 33 2HE LYS 33 5.229 -12.633 2.470 262 2HE LYS 33 1HE LYS 33 6.030 -11.497 3.574 263 1HZ LYS 33 1HZ LYS 33 5.124 -13.834 4.396 264 2HZ LYS 33 2HZ LYS 33 3.698 -12.930 4.588 265 3HZ LYS 33 3HZ LYS 33 5.118 -12.464 5.395 266 H ALA 34 H ALA 34 2.372 -9.174 0.964 267 HA ALA 34 HA ALA 34 1.114 -11.466 0.094 268 1HB ALA 34 1HB ALA 34 0.392 -8.981 1.052 269 2HB ALA 34 2HB ALA 34 -0.744 -10.263 0.629 270 3HB ALA 34 3HB ALA 34 -0.370 -8.997 -0.539 271 H THR 35 H THR 35 1.943 -12.269 -1.919 272 HA THR 35 HA THR 35 2.552 -11.076 -4.297 273 HB THR 35 HB THR 35 1.013 -13.215 -5.119 274 HG1 THR 35 1HG THR 35 1.642 -14.657 -3.209 275 1HG2 THR 35 1HG2 THR 35 3.426 -12.865 -5.501 276 2HG2 THR 35 2HG2 THR 35 3.101 -14.499 -4.921 277 3HG2 THR 35 3HG2 THR 35 3.749 -13.285 -3.819 278 H LYS 36 H LYS 36 1.523 -9.713 -5.705 279 HA LYS 36 HA LYS 36 -0.921 -8.476 -5.390 280 1HB LYS 36 2HB LYS 36 0.787 -9.241 -7.723 281 2HB LYS 36 1HB LYS 36 -0.809 -8.570 -8.068 282 1HG LYS 36 2HG LYS 36 -0.278 -6.632 -6.594 283 2HG LYS 36 1HG LYS 36 1.344 -7.284 -6.362 284 1HD LYS 36 2HD LYS 36 2.032 -6.394 -8.310 285 2HD LYS 36 1HD LYS 36 0.724 -7.197 -9.178 286 1HE LYS 36 2HE LYS 36 -0.586 -5.144 -7.825 287 2HE LYS 36 1HE LYS 36 0.933 -4.394 -8.356 288 1HZ LYS 36 1HZ LYS 36 -0.584 -4.263 -10.167 289 2HZ LYS 36 2HZ LYS 36 -1.008 -5.903 -10.023 290 3HZ LYS 36 3HZ LYS 36 0.546 -5.466 -10.556 291 H THR 37 H THR 37 -0.336 -11.706 -6.687 292 HA THR 37 HA THR 37 -3.039 -12.163 -7.633 293 HB THR 37 HB THR 37 -1.133 -14.263 -6.740 294 HG1 THR 37 1HG THR 37 -0.263 -13.897 -8.976 295 1HG2 THR 37 1HG2 THR 37 -3.482 -14.103 -8.364 296 2HG2 THR 37 2HG2 THR 37 -2.570 -15.536 -7.891 297 3HG2 THR 37 3HG2 THR 37 -2.132 -14.655 -9.355 298 H GLU 38 H GLU 38 -1.233 -13.255 -4.747 299 HA GLU 38 HA GLU 38 -3.342 -14.607 -3.432 300 1HB GLU 38 2HB GLU 38 -0.771 -13.292 -2.760 301 2HB GLU 38 1HB GLU 38 -1.880 -13.493 -1.404 302 1HG GLU 38 2HG GLU 38 -2.140 -15.935 -2.360 303 2HG GLU 38 1HG GLU 38 -0.582 -15.590 -3.112 304 H ILE 39 H ILE 39 -2.481 -11.157 -3.469 305 HA ILE 39 HA ILE 39 -4.313 -10.208 -1.515 306 HB ILE 39 HB ILE 39 -3.154 -9.058 -4.072 307 1HG1 ILE 39 2HG1 ILE 39 -2.517 -8.661 -1.130 308 2HG1 ILE 39 1HG1 ILE 39 -1.554 -9.593 -2.278 309 1HG2 ILE 39 1HG2 ILE 39 -4.357 -7.374 -1.888 310 2HG2 ILE 39 2HG2 ILE 39 -5.378 -7.998 -3.184 311 3HG2 ILE 39 3HG2 ILE 39 -4.018 -6.942 -3.563 312 1HD1 ILE 39 1HD1 ILE 39 -2.020 -7.006 -3.406 313 2HD1 ILE 39 2HD1 ILE 39 -0.485 -7.720 -2.913 314 3HD1 ILE 39 3HD1 ILE 39 -1.436 -6.788 -1.756 315 H LYS 40 H LYS 40 -4.735 -11.173 -4.868 316 HA LYS 40 HA LYS 40 -7.312 -10.064 -5.402 317 1HB LYS 40 2HB LYS 40 -5.678 -11.113 -7.003 318 2HB LYS 40 1HB LYS 40 -6.086 -12.684 -6.320 319 1HG LYS 40 2HG LYS 40 -8.572 -11.755 -6.842 320 2HG LYS 40 1HG LYS 40 -7.668 -10.959 -8.131 321 1HD LYS 40 2HD LYS 40 -6.600 -13.310 -8.506 322 2HD LYS 40 1HD LYS 40 -7.994 -13.902 -7.602 323 1HE LYS 40 2HE LYS 40 -8.893 -11.985 -9.561 324 2HE LYS 40 1HE LYS 40 -7.915 -13.234 -10.355 325 1HZ LYS 40 1HZ LYS 40 -10.418 -13.683 -9.826 326 2HZ LYS 40 2HZ LYS 40 -9.828 -14.026 -8.271 327 3HZ LYS 40 3HZ LYS 40 -9.266 -14.910 -9.609 328 H ASN 41 H ASN 41 -6.358 -13.257 -4.157 329 HA ASN 41 HA ASN 41 -9.057 -14.212 -3.765 330 1HB ASN 41 2HB ASN 41 -6.328 -15.044 -2.743 331 2HB ASN 41 1HB ASN 41 -7.793 -15.993 -2.487 332 1HD2 ASN 41 1HD2 ASN 41 -5.483 -14.909 -4.946 333 2HD2 ASN 41 2HD2 ASN 41 -6.038 -15.941 -6.173 334 H ALA 42 H ALA 42 -6.700 -12.575 -1.651 335 HA ALA 42 HA ALA 42 -7.956 -13.086 0.832 336 1HB ALA 42 1HB ALA 42 -6.256 -10.857 -0.280 337 2HB ALA 42 2HB ALA 42 -5.789 -12.119 0.868 338 3HB ALA 42 3HB ALA 42 -6.841 -10.787 1.384 339 H VAL 43 H VAL 43 -8.487 -10.259 -1.338 340 HA VAL 43 HA VAL 43 -10.591 -9.140 0.283 341 HB VAL 43 HB VAL 43 -11.207 -8.111 -2.050 342 1HG1 VAL 43 1HG1 VAL 43 -9.308 -6.552 -1.848 343 2HG1 VAL 43 2HG1 VAL 43 -8.485 -7.696 -0.786 344 3HG1 VAL 43 3HG1 VAL 43 -9.992 -6.938 -0.268 345 1HG2 VAL 43 1HG2 VAL 43 -9.496 -10.106 -2.924 346 2HG2 VAL 43 2HG2 VAL 43 -8.474 -8.668 -2.942 347 3HG2 VAL 43 3HG2 VAL 43 -9.984 -8.689 -3.855 348 H GLU 44 H GLU 44 -10.559 -11.567 -2.277 349 HA GLU 44 HA GLU 44 -13.333 -11.721 -2.845 350 1HB GLU 44 2HB GLU 44 -10.887 -13.296 -3.161 351 2HB GLU 44 1HB GLU 44 -12.320 -14.312 -2.990 352 1HG GLU 44 2HG GLU 44 -12.455 -11.945 -4.822 353 2HG GLU 44 1HG GLU 44 -11.605 -13.391 -5.371 354 H THR 45 H THR 45 -11.479 -12.939 -0.102 355 HA THR 45 HA THR 45 -13.588 -14.716 0.876 356 HB THR 45 HB THR 45 -12.047 -15.199 2.551 357 HG1 THR 45 1HG THR 45 -11.820 -13.421 3.673 358 1HG2 THR 45 1HG2 THR 45 -10.941 -14.824 0.034 359 2HG2 THR 45 2HG2 THR 45 -10.169 -15.666 1.376 360 3HG2 THR 45 3HG2 THR 45 -9.830 -13.958 1.097 361 H ALA 46 H ALA 46 -12.299 -11.557 1.910 362 HA ALA 46 HA ALA 46 -14.426 -11.179 3.892 363 1HB ALA 46 1HB ALA 46 -12.371 -10.266 4.514 364 2HB ALA 46 2HB ALA 46 -13.190 -8.845 3.867 365 3HB ALA 46 3HB ALA 46 -12.012 -9.710 2.879 366 H PHE 47 H PHE 47 -13.441 -9.338 0.960 367 HA PHE 47 HA PHE 47 -15.865 -7.766 0.934 368 1HB PHE 47 2HB PHE 47 -13.648 -8.339 -1.039 369 2HB PHE 47 1HB PHE 47 -14.959 -7.214 -1.397 370 HD1 PHE 47 1HD PHE 47 -15.404 -6.030 1.319 371 HD2 PHE 47 2HD PHE 47 -11.774 -6.907 -0.799 372 HE1 PHE 47 1HE PHE 47 -14.227 -4.266 2.601 373 HE2 PHE 47 2HE PHE 47 -10.598 -5.143 0.481 374 HZ PHE 47 HZ PHE 47 -11.824 -3.821 2.182 375 H LYS 48 H LYS 48 -15.195 -10.970 0.019 376 HA LYS 48 HA LYS 48 -16.334 -12.532 -1.354 377 1HB LYS 48 2HB LYS 48 -18.438 -10.821 -0.007 378 2HB LYS 48 1HB LYS 48 -18.847 -12.289 -0.898 379 1HG LYS 48 2HG LYS 48 -17.699 -13.677 0.608 380 2HG LYS 48 1HG LYS 48 -16.723 -12.349 1.235 381 1HD LYS 48 2HD LYS 48 -18.529 -13.084 2.813 382 2HD LYS 48 1HD LYS 48 -18.652 -11.386 2.352 383 1HE LYS 48 2HE LYS 48 -20.604 -11.711 1.189 384 2HE LYS 48 1HE LYS 48 -20.102 -13.309 0.604 385 1HZ LYS 48 1HZ LYS 48 -20.709 -14.324 2.551 386 2HZ LYS 48 2HZ LYS 48 -21.891 -13.106 2.480 387 3HZ LYS 48 3HZ LYS 48 -20.531 -12.918 3.482 388 H VAL 49 H VAL 49 -15.364 -10.494 -2.954 389 HA VAL 49 HA VAL 49 -17.635 -9.967 -4.824 390 HB VAL 49 HB VAL 49 -16.071 -8.205 -3.401 391 1HG1 VAL 49 1HG1 VAL 49 -14.205 -8.979 -5.091 392 2HG1 VAL 49 2HG1 VAL 49 -14.374 -7.275 -4.671 393 3HG1 VAL 49 3HG1 VAL 49 -15.037 -7.876 -6.189 394 1HG2 VAL 49 1HG2 VAL 49 -17.676 -8.004 -5.914 395 2HG2 VAL 49 2HG2 VAL 49 -16.878 -6.572 -5.262 396 3HG2 VAL 49 3HG2 VAL 49 -18.067 -7.442 -4.290 397 H LYS 50 H LYS 50 -16.117 -9.142 -6.988 398 HA LYS 50 HA LYS 50 -14.530 -11.602 -7.651 399 1HB LYS 50 2HB LYS 50 -16.824 -11.009 -8.778 400 2HB LYS 50 1HB LYS 50 -15.877 -9.813 -9.668 401 1HG LYS 50 2HG LYS 50 -14.923 -12.661 -9.486 402 2HG LYS 50 1HG LYS 50 -16.140 -12.207 -10.683 403 1HD LYS 50 2HD LYS 50 -14.326 -10.201 -11.022 404 2HD LYS 50 1HD LYS 50 -13.261 -11.532 -10.566 405 1HE LYS 50 2HE LYS 50 -15.307 -12.382 -12.479 406 2HE LYS 50 1HE LYS 50 -14.272 -11.091 -13.122 407 1HZ LYS 50 1HZ LYS 50 -13.513 -13.750 -12.124 408 2HZ LYS 50 2HZ LYS 50 -12.411 -12.466 -11.964 409 3HZ LYS 50 3HZ LYS 50 -12.967 -12.927 -13.503 410 H VAL 51 H VAL 51 -12.392 -10.996 -7.534 411 HA VAL 51 HA VAL 51 -11.526 -8.258 -8.059 412 HB VAL 51 HB VAL 51 -10.009 -10.862 -7.699 413 1HG1 VAL 51 1HG1 VAL 51 -8.465 -9.317 -8.594 414 2HG1 VAL 51 2HG1 VAL 51 -8.256 -9.132 -6.852 415 3HG1 VAL 51 3HG1 VAL 51 -9.209 -7.956 -7.756 416 1HG2 VAL 51 1HG2 VAL 51 -11.119 -8.807 -5.790 417 2HG2 VAL 51 2HG2 VAL 51 -9.715 -9.778 -5.348 418 3HG2 VAL 51 3HG2 VAL 51 -11.251 -10.564 -5.715 419 H VAL 52 H VAL 52 -10.318 -7.559 -9.871 420 HA VAL 52 HA VAL 52 -10.043 -9.480 -12.142 421 HB VAL 52 HB VAL 52 -12.193 -8.098 -12.147 422 1HG1 VAL 52 1HG1 VAL 52 -10.568 -5.803 -13.130 423 2HG1 VAL 52 2HG1 VAL 52 -10.658 -6.036 -11.387 424 3HG1 VAL 52 3HG1 VAL 52 -12.135 -5.809 -12.323 425 1HG2 VAL 52 1HG2 VAL 52 -10.522 -8.886 -14.186 426 2HG2 VAL 52 2HG2 VAL 52 -10.768 -7.175 -14.533 427 3HG2 VAL 52 3HG2 VAL 52 -12.159 -8.258 -14.400 428 H LYS 53 H LYS 53 -8.451 -7.543 -10.112 429 HA LYS 53 HA LYS 53 -6.042 -7.341 -11.536 430 1HB LYS 53 2HB LYS 53 -8.101 -5.441 -12.343 431 2HB LYS 53 1HB LYS 53 -6.640 -4.618 -11.795 432 1HG LYS 53 2HG LYS 53 -5.641 -6.698 -13.323 433 2HG LYS 53 1HG LYS 53 -7.081 -6.205 -14.217 434 1HD LYS 53 2HD LYS 53 -5.413 -3.981 -13.203 435 2HD LYS 53 1HD LYS 53 -4.661 -4.972 -14.452 436 1HE LYS 53 2HE LYS 53 -7.480 -3.910 -14.761 437 2HE LYS 53 1HE LYS 53 -6.060 -2.987 -15.295 438 1HZ LYS 53 1HZ LYS 53 -6.571 -4.284 -17.139 439 2HZ LYS 53 2HZ LYS 53 -6.987 -5.641 -16.206 440 3HZ LYS 53 3HZ LYS 53 -5.358 -5.189 -16.373 441 H VAL 54 H VAL 54 -4.722 -7.200 -9.772 442 HA VAL 54 HA VAL 54 -5.528 -5.348 -7.560 443 HB VAL 54 HB VAL 54 -4.565 -8.107 -7.719 444 1HG1 VAL 54 1HG1 VAL 54 -3.144 -6.191 -5.840 445 2HG1 VAL 54 2HG1 VAL 54 -2.398 -7.204 -7.077 446 3HG1 VAL 54 3HG1 VAL 54 -3.134 -7.946 -5.657 447 1HG2 VAL 54 1HG2 VAL 54 -6.118 -8.274 -6.094 448 2HG2 VAL 54 2HG2 VAL 54 -6.418 -6.549 -6.304 449 3HG2 VAL 54 3HG2 VAL 54 -5.266 -7.100 -5.089 450 H ASN 55 H ASN 55 -4.328 -3.502 -7.574 451 HA ASN 55 HA ASN 55 -1.490 -3.675 -8.505 452 1HB ASN 55 2HB ASN 55 -3.359 -1.289 -8.456 453 2HB ASN 55 1HB ASN 55 -1.786 -1.377 -9.249 454 1HD2 ASN 55 1HD2 ASN 55 -4.163 -0.752 -10.727 455 2HD2 ASN 55 2HD2 ASN 55 -4.482 -2.034 -11.791 456 H THR 56 H THR 56 -0.144 -3.610 -6.748 457 HA THR 56 HA THR 56 -1.008 -1.939 -4.424 458 HB THR 56 HB THR 56 -0.606 -3.802 -3.200 459 HG1 THR 56 1HG THR 56 1.984 -3.955 -4.306 460 1HG2 THR 56 1HG2 THR 56 0.130 -5.917 -4.258 461 2HG2 THR 56 2HG2 THR 56 0.503 -5.034 -5.737 462 3HG2 THR 56 3HG2 THR 56 -1.164 -5.139 -5.167 463 H LEU 57 H LEU 57 0.901 -0.997 -3.180 464 HA LEU 57 HA LEU 57 3.375 -0.567 -4.728 465 1HB LEU 57 2HB LEU 57 2.975 1.809 -5.035 466 2HB LEU 57 1HB LEU 57 1.581 0.941 -5.673 467 HG LEU 57 HG LEU 57 0.889 1.278 -3.028 468 1HD1 LEU 57 1HD1 LEU 57 2.539 2.776 -2.342 469 2HD1 LEU 57 2HD1 LEU 57 1.277 3.881 -2.889 470 3HD1 LEU 57 3HD1 LEU 57 2.657 3.531 -3.932 471 1HD2 LEU 57 1HD2 LEU 57 0.047 3.549 -4.632 472 2HD2 LEU 57 2HD2 LEU 57 -0.904 2.179 -4.063 473 3HD2 LEU 57 3HD2 LEU 57 -0.005 2.060 -5.576 474 H HIS 58 H HIS 58 4.961 0.701 -3.450 475 HA HIS 58 HA HIS 58 4.804 0.125 -0.597 476 1HB HIS 58 2HB HIS 58 6.801 0.273 -2.336 477 2HB HIS 58 1HB HIS 58 6.810 1.969 -1.858 478 HD1 HIS 58 1HD HIS 58 9.119 -0.041 -1.111 479 HD2 HIS 58 2HD HIS 58 5.965 1.008 1.408 480 HE1 HIS 58 1HE HIS 58 9.911 -0.482 1.253 481 H VAL 59 H VAL 59 4.075 1.472 0.977 482 HA VAL 59 HA VAL 59 3.583 4.344 0.261 483 HB VAL 59 HB VAL 59 1.834 3.844 2.268 484 1HG1 VAL 59 1HG1 VAL 59 0.490 4.497 0.594 485 2HG1 VAL 59 2HG1 VAL 59 0.596 2.889 -0.125 486 3HG1 VAL 59 3HG1 VAL 59 1.766 4.133 -0.568 487 1HG2 VAL 59 1HG2 VAL 59 0.932 1.651 2.184 488 2HG2 VAL 59 2HG2 VAL 59 2.675 1.407 2.230 489 3HG2 VAL 59 3HG2 VAL 59 1.807 1.261 0.703 490 H ARG 60 H ARG 60 4.367 5.872 1.700 491 HA ARG 60 HA ARG 60 5.796 4.829 4.122 492 1HB ARG 60 2HB ARG 60 6.236 7.447 2.665 493 2HB ARG 60 1HB ARG 60 7.341 6.620 3.763 494 1HG ARG 60 2HG ARG 60 6.521 5.751 0.982 495 2HG ARG 60 1HG ARG 60 8.134 6.202 1.532 496 1HD ARG 60 2HD ARG 60 8.356 4.221 2.847 497 2HD ARG 60 1HD ARG 60 6.622 3.859 2.723 498 HE ARG 60 HE ARG 60 7.026 2.960 0.576 499 1HH1 ARG 60 1HH1 ARG 60 9.968 2.905 1.694 500 2HH1 ARG 60 2HH1 ARG 60 10.811 3.483 0.296 501 1HH2 ARG 60 1HH2 ARG 60 7.946 4.620 -1.290 502 2HH2 ARG 60 2HH2 ARG 60 9.666 4.454 -1.394 503 H GLY 61 H GLY 61 5.674 6.201 6.056 504 1HA GLY 61 2HA GLY 61 3.151 7.803 6.133 505 2HA GLY 61 1HA GLY 61 3.825 6.949 7.522 506 H LYS 62 H LYS 62 3.203 9.863 7.126 507 HA LYS 62 HA LYS 62 5.956 10.975 7.555 508 1HB LYS 62 2HB LYS 62 4.924 13.100 6.801 509 2HB LYS 62 1HB LYS 62 4.705 11.828 5.599 510 1HG LYS 62 2HG LYS 62 2.449 11.792 5.870 511 2HG LYS 62 1HG LYS 62 2.566 11.958 7.621 512 1HD LYS 62 2HD LYS 62 1.824 14.074 7.297 513 2HD LYS 62 1HD LYS 62 3.459 14.414 6.733 514 1HE LYS 62 2HE LYS 62 2.831 14.060 4.431 515 2HE LYS 62 1HE LYS 62 1.244 13.423 4.908 516 1HZ LYS 62 1HZ LYS 62 2.275 16.182 5.207 517 2HZ LYS 62 2HZ LYS 62 0.964 15.615 6.128 518 3HZ LYS 62 3HZ LYS 62 0.855 15.670 4.432 519 H LYS 63 H LYS 63 3.964 9.680 9.513 520 HA LYS 63 HA LYS 63 3.475 12.017 11.316 521 1HB LYS 63 2HB LYS 63 1.824 10.577 12.338 522 2HB LYS 63 1HB LYS 63 1.626 10.439 10.590 523 1HG LYS 63 2HG LYS 63 3.177 8.417 10.704 524 2HG LYS 63 1HG LYS 63 2.990 8.488 12.457 525 1HD LYS 63 2HD LYS 63 0.690 8.278 10.493 526 2HD LYS 63 1HD LYS 63 1.374 6.918 11.384 527 1HE LYS 63 2HE LYS 63 -0.109 7.428 13.031 528 2HE LYS 63 1HE LYS 63 0.889 8.861 13.350 529 1HZ LYS 63 1HZ LYS 63 -1.321 9.590 12.847 530 2HZ LYS 63 2HZ LYS 63 -1.371 8.652 11.431 531 3HZ LYS 63 3HZ LYS 63 -0.327 9.989 11.531 532 H LYS 64 H LYS 64 6.109 10.546 10.875 533 HA LYS 64 HA LYS 64 7.105 10.559 13.507 534 1HB LYS 64 2HB LYS 64 5.392 8.393 13.015 535 2HB LYS 64 1HB LYS 64 7.015 7.709 12.924 536 1HG LYS 64 2HG LYS 64 5.863 9.323 15.216 537 2HG LYS 64 1HG LYS 64 6.261 7.605 15.232 538 1HD LYS 64 2HD LYS 64 8.637 8.149 14.836 539 2HD LYS 64 1HD LYS 64 8.240 9.867 14.828 540 1HE LYS 64 2HE LYS 64 7.264 9.510 17.176 541 2HE LYS 64 1HE LYS 64 8.085 7.937 17.155 542 1HZ LYS 64 1HZ LYS 64 9.430 9.871 18.034 543 2HZ LYS 64 2HZ LYS 64 9.466 10.460 16.441 544 3HZ LYS 64 3HZ LYS 64 10.160 8.954 16.809 545 H ARG 65 H ARG 65 8.244 11.464 11.240 546 HA ARG 65 HA ARG 65 10.312 9.420 10.493 547 1HB ARG 65 2HB ARG 65 8.541 10.814 8.925 548 2HB ARG 65 1HB ARG 65 9.963 11.854 8.853 549 1HG ARG 65 2HG ARG 65 11.303 9.732 8.334 550 2HG ARG 65 1HG ARG 65 9.747 8.945 8.066 551 1HD ARG 65 2HD ARG 65 10.164 11.565 6.698 552 2HD ARG 65 1HD ARG 65 11.060 10.169 6.064 553 HE ARG 65 HE ARG 65 8.630 9.056 6.325 554 1HH1 ARG 65 1HH1 ARG 65 8.576 12.382 6.116 555 2HH1 ARG 65 2HH1 ARG 65 7.656 12.463 4.651 556 1HH2 ARG 65 1HH2 ARG 65 7.849 9.057 4.027 557 2HH2 ARG 65 2HH2 ARG 65 7.243 10.581 3.469 558 H LEU 66 H LEU 66 9.721 12.647 11.742 559 HA LEU 66 HA LEU 66 11.203 14.249 12.652 560 1HB LEU 66 2HB LEU 66 12.242 11.540 13.131 561 2HB LEU 66 1HB LEU 66 13.491 12.785 13.196 562 HG LEU 66 HG LEU 66 12.497 12.480 15.418 563 1HD1 LEU 66 1HD1 LEU 66 11.223 15.039 14.686 564 2HD1 LEU 66 2HD1 LEU 66 12.888 14.869 14.131 565 3HD1 LEU 66 3HD1 LEU 66 12.510 14.714 15.846 566 1HD2 LEU 66 1HD2 LEU 66 9.878 13.391 14.200 567 2HD2 LEU 66 2HD2 LEU 66 10.157 12.779 15.831 568 3HD2 LEU 66 3HD2 LEU 66 10.268 11.689 14.448 569 H GLY 67 H GLY 67 11.871 15.665 11.049 570 1HA GLY 67 2HA GLY 67 13.237 15.024 8.685 571 2HA GLY 67 1HA GLY 67 13.260 16.619 9.429 572 H ARG 68 H ARG 68 14.890 13.471 9.407 573 HA ARG 68 HA ARG 68 17.361 14.856 10.364 574 1HB ARG 68 2HB ARG 68 17.679 13.200 12.013 575 2HB ARG 68 1HB ARG 68 15.938 13.474 12.057 576 1HG ARG 68 2HG ARG 68 15.713 11.552 10.400 577 2HG ARG 68 1HG ARG 68 17.411 11.196 10.720 578 1HD ARG 68 2HD ARG 68 15.890 11.574 13.193 579 2HD ARG 68 1HD ARG 68 15.270 10.233 12.209 580 HE ARG 68 HE ARG 68 18.185 10.487 12.848 581 1HH1 ARG 68 1HH2 ARG 68 15.312 8.874 13.596 582 2HH1 ARG 68 2HH2 ARG 68 15.987 7.282 13.502 583 1HH2 ARG 68 1HH1 ARG 68 19.044 8.360 12.273 584 2HH2 ARG 68 2HH1 ARG 68 18.099 6.991 12.754 585 H TYR 69 H TYR 69 19.343 13.508 9.842 586 HA TYR 69 HA TYR 69 19.414 12.736 7.095 587 1HB TYR 69 2HB TYR 69 21.689 12.308 7.557 588 2HB TYR 69 1HB TYR 69 21.248 13.493 8.784 589 HD1 TYR 69 1HD TYR 69 19.736 11.911 10.733 590 HD2 TYR 69 2HD TYR 69 23.284 10.893 8.536 591 HE1 TYR 69 1HE TYR 69 20.367 10.301 12.502 592 HE2 TYR 69 2HE TYR 69 23.917 9.283 10.311 593 HH TYR 69 HH TYR 69 23.439 8.984 12.778 594 H LEU 70 H LEU 70 19.526 10.625 6.147 595 HA LEU 70 HA LEU 70 18.699 8.406 5.921 596 1HB LEU 70 2HB LEU 70 20.855 8.710 7.680 597 2HB LEU 70 1HB LEU 70 19.760 7.592 8.489 598 HG LEU 70 HG LEU 70 20.432 7.221 5.579 599 1HD1 LEU 70 1HD1 LEU 70 22.501 7.393 7.185 600 2HD1 LEU 70 2HD1 LEU 70 22.396 6.045 6.053 601 3HD1 LEU 70 3HD1 LEU 70 21.964 5.810 7.746 602 1HD2 LEU 70 1HD2 LEU 70 18.691 5.787 6.229 603 2HD2 LEU 70 2HD2 LEU 70 19.350 5.568 7.850 604 3HD2 LEU 70 3HD2 LEU 70 20.115 4.776 6.472 605 H GLY 71 H GLY 71 16.708 10.017 6.938 606 1HA GLY 71 2HA GLY 71 15.512 9.521 9.380 607 2HA GLY 71 1HA GLY 71 14.569 9.707 7.899 608 H LYS 72 H LYS 72 13.567 8.008 9.802 609 HA LYS 72 HA LYS 72 14.310 5.262 8.862 610 1HB LYS 72 2HB LYS 72 13.437 4.539 11.006 611 2HB LYS 72 1HB LYS 72 14.510 5.908 11.292 612 1HG LYS 72 2HG LYS 72 12.381 7.365 11.108 613 2HG LYS 72 1HG LYS 72 11.495 5.854 11.318 614 1HD LYS 72 2HD LYS 72 13.723 6.445 13.222 615 2HD LYS 72 1HD LYS 72 12.210 7.331 13.417 616 1HE LYS 72 2HE LYS 72 11.729 4.487 12.949 617 2HE LYS 72 1HE LYS 72 12.718 4.768 14.396 618 1HZ LYS 72 1HZ LYS 72 10.209 6.221 13.739 619 2HZ LYS 72 2HZ LYS 72 11.147 6.419 15.142 620 3HZ LYS 72 3HZ LYS 72 10.327 4.957 14.866 621 H ARG 73 H ARG 73 12.834 4.200 7.615 622 HA ARG 73 HA ARG 73 9.949 4.972 7.799 623 1HB ARG 73 2HB ARG 73 11.853 5.014 5.489 624 2HB ARG 73 1HB ARG 73 10.183 4.548 5.170 625 1HG ARG 73 2HG ARG 73 9.450 6.671 5.403 626 2HG ARG 73 1HG ARG 73 10.346 6.884 6.908 627 1HD ARG 73 2HD ARG 73 11.446 8.419 5.527 628 2HD ARG 73 1HD ARG 73 12.434 6.972 5.246 629 HE ARG 73 HE ARG 73 10.398 6.700 3.406 630 1HH1 ARG 73 1HH2 ARG 73 10.113 9.652 3.353 631 2HH1 ARG 73 2HH2 ARG 73 11.266 10.124 2.150 632 1HH2 ARG 73 1HH1 ARG 73 12.975 7.107 2.222 633 2HH2 ARG 73 2HH1 ARG 73 12.886 8.684 1.509 634 HA PRO 74 HA PRO 74 9.783 0.534 8.033 635 1HB PRO 74 2HB PRO 74 7.068 0.305 8.125 636 2HB PRO 74 1HB PRO 74 8.035 0.820 9.521 637 1HG PRO 74 2HG PRO 74 6.447 2.449 7.612 638 2HG PRO 74 1HG PRO 74 6.644 2.638 9.361 639 1HD PRO 74 2HD PRO 74 7.966 4.162 7.516 640 2HD PRO 74 1HD PRO 74 8.597 3.817 9.143 641 H ASP 75 H ASP 75 7.964 -1.060 6.842 642 HA ASP 75 HA ASP 75 8.095 -0.326 3.950 643 1HB ASP 75 2HB ASP 75 8.733 -2.749 5.547 644 2HB ASP 75 1HB ASP 75 7.931 -3.039 4.002 645 H ARG 76 H ARG 76 5.967 0.604 4.032 646 HA ARG 76 HA ARG 76 3.722 -1.217 4.759 647 1HB ARG 76 2HB ARG 76 4.213 1.701 4.523 648 2HB ARG 76 1HB ARG 76 2.597 1.162 4.067 649 1HG ARG 76 2HG ARG 76 2.863 1.749 6.516 650 2HG ARG 76 1HG ARG 76 2.254 0.121 6.207 651 1HD ARG 76 2HD ARG 76 4.572 -0.768 6.453 652 2HD ARG 76 1HD ARG 76 5.129 0.868 6.857 653 HE ARG 76 HE ARG 76 3.968 0.720 8.938 654 1HH1 ARG 76 1HH2 ARG 76 4.721 -2.278 8.291 655 2HH1 ARG 76 2HH2 ARG 76 3.273 -3.052 8.841 656 1HH2 ARG 76 1HH1 ARG 76 1.452 -0.107 9.021 657 2HH2 ARG 76 2HH1 ARG 76 1.423 -1.823 9.255 658 H LYS 77 H LYS 77 2.411 -2.100 3.168 659 HA LYS 77 HA LYS 77 2.903 -1.192 0.350 660 1HB LYS 77 2HB LYS 77 3.900 -3.333 0.633 661 2HB LYS 77 1HB LYS 77 2.544 -3.920 1.596 662 1HG LYS 77 2HG LYS 77 1.077 -3.672 -0.425 663 2HG LYS 77 1HG LYS 77 2.514 -3.266 -1.363 664 1HD LYS 77 2HD LYS 77 3.489 -5.423 -0.963 665 2HD LYS 77 1HD LYS 77 2.262 -5.822 0.238 666 1HE LYS 77 2HE LYS 77 0.632 -5.325 -1.847 667 2HE LYS 77 1HE LYS 77 2.072 -5.862 -2.737 668 1HZ LYS 77 1HZ LYS 77 2.077 -7.615 -0.762 669 2HZ LYS 77 2HZ LYS 77 1.242 -7.891 -2.216 670 3HZ LYS 77 3HZ LYS 77 0.406 -7.333 -0.846 671 H LYS 78 H LYS 78 1.094 -0.484 -0.675 672 HA LYS 78 HA LYS 78 -1.563 -1.026 0.566 673 1HB LYS 78 2HB LYS 78 -0.295 1.085 -1.133 674 2HB LYS 78 1HB LYS 78 -2.033 0.838 -1.306 675 1HG LYS 78 2HG LYS 78 -1.877 0.847 1.381 676 2HG LYS 78 1HG LYS 78 -0.490 1.872 1.018 677 1HD LYS 78 2HD LYS 78 -3.375 2.307 0.221 678 2HD LYS 78 1HD LYS 78 -2.353 3.354 1.207 679 1HE LYS 78 2HE LYS 78 -0.962 3.907 -0.712 680 2HE LYS 78 1HE LYS 78 -1.828 2.734 -1.722 681 1HZ LYS 78 1HZ LYS 78 -3.085 4.547 -2.183 682 2HZ LYS 78 2HZ LYS 78 -2.709 5.330 -0.724 683 3HZ LYS 78 3HZ LYS 78 -3.872 4.092 -0.752 684 H ALA 79 H ALA 79 -3.252 -1.960 -0.761 685 HA ALA 79 HA ALA 79 -2.302 -3.073 -3.384 686 1HB ALA 79 1HB ALA 79 -2.734 -4.482 -1.138 687 2HB ALA 79 2HB ALA 79 -3.021 -5.135 -2.754 688 3HB ALA 79 3HB ALA 79 -4.366 -4.479 -1.811 689 H ILE 80 H ILE 80 -3.492 -2.237 -5.023 690 HA ILE 80 HA ILE 80 -6.270 -1.324 -4.503 691 HB ILE 80 HB ILE 80 -4.560 -1.078 -6.983 692 1HG1 ILE 80 2HG1 ILE 80 -4.744 0.747 -4.567 693 2HG1 ILE 80 1HG1 ILE 80 -3.326 -0.175 -5.062 694 1HG2 ILE 80 1HG2 ILE 80 -6.421 -0.077 -7.771 695 2HG2 ILE 80 2HG2 ILE 80 -6.199 1.176 -6.550 696 3HG2 ILE 80 3HG2 ILE 80 -7.215 -0.223 -6.204 697 1HD1 ILE 80 1HD1 ILE 80 -3.053 2.085 -5.865 698 2HD1 ILE 80 2HD1 ILE 80 -4.666 2.067 -6.585 699 3HD1 ILE 80 3HD1 ILE 80 -3.385 1.048 -7.255 700 H VAL 81 H VAL 81 -7.729 -2.995 -4.741 701 HA VAL 81 HA VAL 81 -7.258 -4.996 -6.914 702 HB VAL 81 HB VAL 81 -9.171 -5.021 -4.556 703 1HG1 VAL 81 1HG1 VAL 81 -9.075 -7.500 -4.975 704 2HG1 VAL 81 2HG1 VAL 81 -8.160 -7.165 -6.444 705 3HG1 VAL 81 3HG1 VAL 81 -9.818 -6.587 -6.288 706 1HG2 VAL 81 1HG2 VAL 81 -7.018 -6.843 -4.205 707 2HG2 VAL 81 2HG2 VAL 81 -7.382 -5.410 -3.243 708 3HG2 VAL 81 3HG2 VAL 81 -6.306 -5.288 -4.635 709 H GLN 82 H GLN 82 -8.662 -4.999 -8.685 710 HA GLN 82 HA GLN 82 -11.012 -3.150 -8.509 711 1HB GLN 82 2HB GLN 82 -9.468 -2.462 -10.180 712 2HB GLN 82 1HB GLN 82 -9.208 -4.105 -10.740 713 1HG GLN 82 2HG GLN 82 -10.656 -3.016 -12.335 714 2HG GLN 82 1HG GLN 82 -11.640 -4.155 -11.419 715 1HE2 GLN 82 1HE2 GLN 82 -13.618 -2.933 -11.697 716 2HE2 GLN 82 2HE2 GLN 82 -13.861 -1.440 -10.930 717 H VAL 83 H VAL 83 -13.006 -3.947 -9.426 718 HA VAL 83 HA VAL 83 -13.010 -6.913 -9.649 719 HB VAL 83 HB VAL 83 -15.168 -6.897 -8.662 720 1HG1 VAL 83 1HG1 VAL 83 -13.835 -4.579 -7.254 721 2HG1 VAL 83 2HG1 VAL 83 -13.156 -6.206 -7.190 722 3HG1 VAL 83 3HG1 VAL 83 -14.769 -5.897 -6.547 723 1HG2 VAL 83 1HG2 VAL 83 -15.153 -3.905 -9.163 724 2HG2 VAL 83 2HG2 VAL 83 -16.423 -4.773 -8.296 725 3HG2 VAL 83 3HG2 VAL 83 -16.138 -5.107 -10.007 726 H ALA 84 H ALA 84 -14.454 -7.805 -11.231 727 HA ALA 84 HA ALA 84 -14.322 -6.723 -13.806 728 1HB ALA 84 1HB ALA 84 -15.079 -8.821 -14.008 729 2HB ALA 84 2HB ALA 84 -16.693 -8.202 -13.636 730 3HB ALA 84 3HB ALA 84 -15.666 -8.822 -12.341 731 HA PRO 85 HA PRO 85 -17.474 -3.729 -14.233 732 1HB PRO 85 2HB PRO 85 -18.939 -4.552 -16.398 733 2HB PRO 85 1HB PRO 85 -17.298 -3.914 -16.530 734 1HG PRO 85 2HG PRO 85 -18.229 -6.700 -16.608 735 2HG PRO 85 1HG PRO 85 -16.937 -5.925 -17.520 736 1HD PRO 85 2HD PRO 85 -16.507 -7.536 -15.347 737 2HD PRO 85 1HD PRO 85 -15.394 -6.260 -15.862 738 H GLY 86 H GLY 86 -19.527 -3.262 -13.426 739 1HA GLY 86 2HA GLY 86 -21.831 -3.754 -12.907 740 2HA GLY 86 1HA GLY 86 -21.489 -5.469 -13.137 741 H GLN 87 H GLN 87 -19.106 -5.537 -11.504 742 HA GLN 87 HA GLN 87 -20.375 -5.793 -8.879 743 1HB GLN 87 2HB GLN 87 -17.704 -6.352 -10.141 744 2HB GLN 87 1HB GLN 87 -17.873 -6.429 -8.386 745 1HG GLN 87 2HG GLN 87 -20.051 -7.841 -9.083 746 2HG GLN 87 1HG GLN 87 -19.032 -8.193 -10.478 747 1HE2 GLN 87 1HE2 GLN 87 -19.739 -10.182 -8.477 748 2HE2 GLN 87 2HE2 GLN 87 -18.306 -10.649 -7.694 749 H LYS 88 H LYS 88 -19.060 -4.922 -6.935 750 HA LYS 88 HA LYS 88 -17.418 -2.584 -7.160 751 1HB LYS 88 2HB LYS 88 -19.218 -0.922 -6.536 752 2HB LYS 88 1HB LYS 88 -19.396 -1.595 -8.157 753 1HG LYS 88 2HG LYS 88 -20.733 -3.345 -6.344 754 2HG LYS 88 1HG LYS 88 -21.257 -1.698 -5.985 755 1HD LYS 88 2HD LYS 88 -21.185 -2.840 -8.789 756 2HD LYS 88 1HD LYS 88 -22.622 -2.878 -7.765 757 1HE LYS 88 2HE LYS 88 -21.329 -0.223 -7.933 758 2HE LYS 88 1HE LYS 88 -22.029 -0.808 -9.456 759 1HZ LYS 88 1HZ LYS 88 -23.345 -0.332 -6.871 760 2HZ LYS 88 2HZ LYS 88 -23.952 -1.552 -7.886 761 3HZ LYS 88 3HZ LYS 88 -23.879 0.055 -8.433 762 H ILE 89 H ILE 89 -16.383 -3.624 -5.355 763 HA ILE 89 HA ILE 89 -17.432 -4.700 -3.037 764 HB ILE 89 HB ILE 89 -15.099 -2.785 -3.369 765 1HG1 ILE 89 2HG1 ILE 89 -15.402 -5.793 -3.583 766 2HG1 ILE 89 1HG1 ILE 89 -14.860 -4.678 -4.836 767 1HG2 ILE 89 1HG2 ILE 89 -14.539 -3.139 -1.207 768 2HG2 ILE 89 2HG2 ILE 89 -14.887 -4.864 -1.323 769 3HG2 ILE 89 3HG2 ILE 89 -16.189 -3.721 -0.990 770 1HD1 ILE 89 1HD1 ILE 89 -13.198 -4.329 -2.524 771 2HD1 ILE 89 2HD1 ILE 89 -12.735 -4.888 -4.130 772 3HD1 ILE 89 3HD1 ILE 89 -13.267 -6.047 -2.913 773 H GLU 90 H GLU 90 -19.323 -3.767 -2.204 774 HA GLU 90 HA GLU 90 -19.645 -0.905 -1.804 775 1HB GLU 90 2HB GLU 90 -21.136 -3.295 -0.670 776 2HB GLU 90 1HB GLU 90 -21.738 -1.638 -0.740 777 1HG GLU 90 2HG GLU 90 -20.966 -2.126 -3.355 778 2HG GLU 90 1HG GLU 90 -21.644 -3.673 -2.845 779 H ALA 91 H ALA 91 -18.071 -3.389 -0.014 780 HA ALA 91 HA ALA 91 -18.496 -2.650 2.676 781 1HB ALA 91 1HB ALA 91 -17.203 -4.530 2.520 782 2HB ALA 91 2HB ALA 91 -15.868 -3.380 2.602 783 3HB ALA 91 3HB ALA 91 -16.418 -3.981 1.038 784 H LEU 92 H LEU 92 -16.702 -0.980 0.172 785 HA LEU 92 HA LEU 92 -15.553 0.891 2.208 786 1HB LEU 92 2HB LEU 92 -14.841 1.165 -0.659 787 2HB LEU 92 1HB LEU 92 -13.794 1.154 0.757 788 HG LEU 92 HG LEU 92 -15.022 -1.251 -0.613 789 1HD1 LEU 92 1HD1 LEU 92 -12.149 -1.238 -0.155 790 2HD1 LEU 92 2HD1 LEU 92 -12.653 0.168 -1.094 791 3HD1 LEU 92 3HD1 LEU 92 -13.035 -1.457 -1.665 792 1HD2 LEU 92 1HD2 LEU 92 -14.771 -2.386 1.318 793 2HD2 LEU 92 2HD2 LEU 92 -14.312 -0.885 2.122 794 3HD2 LEU 92 3HD2 LEU 92 -13.074 -1.908 1.391 795 H GLU 93 H GLU 93 -17.853 0.612 -0.389 796 HA GLU 93 HA GLU 93 -18.130 3.336 -1.146 797 1HB GLU 93 2HB GLU 93 -20.166 1.091 -0.946 798 2HB GLU 93 1HB GLU 93 -20.371 2.559 -1.902 799 1HG GLU 93 2HG GLU 93 -18.142 0.535 -2.268 800 2HG GLU 93 1HG GLU 93 -19.568 0.676 -3.296 801 H GLY 94 H GLY 94 -19.130 1.641 1.737 802 1HA GLY 94 2HA GLY 94 -20.760 4.005 2.567 803 2HA GLY 94 1HA GLY 94 -20.939 2.385 3.243 804 H LEU 95 H LEU 95 -17.849 2.247 3.174 805 HA LEU 95 HA LEU 95 -17.297 2.709 5.880 806 1HB LEU 95 2HB LEU 95 -15.923 1.516 4.121 807 2HB LEU 95 1HB LEU 95 -15.388 3.098 3.555 808 HG LEU 95 HG LEU 95 -14.314 3.584 5.640 809 1HD1 LEU 95 1HD1 LEU 95 -14.454 1.845 7.513 810 2HD1 LEU 95 2HD1 LEU 95 -15.809 1.145 6.628 811 3HD1 LEU 95 3HD1 LEU 95 -15.911 2.799 7.235 812 1HD2 LEU 95 1HD2 LEU 95 -12.689 2.293 4.703 813 2HD2 LEU 95 2HD2 LEU 95 -13.813 0.990 4.322 814 3HD2 LEU 95 3HD2 LEU 95 -13.136 1.124 5.945 815 H ILE 96 H ILE 96 -17.631 5.038 3.315 816 HA ILE 96 HA ILE 96 -16.080 7.204 4.304 817 HB ILE 96 HB ILE 96 -18.702 7.055 2.787 818 1HG1 ILE 96 2HG1 ILE 96 -16.014 7.775 1.653 819 2HG1 ILE 96 1HG1 ILE 96 -16.411 6.079 1.930 820 1HG2 ILE 96 1HG2 ILE 96 -17.116 9.352 3.758 821 2HG2 ILE 96 2HG2 ILE 96 -18.806 9.281 3.260 822 3HG2 ILE 96 3HG2 ILE 96 -17.535 9.413 2.046 823 1HD1 ILE 96 1HD1 ILE 96 -17.672 8.034 0.039 824 2HD1 ILE 96 2HD1 ILE 96 -18.652 6.719 0.688 825 3HD1 ILE 96 3HD1 ILE 96 -17.196 6.360 -0.240 Start of MODEL 7 1 1H MET 1 1HT MET 1 -5.808 -17.564 8.617 2 2H MET 1 2HT MET 1 -6.004 -19.148 8.037 3 3H MET 1 3HT MET 1 -7.178 -18.462 9.056 4 HA MET 1 HA MET 1 -7.550 -18.554 6.467 5 1HB MET 1 2HB MET 1 -8.700 -17.413 8.628 6 2HB MET 1 1HB MET 1 -8.199 -15.950 7.774 7 1HG MET 1 2HG MET 1 -9.938 -16.169 6.372 8 2HG MET 1 1HG MET 1 -9.322 -17.739 5.853 9 1HE MET 1 1HE MET 1 -12.318 -19.651 6.489 10 2HE MET 1 2HE MET 1 -10.781 -19.417 5.662 11 3HE MET 1 3HE MET 1 -12.079 -18.246 5.442 12 H LYS 2 H LYS 2 -6.123 -18.019 4.791 13 HA LYS 2 HA LYS 2 -4.468 -15.587 5.059 14 1HB LYS 2 2HB LYS 2 -4.417 -16.758 2.414 15 2HB LYS 2 1HB LYS 2 -3.116 -16.631 3.571 16 1HG LYS 2 2HG LYS 2 -4.083 -18.666 4.744 17 2HG LYS 2 1HG LYS 2 -5.162 -18.850 3.360 18 1HD LYS 2 2HD LYS 2 -2.380 -18.450 2.554 19 2HD LYS 2 1HD LYS 2 -2.591 -19.887 3.557 20 1HE LYS 2 2HE LYS 2 -4.624 -20.402 2.003 21 2HE LYS 2 1HE LYS 2 -3.854 -19.252 0.892 22 1HZ LYS 2 1HZ LYS 2 -2.935 -21.386 0.441 23 2HZ LYS 2 2HZ LYS 2 -2.643 -21.685 2.088 24 3HZ LYS 2 3HZ LYS 2 -1.746 -20.500 1.264 25 H THR 3 H THR 3 -6.792 -14.616 5.257 26 HA THR 3 HA THR 3 -7.851 -13.893 2.560 27 HB THR 3 HB THR 3 -9.585 -14.736 3.934 28 HG1 THR 3 1HG THR 3 -10.767 -13.044 3.672 29 1HG2 THR 3 1HG2 THR 3 -9.839 -13.828 6.331 30 2HG2 THR 3 2HG2 THR 3 -8.184 -13.243 6.152 31 3HG2 THR 3 3HG2 THR 3 -8.527 -14.970 6.041 32 H ALA 4 H ALA 4 -8.650 -11.763 5.110 33 HA ALA 4 HA ALA 4 -7.039 -9.616 3.907 34 1HB ALA 4 1HB ALA 4 -8.284 -8.483 5.962 35 2HB ALA 4 2HB ALA 4 -9.214 -9.983 5.922 36 3HB ALA 4 3HB ALA 4 -9.166 -8.933 4.503 37 H TYR 5 H TYR 5 -6.530 -12.030 6.126 38 HA TYR 5 HA TYR 5 -5.179 -10.987 8.351 39 1HB TYR 5 2HB TYR 5 -4.325 -13.225 8.452 40 2HB TYR 5 1HB TYR 5 -5.845 -13.380 7.569 41 HD1 TYR 5 1HD TYR 5 -5.257 -12.448 4.892 42 HD2 TYR 5 2HD TYR 5 -2.758 -14.732 7.530 43 HE1 TYR 5 1HE TYR 5 -4.008 -13.266 2.952 44 HE2 TYR 5 2HE TYR 5 -1.491 -15.578 5.568 45 HH TYR 5 HH TYR 5 -2.591 -15.163 2.351 46 H ASP 6 H ASP 6 -2.617 -12.417 7.691 47 HA ASP 6 HA ASP 6 -0.624 -10.675 7.398 48 1HB ASP 6 2HB ASP 6 -0.673 -13.227 7.263 49 2HB ASP 6 1HB ASP 6 -0.919 -13.040 5.526 50 H VAL 7 H VAL 7 -2.076 -12.002 4.402 51 HA VAL 7 HA VAL 7 -0.851 -10.316 2.557 52 HB VAL 7 HB VAL 7 -3.660 -11.464 2.587 53 1HG1 VAL 7 1HG1 VAL 7 -2.895 -9.602 0.843 54 2HG1 VAL 7 2HG1 VAL 7 -3.841 -11.001 0.335 55 3HG1 VAL 7 3HG1 VAL 7 -2.097 -10.983 0.093 56 1HG2 VAL 7 1HG2 VAL 7 -2.738 -13.398 1.647 57 2HG2 VAL 7 2HG2 VAL 7 -1.517 -12.939 2.840 58 3HG2 VAL 7 3HG2 VAL 7 -1.270 -12.566 1.137 59 H ILE 8 H ILE 8 -4.208 -9.618 2.377 60 HA ILE 8 HA ILE 8 -3.669 -6.742 2.548 61 HB ILE 8 HB ILE 8 -6.287 -8.216 2.177 62 1HG1 ILE 8 2HG1 ILE 8 -4.096 -7.604 0.174 63 2HG1 ILE 8 1HG1 ILE 8 -4.705 -9.193 0.629 64 1HG2 ILE 8 1HG2 ILE 8 -7.071 -6.243 1.235 65 2HG2 ILE 8 2HG2 ILE 8 -5.457 -5.706 0.760 66 3HG2 ILE 8 3HG2 ILE 8 -5.966 -5.595 2.447 67 1HD1 ILE 8 1HD1 ILE 8 -5.647 -8.354 -1.534 68 2HD1 ILE 8 2HD1 ILE 8 -6.404 -7.036 -0.644 69 3HD1 ILE 8 3HD1 ILE 8 -6.877 -8.705 -0.325 70 H LEU 9 H LEU 9 -3.218 -6.489 4.856 71 HA LEU 9 HA LEU 9 -4.822 -7.360 7.008 72 1HB LEU 9 2HB LEU 9 -2.959 -5.092 6.427 73 2HB LEU 9 1HB LEU 9 -3.893 -5.029 7.922 74 HG LEU 9 HG LEU 9 -2.784 -7.680 7.494 75 1HD1 LEU 9 1HD1 LEU 9 -0.618 -5.751 8.132 76 2HD1 LEU 9 2HD1 LEU 9 -1.111 -5.823 6.441 77 3HD1 LEU 9 3HD1 LEU 9 -0.543 -7.279 7.255 78 1HD2 LEU 9 1HD2 LEU 9 -3.522 -6.016 9.593 79 2HD2 LEU 9 2HD2 LEU 9 -1.764 -6.070 9.721 80 3HD2 LEU 9 3HD2 LEU 9 -2.696 -7.566 9.756 81 H ALA 10 H ALA 10 -4.878 -3.890 6.676 82 HA ALA 10 HA ALA 10 -7.870 -3.985 6.628 83 1HB ALA 10 1HB ALA 10 -6.009 -2.817 8.343 84 2HB ALA 10 2HB ALA 10 -7.728 -2.431 8.273 85 3HB ALA 10 3HB ALA 10 -6.571 -1.468 7.356 86 HA PRO 11 HA PRO 11 -7.885 -1.713 2.859 87 1HB PRO 11 2HB PRO 11 -10.162 -0.230 3.146 88 2HB PRO 11 1HB PRO 11 -10.184 -1.984 2.883 89 1HG PRO 11 2HG PRO 11 -10.645 -0.440 5.362 90 2HG PRO 11 1HG PRO 11 -11.320 -1.993 4.852 91 1HD PRO 11 2HD PRO 11 -9.252 -1.635 6.689 92 2HD PRO 11 1HD PRO 11 -9.672 -3.156 5.874 93 H VAL 12 H VAL 12 -7.487 0.435 1.970 94 HA VAL 12 HA VAL 12 -6.722 2.467 4.043 95 HB VAL 12 HB VAL 12 -4.788 1.668 2.914 96 1HG1 VAL 12 1HG1 VAL 12 -6.496 1.841 0.428 97 2HG1 VAL 12 2HG1 VAL 12 -5.764 0.403 1.137 98 3HG1 VAL 12 3HG1 VAL 12 -4.748 1.621 0.370 99 1HG2 VAL 12 1HG2 VAL 12 -3.986 3.601 1.729 100 2HG2 VAL 12 2HG2 VAL 12 -5.104 4.192 2.957 101 3HG2 VAL 12 3HG2 VAL 12 -5.623 4.074 1.276 102 H LEU 13 H LEU 13 -8.281 4.056 4.066 103 HA LEU 13 HA LEU 13 -9.618 4.789 1.502 104 1HB LEU 13 2HB LEU 13 -10.224 5.310 4.428 105 2HB LEU 13 1HB LEU 13 -11.209 5.918 3.099 106 HG LEU 13 HG LEU 13 -12.277 3.903 3.752 107 1HD1 LEU 13 1HD1 LEU 13 -11.673 4.151 1.262 108 2HD1 LEU 13 2HD1 LEU 13 -12.123 2.536 1.811 109 3HD1 LEU 13 3HD1 LEU 13 -10.423 2.943 1.566 110 1HD2 LEU 13 1HD2 LEU 13 -9.811 3.240 4.808 111 2HD2 LEU 13 2HD2 LEU 13 -9.987 2.081 3.490 112 3HD2 LEU 13 3HD2 LEU 13 -11.212 2.169 4.756 113 H SER 14 H SER 14 -8.513 6.407 0.467 114 HA SER 14 HA SER 14 -7.867 8.866 2.021 115 1HB SER 14 2HB SER 14 -6.020 6.924 0.804 116 2HB SER 14 1HB SER 14 -5.712 8.588 0.315 117 HG SER 14 HG SER 14 -5.304 9.130 2.363 118 H GLU 15 H GLU 15 -7.504 10.736 0.531 119 HA GLU 15 HA GLU 15 -9.447 11.195 -1.374 120 1HB GLU 15 2HB GLU 15 -6.550 12.108 -1.366 121 2HB GLU 15 1HB GLU 15 -7.848 12.897 -2.263 122 1HG GLU 15 2HG GLU 15 -9.074 13.152 -0.056 123 2HG GLU 15 1HG GLU 15 -7.593 12.619 0.740 124 H LYS 16 H LYS 16 -6.094 10.399 -2.356 125 HA LYS 16 HA LYS 16 -6.738 9.750 -5.051 126 1HB LYS 16 2HB LYS 16 -4.498 9.885 -3.318 127 2HB LYS 16 1HB LYS 16 -4.468 8.279 -4.047 128 1HG LYS 16 2HG LYS 16 -4.907 9.501 -6.284 129 2HG LYS 16 1HG LYS 16 -4.422 10.962 -5.423 130 1HD LYS 16 2HD LYS 16 -2.766 8.441 -5.749 131 2HD LYS 16 1HD LYS 16 -2.474 9.992 -6.539 132 1HE LYS 16 2HE LYS 16 -1.298 10.702 -4.740 133 2HE LYS 16 1HE LYS 16 -2.701 10.409 -3.691 134 1HZ LYS 16 1HZ LYS 16 -2.040 8.292 -3.222 135 2HZ LYS 16 2HZ LYS 16 -0.510 9.002 -3.431 136 3HZ LYS 16 3HZ LYS 16 -1.208 8.094 -4.687 137 H ALA 17 H ALA 17 -7.292 7.990 -2.149 138 HA ALA 17 HA ALA 17 -7.435 5.381 -3.580 139 1HB ALA 17 1HB ALA 17 -7.057 6.371 -0.818 140 2HB ALA 17 2HB ALA 17 -6.394 4.934 -1.596 141 3HB ALA 17 3HB ALA 17 -8.037 4.911 -0.955 142 H TYR 18 H TYR 18 -9.443 7.715 -3.778 143 HA TYR 18 HA TYR 18 -11.857 6.066 -3.130 144 1HB TYR 18 2HB TYR 18 -11.039 8.770 -2.239 145 2HB TYR 18 1HB TYR 18 -12.718 8.630 -2.762 146 HD1 TYR 18 1HD TYR 18 -11.181 8.869 0.123 147 HD2 TYR 18 2HD TYR 18 -13.324 5.822 -2.015 148 HE1 TYR 18 1HE TYR 18 -11.761 7.769 2.269 149 HE2 TYR 18 2HE TYR 18 -13.903 4.720 0.132 150 HH TYR 18 HH TYR 18 -13.846 6.110 2.976 151 H ALA 19 H ALA 19 -10.716 8.973 -4.898 152 HA ALA 19 HA ALA 19 -12.879 9.052 -6.778 153 1HB ALA 19 1HB ALA 19 -10.215 9.942 -7.690 154 2HB ALA 19 2HB ALA 19 -10.676 10.570 -6.107 155 3HB ALA 19 3HB ALA 19 -11.703 10.871 -7.510 156 H GLY 20 H GLY 20 -9.779 7.361 -6.731 157 1HA GLY 20 2HA GLY 20 -10.238 6.204 -9.417 158 2HA GLY 20 1HA GLY 20 -8.813 5.937 -8.403 159 H PHE 21 H PHE 21 -10.301 5.423 -6.017 160 HA PHE 21 HA PHE 21 -10.806 2.584 -6.311 161 1HB PHE 21 2HB PHE 21 -10.031 3.061 -4.203 162 2HB PHE 21 1HB PHE 21 -10.635 4.708 -4.259 163 HD1 PHE 21 1HD PHE 21 -11.013 1.572 -2.724 164 HD2 PHE 21 2HD PHE 21 -13.308 4.907 -4.149 165 HE1 PHE 21 1HE PHE 21 -12.878 0.922 -1.232 166 HE2 PHE 21 2HE PHE 21 -15.178 4.258 -2.657 167 HZ PHE 21 HZ PHE 21 -14.965 2.266 -1.198 168 H ALA 22 H ALA 22 -12.630 5.363 -6.940 169 HA ALA 22 HA ALA 22 -15.225 4.435 -6.123 170 1HB ALA 22 1HB ALA 22 -15.363 6.440 -8.127 171 2HB ALA 22 2HB ALA 22 -13.933 6.770 -7.148 172 3HB ALA 22 3HB ALA 22 -15.517 6.648 -6.383 173 H GLU 23 H GLU 23 -13.202 3.866 -8.843 174 HA GLU 23 HA GLU 23 -15.400 3.212 -10.701 175 1HB GLU 23 2HB GLU 23 -12.615 3.899 -10.764 176 2HB GLU 23 1HB GLU 23 -12.828 2.360 -11.596 177 1HG GLU 23 2HG GLU 23 -14.243 4.973 -12.178 178 2HG GLU 23 1HG GLU 23 -13.149 4.085 -13.240 179 H GLY 24 H GLY 24 -14.606 1.636 -8.086 180 1HA GLY 24 2HA GLY 24 -15.270 -0.666 -7.715 181 2HA GLY 24 1HA GLY 24 -14.765 -1.014 -9.364 182 H LYS 25 H LYS 25 -12.461 0.988 -8.306 183 HA LYS 25 HA LYS 25 -10.518 -1.157 -7.846 184 1HB LYS 25 2HB LYS 25 -10.570 1.835 -8.177 185 2HB LYS 25 1HB LYS 25 -9.102 1.069 -7.575 186 1HG LYS 25 2HG LYS 25 -9.551 -0.558 -9.647 187 2HG LYS 25 1HG LYS 25 -10.384 0.869 -10.263 188 1HD LYS 25 2HD LYS 25 -8.442 2.152 -10.314 189 2HD LYS 25 1HD LYS 25 -7.646 1.178 -9.080 190 1HE LYS 25 2HE LYS 25 -7.600 -0.733 -10.762 191 2HE LYS 25 1HE LYS 25 -8.110 0.448 -11.985 192 1HZ LYS 25 1HZ LYS 25 -6.233 1.876 -11.044 193 2HZ LYS 25 2HZ LYS 25 -5.797 0.568 -12.037 194 3HZ LYS 25 3HZ LYS 25 -5.648 0.443 -10.349 195 H TYR 26 H TYR 26 -9.681 -1.713 -5.799 196 HA TYR 26 HA TYR 26 -10.561 0.005 -3.514 197 1HB TYR 26 2HB TYR 26 -10.453 -3.014 -3.722 198 2HB TYR 26 1HB TYR 26 -10.866 -2.117 -2.260 199 HD1 TYR 26 1HD TYR 26 -12.042 -3.273 -5.509 200 HD2 TYR 26 2HD TYR 26 -12.908 -0.676 -2.197 201 HE1 TYR 26 1HE TYR 26 -14.396 -3.083 -6.270 202 HE2 TYR 26 2HE TYR 26 -15.267 -0.488 -2.958 203 HH TYR 26 HH TYR 26 -16.437 -0.767 -5.377 204 H THR 27 H THR 27 -8.769 0.930 -2.714 205 HA THR 27 HA THR 27 -6.122 -0.289 -2.854 206 HB THR 27 HB THR 27 -6.974 2.178 -1.339 207 HG1 THR 27 1HG THR 27 -6.560 3.205 -3.446 208 1HG2 THR 27 1HG2 THR 27 -4.512 0.976 -1.829 209 2HG2 THR 27 2HG2 THR 27 -4.768 2.638 -1.296 210 3HG2 THR 27 3HG2 THR 27 -4.591 2.280 -3.014 211 H PHE 28 H PHE 28 -5.305 -1.574 -1.250 212 HA PHE 28 HA PHE 28 -6.692 -1.504 1.414 213 1HB PHE 28 2HB PHE 28 -5.363 -3.776 -0.081 214 2HB PHE 28 1HB PHE 28 -6.156 -3.901 1.478 215 HD1 PHE 28 1HD PHE 28 -6.701 -5.131 -1.450 216 HD2 PHE 28 2HD PHE 28 -8.519 -2.119 1.011 217 HE1 PHE 28 1HE PHE 28 -8.877 -5.525 -2.578 218 HE2 PHE 28 2HE PHE 28 -10.694 -2.509 -0.117 219 HZ PHE 28 HZ PHE 28 -10.873 -4.214 -1.911 220 H TRP 29 H TRP 29 -5.386 -1.654 3.267 221 HA TRP 29 HA TRP 29 -2.508 -1.037 2.952 222 1HB TRP 29 2HB TRP 29 -4.560 -1.176 5.158 223 2HB TRP 29 1HB TRP 29 -2.854 -1.264 5.589 224 HD1 TRP 29 HD TRP 29 -5.266 1.200 5.714 225 HE1 TRP 29 1HE TRP 29 -4.406 3.555 5.121 226 HE3 TRP 29 3HE TRP 29 -0.925 -0.025 3.321 227 HZ2 TRP 29 2HZ TRP 29 -2.169 4.762 3.806 228 HZ3 TRP 29 3HZ TRP 29 0.551 1.745 2.412 229 HH2 TRP 29 HH TRP 29 -0.064 4.135 2.650 230 H VAL 30 H VAL 30 -1.088 -2.808 2.791 231 HA VAL 30 HA VAL 30 -1.956 -5.335 4.148 232 HB VAL 30 HB VAL 30 -1.643 -6.562 2.148 233 1HG1 VAL 30 1HG1 VAL 30 -3.012 -5.494 0.516 234 2HG1 VAL 30 2HG1 VAL 30 -2.560 -3.893 1.102 235 3HG1 VAL 30 3HG1 VAL 30 -3.586 -4.936 2.089 236 1HG2 VAL 30 1HG2 VAL 30 0.571 -5.543 1.596 237 2HG2 VAL 30 2HG2 VAL 30 -0.279 -4.131 0.963 238 3HG2 VAL 30 3HG2 VAL 30 -0.478 -5.702 0.187 239 H HIS 31 H HIS 31 -0.197 -6.899 4.389 240 HA HIS 31 HA HIS 31 2.242 -5.774 5.404 241 1HB HIS 31 2HB HIS 31 0.887 -8.171 5.437 242 2HB HIS 31 1HB HIS 31 2.224 -8.548 4.352 243 HD1 HIS 31 1HD HIS 31 1.406 -8.369 7.870 244 HD2 HIS 31 2HD HIS 31 4.858 -7.753 5.616 245 HE1 HIS 31 1HE HIS 31 3.350 -8.489 9.489 246 HA PRO 32 HA PRO 32 3.930 -4.952 1.412 247 1HB PRO 32 2HB PRO 32 6.597 -4.782 2.112 248 2HB PRO 32 1HB PRO 32 5.417 -3.494 2.412 249 1HG PRO 32 2HG PRO 32 6.423 -5.589 4.284 250 2HG PRO 32 1HG PRO 32 6.172 -3.857 4.568 251 1HD PRO 32 2HD PRO 32 4.395 -5.689 5.409 252 2HD PRO 32 1HD PRO 32 3.878 -4.092 4.815 253 H LYS 33 H LYS 33 3.259 -7.237 0.982 254 HA LYS 33 HA LYS 33 5.376 -8.825 -0.122 255 1HB LYS 33 2HB LYS 33 4.983 -10.720 1.638 256 2HB LYS 33 1HB LYS 33 6.030 -9.373 2.086 257 1HG LYS 33 2HG LYS 33 4.658 -8.835 3.785 258 2HG LYS 33 1HG LYS 33 3.302 -8.669 2.679 259 1HD LYS 33 2HD LYS 33 4.242 -11.379 3.620 260 2HD LYS 33 1HD LYS 33 3.075 -10.433 4.545 261 1HE LYS 33 2HE LYS 33 1.702 -10.258 2.390 262 2HE LYS 33 1HE LYS 33 2.769 -11.515 1.732 263 1HZ LYS 33 1HZ LYS 33 0.867 -11.672 3.960 264 2HZ LYS 33 2HZ LYS 33 2.282 -12.610 4.045 265 3HZ LYS 33 3HZ LYS 33 1.201 -12.811 2.749 266 H ALA 34 H ALA 34 2.118 -8.670 1.235 267 HA ALA 34 HA ALA 34 0.752 -10.872 0.355 268 1HB ALA 34 1HB ALA 34 -0.652 -8.529 -0.549 269 2HB ALA 34 2HB ALA 34 0.239 -8.126 0.918 270 3HB ALA 34 3HB ALA 34 -0.912 -9.459 0.924 271 H THR 35 H THR 35 1.763 -11.806 -1.549 272 HA THR 35 HA THR 35 2.472 -10.626 -3.958 273 HB THR 35 HB THR 35 1.304 -12.977 -4.749 274 HG1 THR 35 1HG THR 35 1.692 -14.324 -2.840 275 1HG2 THR 35 1HG2 THR 35 3.638 -12.545 -5.028 276 2HG2 THR 35 2HG2 THR 35 3.521 -14.001 -4.039 277 3HG2 THR 35 3HG2 THR 35 3.893 -12.450 -3.285 278 H LYS 36 H LYS 36 1.381 -9.832 -5.762 279 HA LYS 36 HA LYS 36 -1.126 -8.659 -5.665 280 1HB LYS 36 2HB LYS 36 0.448 -9.967 -7.890 281 2HB LYS 36 1HB LYS 36 -1.068 -9.129 -8.219 282 1HG LYS 36 2HG LYS 36 0.331 -7.367 -6.568 283 2HG LYS 36 1HG LYS 36 1.566 -8.016 -7.649 284 1HD LYS 36 2HD LYS 36 0.589 -7.118 -9.534 285 2HD LYS 36 1HD LYS 36 -1.039 -7.211 -8.862 286 1HE LYS 36 2HE LYS 36 -0.784 -5.223 -7.628 287 2HE LYS 36 1HE LYS 36 0.988 -5.309 -7.681 288 1HZ LYS 36 1HZ LYS 36 -0.870 -4.733 -9.918 289 2HZ LYS 36 2HZ LYS 36 0.753 -5.163 -10.166 290 3HZ LYS 36 3HZ LYS 36 0.369 -3.744 -9.317 291 H THR 37 H THR 37 -0.397 -12.003 -6.698 292 HA THR 37 HA THR 37 -3.068 -12.814 -7.271 293 HB THR 37 HB THR 37 -0.955 -14.546 -6.072 294 HG1 THR 37 1HG THR 37 -0.477 -14.566 -8.560 295 1HG2 THR 37 1HG2 THR 37 -2.645 -15.114 -8.484 296 2HG2 THR 37 2HG2 THR 37 -3.307 -15.316 -6.862 297 3HG2 THR 37 3HG2 THR 37 -1.901 -16.255 -7.363 298 H GLU 38 H GLU 38 -1.131 -13.123 -4.292 299 HA GLU 38 HA GLU 38 -3.115 -14.333 -2.659 300 1HB GLU 38 2HB GLU 38 -0.609 -12.764 -2.351 301 2HB GLU 38 1HB GLU 38 -1.658 -12.810 -0.932 302 1HG GLU 38 2HG GLU 38 -1.698 -15.435 -1.766 303 2HG GLU 38 1HG GLU 38 -0.041 -14.952 -2.132 304 H ILE 39 H ILE 39 -2.367 -10.885 -3.229 305 HA ILE 39 HA ILE 39 -4.289 -9.748 -1.473 306 HB ILE 39 HB ILE 39 -2.999 -8.946 -4.090 307 1HG1 ILE 39 2HG1 ILE 39 -2.723 -8.025 -1.212 308 2HG1 ILE 39 1HG1 ILE 39 -1.577 -9.030 -2.099 309 1HG2 ILE 39 1HG2 ILE 39 -4.004 -6.819 -4.050 310 2HG2 ILE 39 2HG2 ILE 39 -4.554 -7.006 -2.386 311 3HG2 ILE 39 3HG2 ILE 39 -5.352 -7.893 -3.683 312 1HD1 ILE 39 1HD1 ILE 39 -1.721 -6.177 -2.015 313 2HD1 ILE 39 2HD1 ILE 39 -2.090 -6.694 -3.663 314 3HD1 ILE 39 3HD1 ILE 39 -0.576 -7.187 -2.904 315 H LYS 40 H LYS 40 -4.570 -11.192 -4.663 316 HA LYS 40 HA LYS 40 -7.233 -10.302 -5.309 317 1HB LYS 40 2HB LYS 40 -5.401 -11.373 -6.763 318 2HB LYS 40 1HB LYS 40 -5.887 -12.913 -6.058 319 1HG LYS 40 2HG LYS 40 -7.978 -12.884 -7.071 320 2HG LYS 40 1HG LYS 40 -7.983 -11.129 -7.244 321 1HD LYS 40 2HD LYS 40 -6.015 -11.448 -8.868 322 2HD LYS 40 1HD LYS 40 -6.451 -13.157 -8.875 323 1HE LYS 40 2HE LYS 40 -8.780 -12.515 -9.561 324 2HE LYS 40 1HE LYS 40 -8.229 -10.833 -9.695 325 1HZ LYS 40 1HZ LYS 40 -7.511 -13.155 -11.324 326 2HZ LYS 40 2HZ LYS 40 -6.297 -12.006 -11.024 327 3HZ LYS 40 3HZ LYS 40 -7.741 -11.541 -11.789 328 H ASN 41 H ASN 41 -5.967 -13.285 -3.829 329 HA ASN 41 HA ASN 41 -8.574 -14.436 -3.304 330 1HB ASN 41 2HB ASN 41 -5.845 -15.011 -2.105 331 2HB ASN 41 1HB ASN 41 -7.227 -16.107 -2.122 332 1HD2 ASN 41 1HD2 ASN 41 -4.364 -15.728 -3.646 333 2HD2 ASN 41 2HD2 ASN 41 -4.764 -16.279 -5.200 334 H ALA 42 H ALA 42 -6.286 -12.473 -1.396 335 HA ALA 42 HA ALA 42 -7.424 -12.866 1.164 336 1HB ALA 42 1HB ALA 42 -6.497 -10.450 1.480 337 2HB ALA 42 2HB ALA 42 -5.947 -10.621 -0.191 338 3HB ALA 42 3HB ALA 42 -5.363 -11.739 1.050 339 H VAL 43 H VAL 43 -8.218 -10.298 -1.224 340 HA VAL 43 HA VAL 43 -10.430 -9.304 0.385 341 HB VAL 43 HB VAL 43 -10.965 -8.149 -1.870 342 1HG1 VAL 43 1HG1 VAL 43 -8.413 -7.090 -1.549 343 2HG1 VAL 43 2HG1 VAL 43 -8.776 -7.801 0.023 344 3HG1 VAL 43 3HG1 VAL 43 -9.861 -6.597 -0.672 345 1HG2 VAL 43 1HG2 VAL 43 -9.163 -10.086 -2.810 346 2HG2 VAL 43 2HG2 VAL 43 -8.258 -8.574 -2.836 347 3HG2 VAL 43 3HG2 VAL 43 -9.785 -8.703 -3.708 348 H GLU 44 H GLU 44 -10.139 -11.574 -2.338 349 HA GLU 44 HA GLU 44 -12.894 -11.880 -2.961 350 1HB GLU 44 2HB GLU 44 -10.351 -13.162 -3.446 351 2HB GLU 44 1HB GLU 44 -11.583 -14.392 -3.153 352 1HG GLU 44 2HG GLU 44 -12.289 -12.112 -4.953 353 2HG GLU 44 1HG GLU 44 -11.214 -13.360 -5.585 354 H THR 45 H THR 45 -10.904 -13.276 -0.391 355 HA THR 45 HA THR 45 -12.983 -15.097 0.569 356 HB THR 45 HB THR 45 -11.327 -15.544 2.299 357 HG1 THR 45 1HG THR 45 -9.746 -13.444 1.319 358 1HG2 THR 45 1HG2 THR 45 -10.502 -15.270 -0.528 359 2HG2 THR 45 2HG2 THR 45 -10.434 -16.676 0.533 360 3HG2 THR 45 3HG2 THR 45 -9.182 -15.436 0.631 361 H ALA 46 H ALA 46 -11.580 -12.000 1.664 362 HA ALA 46 HA ALA 46 -13.429 -11.761 3.917 363 1HB ALA 46 1HB ALA 46 -11.408 -10.730 4.340 364 2HB ALA 46 2HB ALA 46 -12.288 -9.342 3.699 365 3HB ALA 46 3HB ALA 46 -11.187 -10.246 2.659 366 H PHE 47 H PHE 47 -12.949 -9.767 0.952 367 HA PHE 47 HA PHE 47 -15.419 -8.312 1.339 368 1HB PHE 47 2HB PHE 47 -13.347 -8.647 -0.807 369 2HB PHE 47 1HB PHE 47 -14.842 -7.790 -1.182 370 HD1 PHE 47 1HD PHE 47 -15.483 -6.439 1.327 371 HD2 PHE 47 2HD PHE 47 -11.680 -7.000 -0.583 372 HE1 PHE 47 1HE PHE 47 -14.614 -4.415 2.467 373 HE2 PHE 47 2HE PHE 47 -10.808 -4.976 0.555 374 HZ PHE 47 HZ PHE 47 -12.276 -3.684 2.079 375 H LYS 48 H LYS 48 -14.621 -11.356 -0.122 376 HA LYS 48 HA LYS 48 -15.961 -12.972 -1.189 377 1HB LYS 48 2HB LYS 48 -17.477 -11.565 0.799 378 2HB LYS 48 1HB LYS 48 -18.544 -11.932 -0.556 379 1HG LYS 48 2HG LYS 48 -16.780 -13.933 0.884 380 2HG LYS 48 1HG LYS 48 -18.527 -13.785 1.072 381 1HD LYS 48 2HD LYS 48 -18.360 -13.986 -1.627 382 2HD LYS 48 1HD LYS 48 -16.960 -14.951 -1.158 383 1HE LYS 48 2HE LYS 48 -18.714 -15.972 0.592 384 2HE LYS 48 1HE LYS 48 -19.861 -15.471 -0.667 385 1HZ LYS 48 1HZ LYS 48 -18.076 -16.489 -2.234 386 2HZ LYS 48 2HZ LYS 48 -19.192 -17.509 -1.458 387 3HZ LYS 48 3HZ LYS 48 -17.611 -17.357 -0.854 388 H VAL 49 H VAL 49 -15.108 -10.865 -2.828 389 HA VAL 49 HA VAL 49 -17.472 -10.480 -4.614 390 HB VAL 49 HB VAL 49 -16.020 -8.587 -3.247 391 1HG1 VAL 49 1HG1 VAL 49 -14.126 -9.245 -4.961 392 2HG1 VAL 49 2HG1 VAL 49 -14.409 -7.555 -4.549 393 3HG1 VAL 49 3HG1 VAL 49 -15.052 -8.213 -6.052 394 1HG2 VAL 49 1HG2 VAL 49 -17.983 -7.803 -4.063 395 2HG2 VAL 49 2HG2 VAL 49 -17.793 -8.633 -5.607 396 3HG2 VAL 49 3HG2 VAL 49 -16.930 -7.125 -5.305 397 H LYS 50 H LYS 50 -16.078 -9.545 -6.819 398 HA LYS 50 HA LYS 50 -14.352 -11.894 -7.536 399 1HB LYS 50 2HB LYS 50 -16.726 -11.309 -8.596 400 2HB LYS 50 1HB LYS 50 -15.761 -10.190 -9.562 401 1HG LYS 50 2HG LYS 50 -14.726 -12.971 -9.264 402 2HG LYS 50 1HG LYS 50 -16.134 -12.742 -10.304 403 1HD LYS 50 2HD LYS 50 -14.710 -10.744 -11.278 404 2HD LYS 50 1HD LYS 50 -13.354 -11.655 -10.611 405 1HE LYS 50 2HE LYS 50 -13.458 -12.683 -12.680 406 2HE LYS 50 1HE LYS 50 -14.681 -13.670 -11.855 407 1HZ LYS 50 1HZ LYS 50 -16.377 -12.098 -12.553 408 2HZ LYS 50 2HZ LYS 50 -15.564 -12.724 -13.907 409 3HZ LYS 50 3HZ LYS 50 -15.214 -11.157 -13.352 410 H VAL 51 H VAL 51 -12.259 -11.122 -7.365 411 HA VAL 51 HA VAL 51 -11.579 -8.340 -7.927 412 HB VAL 51 HB VAL 51 -9.974 -10.864 -7.419 413 1HG1 VAL 51 1HG1 VAL 51 -8.345 -8.791 -6.724 414 2HG1 VAL 51 2HG1 VAL 51 -9.179 -8.097 -8.115 415 3HG1 VAL 51 3HG1 VAL 51 -8.279 -9.603 -8.288 416 1HG2 VAL 51 1HG2 VAL 51 -9.809 -10.069 -5.162 417 2HG2 VAL 51 2HG2 VAL 51 -11.511 -9.928 -5.605 418 3HG2 VAL 51 3HG2 VAL 51 -10.481 -8.497 -5.598 419 H VAL 52 H VAL 52 -11.355 -7.586 -9.979 420 HA VAL 52 HA VAL 52 -10.681 -9.510 -12.156 421 HB VAL 52 HB VAL 52 -12.757 -8.023 -12.143 422 1HG1 VAL 52 1HG1 VAL 52 -11.050 -5.790 -13.106 423 2HG1 VAL 52 2HG1 VAL 52 -11.117 -6.044 -11.364 424 3HG1 VAL 52 3HG1 VAL 52 -12.601 -5.745 -12.269 425 1HG2 VAL 52 1HG2 VAL 52 -11.371 -7.106 -14.523 426 2HG2 VAL 52 2HG2 VAL 52 -12.715 -8.245 -14.381 427 3HG2 VAL 52 3HG2 VAL 52 -11.050 -8.808 -14.195 428 H LYS 53 H LYS 53 -9.117 -7.407 -10.125 429 HA LYS 53 HA LYS 53 -6.669 -7.425 -11.573 430 1HB LYS 53 2HB LYS 53 -6.768 -5.556 -12.886 431 2HB LYS 53 1HB LYS 53 -8.508 -5.751 -12.727 432 1HG LYS 53 2HG LYS 53 -8.364 -3.574 -12.037 433 2HG LYS 53 1HG LYS 53 -8.039 -4.338 -10.487 434 1HD LYS 53 2HD LYS 53 -6.171 -3.026 -10.526 435 2HD LYS 53 1HD LYS 53 -5.537 -4.320 -11.545 436 1HE LYS 53 2HE LYS 53 -6.974 -2.721 -13.331 437 2HE LYS 53 1HE LYS 53 -6.154 -1.560 -12.266 438 1HZ LYS 53 1HZ LYS 53 -4.173 -3.171 -12.525 439 2HZ LYS 53 2HZ LYS 53 -4.508 -2.077 -13.782 440 3HZ LYS 53 3HZ LYS 53 -4.982 -3.702 -13.918 441 H VAL 54 H VAL 54 -5.014 -6.734 -10.214 442 HA VAL 54 HA VAL 54 -5.779 -5.214 -7.760 443 HB VAL 54 HB VAL 54 -4.801 -7.974 -8.054 444 1HG1 VAL 54 1HG1 VAL 54 -3.427 -6.093 -6.104 445 2HG1 VAL 54 2HG1 VAL 54 -2.653 -7.016 -7.394 446 3HG1 VAL 54 3HG1 VAL 54 -3.353 -7.854 -6.009 447 1HG2 VAL 54 1HG2 VAL 54 -6.725 -6.578 -6.622 448 2HG2 VAL 54 2HG2 VAL 54 -5.521 -6.980 -5.396 449 3HG2 VAL 54 3HG2 VAL 54 -6.269 -8.261 -6.354 450 H ASN 55 H ASN 55 -4.428 -3.501 -7.457 451 HA ASN 55 HA ASN 55 -1.661 -3.681 -8.578 452 1HB ASN 55 2HB ASN 55 -3.425 -2.337 -9.913 453 2HB ASN 55 1HB ASN 55 -3.361 -1.181 -8.581 454 1HD2 ASN 55 1HD2 ASN 55 -2.050 0.531 -9.241 455 2HD2 ASN 55 2HD2 ASN 55 -0.554 0.362 -10.027 456 H THR 56 H THR 56 -0.337 -3.592 -6.825 457 HA THR 56 HA THR 56 -1.131 -1.788 -4.573 458 HB THR 56 HB THR 56 -0.914 -3.672 -3.328 459 HG1 THR 56 1HG THR 56 1.773 -3.608 -4.222 460 1HG2 THR 56 1HG2 THR 56 -1.294 -5.102 -5.240 461 2HG2 THR 56 2HG2 THR 56 0.001 -5.802 -4.270 462 3HG2 THR 56 3HG2 THR 56 0.386 -4.933 -5.756 463 H LEU 57 H LEU 57 0.528 -0.457 -3.682 464 HA LEU 57 HA LEU 57 3.058 -0.329 -5.290 465 1HB LEU 57 2HB LEU 57 2.738 2.210 -4.923 466 2HB LEU 57 1HB LEU 57 1.664 1.426 -6.080 467 HG LEU 57 HG LEU 57 0.792 1.520 -3.225 468 1HD1 LEU 57 1HD1 LEU 57 0.046 3.771 -3.332 469 2HD1 LEU 57 2HD1 LEU 57 0.363 3.878 -5.064 470 3HD1 LEU 57 3HD1 LEU 57 1.706 3.828 -3.924 471 1HD2 LEU 57 1HD2 LEU 57 -1.217 2.290 -5.055 472 2HD2 LEU 57 2HD2 LEU 57 -1.038 0.720 -4.273 473 3HD2 LEU 57 3HD2 LEU 57 -0.307 1.008 -5.852 474 H HIS 58 H HIS 58 4.741 1.058 -4.085 475 HA HIS 58 HA HIS 58 5.006 0.061 -1.344 476 1HB HIS 58 2HB HIS 58 6.875 0.211 -2.962 477 2HB HIS 58 1HB HIS 58 6.673 1.963 -3.026 478 HD1 HIS 58 1HD HIS 58 9.337 0.757 -2.026 479 HD2 HIS 58 2HD HIS 58 6.186 1.805 0.498 480 HE1 HIS 58 1HE HIS 58 10.347 1.126 0.267 481 H VAL 59 H VAL 59 3.964 1.116 0.296 482 HA VAL 59 HA VAL 59 3.753 4.105 0.146 483 HB VAL 59 HB VAL 59 1.872 3.001 1.985 484 1HG1 VAL 59 1HG1 VAL 59 1.657 5.071 0.638 485 2HG1 VAL 59 2HG1 VAL 59 0.254 4.016 0.458 486 3HG1 VAL 59 3HG1 VAL 59 1.474 4.086 -0.814 487 1HG2 VAL 59 1HG2 VAL 59 1.751 1.662 -0.739 488 2HG2 VAL 59 2HG2 VAL 59 0.561 1.505 0.553 489 3HG2 VAL 59 3HG2 VAL 59 2.182 0.846 0.763 490 H ARG 60 H ARG 60 4.548 5.238 1.907 491 HA ARG 60 HA ARG 60 5.155 3.758 4.420 492 1HB ARG 60 2HB ARG 60 7.128 5.316 2.720 493 2HB ARG 60 1HB ARG 60 7.479 4.683 4.328 494 1HG ARG 60 2HG ARG 60 6.626 3.003 1.950 495 2HG ARG 60 1HG ARG 60 8.283 3.162 2.532 496 1HD ARG 60 2HD ARG 60 7.663 2.181 4.691 497 2HD ARG 60 1HD ARG 60 5.964 2.091 4.184 498 HE ARG 60 HE ARG 60 6.835 0.624 2.263 499 1HH1 ARG 60 1HH2 ARG 60 9.481 1.265 4.119 500 2HH1 ARG 60 2HH2 ARG 60 9.849 -0.378 4.527 501 1HH2 ARG 60 1HH1 ARG 60 6.869 -1.635 3.280 502 2HH2 ARG 60 2HH1 ARG 60 8.371 -2.020 4.052 503 H GLY 61 H GLY 61 5.319 5.173 6.252 504 1HA GLY 61 2HA GLY 61 3.708 7.508 6.205 505 2HA GLY 61 1HA GLY 61 4.833 7.098 7.501 506 H LYS 62 H LYS 62 4.227 9.256 4.959 507 HA LYS 62 HA LYS 62 7.026 10.034 4.493 508 1HB LYS 62 2HB LYS 62 5.294 10.138 2.742 509 2HB LYS 62 1HB LYS 62 4.356 11.263 3.725 510 1HG LYS 62 2HG LYS 62 5.514 12.964 2.818 511 2HG LYS 62 1HG LYS 62 6.976 12.328 3.570 512 1HD LYS 62 2HD LYS 62 6.680 10.649 1.416 513 2HD LYS 62 1HD LYS 62 6.094 12.180 0.764 514 1HE LYS 62 2HE LYS 62 8.333 12.555 0.388 515 2HE LYS 62 1HE LYS 62 8.330 13.019 2.101 516 1HZ LYS 62 1HZ LYS 62 9.974 11.235 1.456 517 2HZ LYS 62 2HZ LYS 62 8.642 10.210 1.209 518 3HZ LYS 62 3HZ LYS 62 8.946 10.857 2.751 519 H LYS 63 H LYS 63 6.986 10.269 7.105 520 HA LYS 63 HA LYS 63 6.153 13.059 7.803 521 1HB LYS 63 2HB LYS 63 5.307 11.028 9.073 522 2HB LYS 63 1HB LYS 63 6.967 10.767 9.611 523 1HG LYS 63 2HG LYS 63 6.934 12.566 11.027 524 2HG LYS 63 1HG LYS 63 5.895 13.516 9.963 525 1HD LYS 63 2HD LYS 63 3.973 12.057 10.603 526 2HD LYS 63 1HD LYS 63 5.026 11.222 11.747 527 1HE LYS 63 2HE LYS 63 4.875 14.214 11.901 528 2HE LYS 63 1HE LYS 63 3.531 13.262 12.563 529 1HZ LYS 63 1HZ LYS 63 4.920 12.139 14.012 530 2HZ LYS 63 2HZ LYS 63 5.569 13.709 14.055 531 3HZ LYS 63 3HZ LYS 63 6.323 12.500 13.129 532 H LYS 64 H LYS 64 7.845 14.479 7.606 533 HA LYS 64 HA LYS 64 10.051 15.334 7.687 534 1HB LYS 64 2HB LYS 64 9.351 14.794 10.093 535 2HB LYS 64 1HB LYS 64 10.316 13.326 9.938 536 1HG LYS 64 2HG LYS 64 11.944 15.418 8.969 537 2HG LYS 64 1HG LYS 64 11.203 16.029 10.449 538 1HD LYS 64 2HD LYS 64 12.201 13.237 10.562 539 2HD LYS 64 1HD LYS 64 13.436 14.491 10.438 540 1HE LYS 64 2HE LYS 64 11.226 14.952 12.399 541 2HE LYS 64 1HE LYS 64 12.462 13.748 12.820 542 1HZ LYS 64 1HZ LYS 64 12.853 16.306 13.250 543 2HZ LYS 64 2HZ LYS 64 13.350 16.268 11.625 544 3HZ LYS 64 3HZ LYS 64 14.122 15.286 12.777 545 H ARG 65 H ARG 65 10.374 14.033 5.584 546 HA ARG 65 HA ARG 65 12.586 12.060 6.007 547 1HB ARG 65 2HB ARG 65 10.112 11.263 5.407 548 2HB ARG 65 1HB ARG 65 10.620 11.707 3.777 549 1HG ARG 65 2HG ARG 65 12.307 10.097 3.717 550 2HG ARG 65 1HG ARG 65 12.428 10.014 5.475 551 1HD ARG 65 2HD ARG 65 9.766 9.261 4.473 552 2HD ARG 65 1HD ARG 65 11.064 8.184 3.918 553 HE ARG 65 HE ARG 65 11.736 8.420 6.517 554 1HH1 ARG 65 1HH1 ARG 65 9.646 6.444 5.046 555 2HH1 ARG 65 2HH1 ARG 65 8.522 6.269 6.353 556 1HH2 ARG 65 1HH2 ARG 65 9.864 8.874 8.206 557 2HH2 ARG 65 2HH2 ARG 65 8.646 7.646 8.141 558 H LEU 66 H LEU 66 10.860 13.983 3.518 559 HA LEU 66 HA LEU 66 11.709 15.201 1.679 560 1HB LEU 66 2HB LEU 66 13.509 15.493 3.995 561 2HB LEU 66 1HB LEU 66 14.265 15.881 2.448 562 HG LEU 66 HG LEU 66 12.280 17.352 1.940 563 1HD1 LEU 66 1HD1 LEU 66 10.480 17.269 3.287 564 2HD1 LEU 66 2HD1 LEU 66 11.467 17.795 4.650 565 3HD1 LEU 66 3HD1 LEU 66 11.298 16.075 4.295 566 1HD2 LEU 66 1HD2 LEU 66 13.344 19.143 2.900 567 2HD2 LEU 66 2HD2 LEU 66 14.561 17.925 3.284 568 3HD2 LEU 66 3HD2 LEU 66 13.374 18.397 4.498 569 H GLY 67 H GLY 67 11.805 12.591 1.052 570 1HA GLY 67 2HA GLY 67 13.006 10.882 -0.040 571 2HA GLY 67 1HA GLY 67 13.682 12.248 -0.925 572 H ARG 68 H ARG 68 14.085 11.068 2.431 573 HA ARG 68 HA ARG 68 16.968 10.596 1.904 574 1HB ARG 68 2HB ARG 68 15.748 12.834 3.449 575 2HB ARG 68 1HB ARG 68 17.176 12.075 4.154 576 1HG ARG 68 2HG ARG 68 18.506 12.558 2.233 577 2HG ARG 68 1HG ARG 68 17.089 12.983 1.273 578 1HD ARG 68 2HD ARG 68 16.672 14.907 2.848 579 2HD ARG 68 1HD ARG 68 18.226 14.535 3.623 580 HE ARG 68 HE ARG 68 19.355 15.232 1.632 581 1HH1 ARG 68 1HH2 ARG 68 16.729 16.994 1.715 582 2HH1 ARG 68 2HH2 ARG 68 16.358 17.011 0.023 583 1HH2 ARG 68 1HH1 ARG 68 18.541 14.432 -0.753 584 2HH2 ARG 68 2HH1 ARG 68 17.384 15.561 -1.374 585 H TYR 69 H TYR 69 17.949 9.985 4.264 586 HA TYR 69 HA TYR 69 16.114 7.889 5.338 587 1HB TYR 69 2HB TYR 69 18.290 7.202 4.430 588 2HB TYR 69 1HB TYR 69 19.114 8.328 5.510 589 HD1 TYR 69 1HD TYR 69 20.411 6.624 6.672 590 HD2 TYR 69 2HD TYR 69 16.123 6.426 6.525 591 HE1 TYR 69 1HE TYR 69 20.430 4.903 8.458 592 HE2 TYR 69 2HE TYR 69 16.141 4.704 8.309 593 HH TYR 69 HH TYR 69 17.607 3.954 10.123 594 H LEU 70 H LEU 70 15.307 10.260 6.333 595 HA LEU 70 HA LEU 70 16.703 10.654 8.945 596 1HB LEU 70 2HB LEU 70 15.412 12.304 6.961 597 2HB LEU 70 1HB LEU 70 14.651 12.543 8.531 598 HG LEU 70 HG LEU 70 17.591 12.426 8.636 599 1HD1 LEU 70 1HD1 LEU 70 16.328 14.030 6.605 600 2HD1 LEU 70 2HD1 LEU 70 18.041 13.906 7.001 601 3HD1 LEU 70 3HD1 LEU 70 17.028 15.087 7.830 602 1HD2 LEU 70 1HD2 LEU 70 17.137 14.516 10.006 603 2HD2 LEU 70 2HD2 LEU 70 16.325 13.061 10.586 604 3HD2 LEU 70 3HD2 LEU 70 15.421 14.271 9.675 605 H GLY 71 H GLY 71 15.111 8.361 8.593 606 1HA GLY 71 2HA GLY 71 13.420 8.460 10.884 607 2HA GLY 71 1HA GLY 71 12.410 8.601 9.446 608 H LYS 72 H LYS 72 11.829 6.409 10.761 609 HA LYS 72 HA LYS 72 13.544 4.162 9.847 610 1HB LYS 72 2HB LYS 72 11.187 4.506 11.712 611 2HB LYS 72 1HB LYS 72 11.795 2.910 11.273 612 1HG LYS 72 2HG LYS 72 13.748 3.174 12.453 613 2HG LYS 72 1HG LYS 72 13.809 4.913 12.165 614 1HD LYS 72 2HD LYS 72 11.642 4.909 13.693 615 2HD LYS 72 1HD LYS 72 12.327 3.393 14.278 616 1HE LYS 72 2HE LYS 72 14.558 4.885 14.383 617 2HE LYS 72 1HE LYS 72 13.359 6.178 14.593 618 1HZ LYS 72 1HZ LYS 72 13.779 3.762 16.235 619 2HZ LYS 72 2HZ LYS 72 12.255 4.513 16.194 620 3HZ LYS 72 3HZ LYS 72 13.616 5.373 16.737 621 H ARG 73 H ARG 73 12.531 2.350 8.677 622 HA ARG 73 HA ARG 73 10.249 3.250 6.949 623 1HB ARG 73 2HB ARG 73 12.755 1.641 6.520 624 2HB ARG 73 1HB ARG 73 11.375 1.405 5.445 625 1HG ARG 73 2HG ARG 73 11.342 3.901 5.073 626 2HG ARG 73 1HG ARG 73 12.859 3.993 5.970 627 1HD ARG 73 2HD ARG 73 13.348 1.959 4.141 628 2HD ARG 73 1HD ARG 73 12.400 3.132 3.207 629 HE ARG 73 HE ARG 73 15.037 3.634 4.429 630 1HH1 ARG 73 1HH1 ARG 73 12.936 4.459 1.983 631 2HH1 ARG 73 2HH1 ARG 73 13.272 6.158 2.009 632 1HH2 ARG 73 1HH2 ARG 73 15.143 6.014 4.925 633 2HH2 ARG 73 2HH2 ARG 73 14.520 7.038 3.674 634 HA PRO 74 HA PRO 74 8.486 -0.239 9.274 635 1HB PRO 74 2HB PRO 74 5.901 0.572 8.964 636 2HB PRO 74 1HB PRO 74 6.966 1.218 10.226 637 1HG PRO 74 2HG PRO 74 6.183 2.411 7.617 638 2HG PRO 74 1HG PRO 74 6.422 3.190 9.189 639 1HD PRO 74 2HD PRO 74 8.259 3.260 7.165 640 2HD PRO 74 1HD PRO 74 8.679 3.398 8.886 641 H ASP 75 H ASP 75 6.100 -1.304 8.409 642 HA ASP 75 HA ASP 75 6.676 -2.049 5.572 643 1HB ASP 75 2HB ASP 75 5.939 -3.510 8.057 644 2HB ASP 75 1HB ASP 75 5.176 -4.080 6.573 645 H ARG 76 H ARG 76 5.316 -0.365 4.774 646 HA ARG 76 HA ARG 76 2.389 -0.735 5.306 647 1HB ARG 76 2HB ARG 76 3.020 1.379 6.149 648 2HB ARG 76 1HB ARG 76 4.167 1.657 4.839 649 1HG ARG 76 2HG ARG 76 2.194 1.721 3.258 650 2HG ARG 76 1HG ARG 76 1.146 1.719 4.677 651 1HD ARG 76 2HD ARG 76 3.326 3.708 4.805 652 2HD ARG 76 1HD ARG 76 2.138 4.003 3.521 653 HE ARG 76 HE ARG 76 0.491 4.363 5.186 654 1HH1 ARG 76 1HH1 ARG 76 3.161 4.870 6.816 655 2HH1 ARG 76 2HH1 ARG 76 2.721 4.097 8.303 656 1HH2 ARG 76 1HH2 ARG 76 -0.034 2.480 6.954 657 2HH2 ARG 76 2HH2 ARG 76 0.913 2.744 8.380 658 H LYS 77 H LYS 77 1.513 -1.768 3.534 659 HA LYS 77 HA LYS 77 2.524 -0.979 0.818 660 1HB LYS 77 2HB LYS 77 3.094 -3.286 1.703 661 2HB LYS 77 1HB LYS 77 1.367 -3.639 1.688 662 1HG LYS 77 2HG LYS 77 1.337 -3.028 -0.755 663 2HG LYS 77 1HG LYS 77 3.097 -2.919 -0.689 664 1HD LYS 77 2HD LYS 77 3.339 -5.166 -0.714 665 2HD LYS 77 1HD LYS 77 2.079 -5.393 0.497 666 1HE LYS 77 2HE LYS 77 0.861 -6.275 -1.222 667 2HE LYS 77 1HE LYS 77 0.640 -4.590 -1.736 668 1HZ LYS 77 1HZ LYS 77 1.687 -5.368 -3.580 669 2HZ LYS 77 2HZ LYS 77 2.491 -6.611 -2.748 670 3HZ LYS 77 3HZ LYS 77 3.068 -5.016 -2.662 671 H LYS 78 H LYS 78 0.957 -0.474 -0.712 672 HA LYS 78 HA LYS 78 -1.888 -0.433 0.226 673 1HB LYS 78 2HB LYS 78 -0.080 1.331 -1.258 674 2HB LYS 78 1HB LYS 78 -1.616 1.100 -2.091 675 1HG LYS 78 2HG LYS 78 -2.537 1.476 0.415 676 2HG LYS 78 1HG LYS 78 -1.055 2.428 0.510 677 1HD LYS 78 2HD LYS 78 -2.819 2.762 -1.887 678 2HD LYS 78 1HD LYS 78 -3.300 3.526 -0.372 679 1HE LYS 78 2HE LYS 78 -0.457 3.863 -1.263 680 2HE LYS 78 1HE LYS 78 -1.713 4.811 -2.082 681 1HZ LYS 78 1HZ LYS 78 -2.311 5.868 -0.168 682 2HZ LYS 78 2HZ LYS 78 -0.662 5.630 0.169 683 3HZ LYS 78 3HZ LYS 78 -1.829 4.589 0.836 684 H ALA 79 H ALA 79 -3.479 -1.450 -1.081 685 HA ALA 79 HA ALA 79 -2.507 -2.792 -3.580 686 1HB ALA 79 1HB ALA 79 -2.914 -4.065 -1.221 687 2HB ALA 79 2HB ALA 79 -3.144 -4.834 -2.796 688 3HB ALA 79 3HB ALA 79 -4.532 -4.162 -1.926 689 H ILE 80 H ILE 80 -3.724 -2.070 -5.235 690 HA ILE 80 HA ILE 80 -6.511 -1.179 -4.700 691 HB ILE 80 HB ILE 80 -4.469 -0.758 -6.884 692 1HG1 ILE 80 2HG1 ILE 80 -4.761 1.588 -6.251 693 2HG1 ILE 80 1HG1 ILE 80 -6.013 1.149 -5.096 694 1HG2 ILE 80 1HG2 ILE 80 -7.431 -0.473 -6.952 695 2HG2 ILE 80 2HG2 ILE 80 -6.302 -0.794 -8.269 696 3HG2 ILE 80 3HG2 ILE 80 -6.491 0.846 -7.647 697 1HD1 ILE 80 1HD1 ILE 80 -4.498 0.221 -3.610 698 2HD1 ILE 80 2HD1 ILE 80 -3.501 1.496 -4.314 699 3HD1 ILE 80 3HD1 ILE 80 -3.332 -0.167 -4.876 700 H VAL 81 H VAL 81 -7.952 -2.818 -4.955 701 HA VAL 81 HA VAL 81 -7.467 -4.826 -7.121 702 HB VAL 81 HB VAL 81 -9.281 -4.911 -4.692 703 1HG1 VAL 81 1HG1 VAL 81 -8.860 -7.468 -5.272 704 2HG1 VAL 81 2HG1 VAL 81 -8.569 -6.820 -6.886 705 3HG1 VAL 81 3HG1 VAL 81 -10.124 -6.554 -6.097 706 1HG2 VAL 81 1HG2 VAL 81 -6.395 -5.365 -5.052 707 2HG2 VAL 81 2HG2 VAL 81 -7.234 -6.714 -4.287 708 3HG2 VAL 81 3HG2 VAL 81 -7.313 -5.106 -3.570 709 H GLN 82 H GLN 82 -8.951 -4.966 -8.811 710 HA GLN 82 HA GLN 82 -11.312 -3.127 -8.666 711 1HB GLN 82 2HB GLN 82 -9.485 -2.849 -10.414 712 2HB GLN 82 1HB GLN 82 -9.974 -4.403 -11.066 713 1HG GLN 82 2HG GLN 82 -11.398 -3.174 -12.337 714 2HG GLN 82 1HG GLN 82 -12.384 -3.144 -10.876 715 1HE2 GLN 82 1HE2 GLN 82 -13.022 -1.067 -10.310 716 2HE2 GLN 82 2HE2 GLN 82 -12.139 0.348 -10.623 717 H VAL 83 H VAL 83 -13.344 -4.011 -9.442 718 HA VAL 83 HA VAL 83 -13.293 -6.986 -9.549 719 HB VAL 83 HB VAL 83 -15.360 -7.024 -8.414 720 1HG1 VAL 83 1HG1 VAL 83 -13.521 -6.390 -6.921 721 2HG1 VAL 83 2HG1 VAL 83 -15.003 -5.576 -6.418 722 3HG1 VAL 83 3HG1 VAL 83 -13.767 -4.687 -7.309 723 1HG2 VAL 83 1HG2 VAL 83 -16.539 -5.361 -9.743 724 2HG2 VAL 83 2HG2 VAL 83 -15.559 -4.062 -9.047 725 3HG2 VAL 83 3HG2 VAL 83 -16.701 -4.949 -8.033 726 H ALA 84 H ALA 84 -14.802 -7.939 -11.044 727 HA ALA 84 HA ALA 84 -14.788 -6.889 -13.633 728 1HB ALA 84 1HB ALA 84 -16.000 -9.012 -12.118 729 2HB ALA 84 2HB ALA 84 -15.538 -8.983 -13.824 730 3HB ALA 84 3HB ALA 84 -17.134 -8.412 -13.328 731 HA PRO 85 HA PRO 85 -18.001 -3.963 -14.036 732 1HB PRO 85 2HB PRO 85 -19.553 -4.881 -16.100 733 2HB PRO 85 1HB PRO 85 -17.931 -4.222 -16.330 734 1HG PRO 85 2HG PRO 85 -18.816 -7.026 -16.261 735 2HG PRO 85 1HG PRO 85 -17.589 -6.262 -17.269 736 1HD PRO 85 2HD PRO 85 -17.006 -7.785 -15.077 737 2HD PRO 85 1HD PRO 85 -15.956 -6.491 -15.678 738 H GLY 86 H GLY 86 -19.997 -3.494 -13.121 739 1HA GLY 86 2HA GLY 86 -22.231 -3.938 -12.379 740 2HA GLY 86 1HA GLY 86 -21.983 -5.648 -12.740 741 H GLN 87 H GLN 87 -19.333 -5.552 -11.291 742 HA GLN 87 HA GLN 87 -20.446 -6.023 -8.583 743 1HB GLN 87 2HB GLN 87 -17.915 -6.682 -10.084 744 2HB GLN 87 1HB GLN 87 -18.012 -6.909 -8.337 745 1HG GLN 87 2HG GLN 87 -20.106 -8.258 -8.713 746 2HG GLN 87 1HG GLN 87 -19.776 -8.172 -10.443 747 1HE2 GLN 87 1HE2 GLN 87 -19.005 -10.235 -10.985 748 2HE2 GLN 87 2HE2 GLN 87 -17.755 -11.039 -10.165 749 H LYS 88 H LYS 88 -19.176 -5.218 -6.700 750 HA LYS 88 HA LYS 88 -17.203 -3.151 -6.894 751 1HB LYS 88 2HB LYS 88 -18.742 -1.224 -6.385 752 2HB LYS 88 1HB LYS 88 -18.998 -1.918 -7.986 753 1HG LYS 88 2HG LYS 88 -21.174 -2.093 -7.389 754 2HG LYS 88 1HG LYS 88 -20.659 -3.443 -6.379 755 1HD LYS 88 2HD LYS 88 -21.428 -2.255 -4.619 756 2HD LYS 88 1HD LYS 88 -20.033 -1.200 -4.851 757 1HE LYS 88 2HE LYS 88 -21.388 0.501 -5.477 758 2HE LYS 88 1HE LYS 88 -22.111 -0.508 -6.746 759 1HZ LYS 88 1HZ LYS 88 -22.804 -1.070 -3.956 760 2HZ LYS 88 2HZ LYS 88 -23.737 -1.269 -5.362 761 3HZ LYS 88 3HZ LYS 88 -23.524 0.278 -4.691 762 H ILE 89 H ILE 89 -16.325 -4.086 -5.001 763 HA ILE 89 HA ILE 89 -17.571 -5.065 -2.726 764 HB ILE 89 HB ILE 89 -15.134 -3.256 -2.854 765 1HG1 ILE 89 2HG1 ILE 89 -15.552 -6.205 -3.393 766 2HG1 ILE 89 1HG1 ILE 89 -14.811 -5.005 -4.450 767 1HG2 ILE 89 1HG2 ILE 89 -16.398 -4.305 -0.631 768 2HG2 ILE 89 2HG2 ILE 89 -14.699 -3.841 -0.708 769 3HG2 ILE 89 3HG2 ILE 89 -15.168 -5.518 -0.985 770 1HD1 ILE 89 1HD1 ILE 89 -12.863 -5.855 -3.623 771 2HD1 ILE 89 2HD1 ILE 89 -13.641 -6.492 -2.174 772 3HD1 ILE 89 3HD1 ILE 89 -13.209 -4.785 -2.264 773 H GLU 90 H GLU 90 -19.485 -3.953 -2.168 774 HA GLU 90 HA GLU 90 -19.691 -1.107 -1.860 775 1HB GLU 90 2HB GLU 90 -21.817 -1.788 -0.672 776 2HB GLU 90 1HB GLU 90 -21.613 -2.515 -2.266 777 1HG GLU 90 2HG GLU 90 -21.832 -4.538 -1.306 778 2HG GLU 90 1HG GLU 90 -20.308 -4.248 -0.465 779 H ALA 91 H ALA 91 -18.244 -3.486 0.142 780 HA ALA 91 HA ALA 91 -18.780 -2.604 2.759 781 1HB ALA 91 1HB ALA 91 -17.533 -4.595 2.375 782 2HB ALA 91 2HB ALA 91 -16.388 -3.486 3.128 783 3HB ALA 91 3HB ALA 91 -16.343 -3.749 1.386 784 H LEU 92 H LEU 92 -16.533 -1.215 0.362 785 HA LEU 92 HA LEU 92 -15.785 0.886 2.364 786 1HB LEU 92 2HB LEU 92 -14.446 0.731 -0.281 787 2HB LEU 92 1HB LEU 92 -13.742 0.954 1.316 788 HG LEU 92 HG LEU 92 -14.729 -1.642 0.113 789 1HD1 LEU 92 1HD1 LEU 92 -12.047 -1.689 1.131 790 2HD1 LEU 92 2HD1 LEU 92 -12.217 -0.294 0.066 791 3HD1 LEU 92 3HD1 LEU 92 -12.589 -1.911 -0.534 792 1HD2 LEU 92 1HD2 LEU 92 -15.096 -2.264 2.260 793 2HD2 LEU 92 2HD2 LEU 92 -14.364 -0.784 2.881 794 3HD2 LEU 92 3HD2 LEU 92 -13.349 -2.171 2.484 795 H GLU 93 H GLU 93 -17.439 0.372 -0.680 796 HA GLU 93 HA GLU 93 -17.324 2.894 -1.868 797 1HB GLU 93 2HB GLU 93 -19.267 2.201 -3.026 798 2HB GLU 93 1HB GLU 93 -18.511 0.686 -2.537 799 1HG GLU 93 2HG GLU 93 -20.740 0.361 -1.901 800 2HG GLU 93 1HG GLU 93 -20.002 0.925 -0.401 801 H GLY 94 H GLY 94 -18.882 1.986 1.112 802 1HA GLY 94 2HA GLY 94 -20.366 4.563 1.205 803 2HA GLY 94 1HA GLY 94 -20.604 3.208 2.310 804 H LEU 95 H LEU 95 -17.579 2.947 2.519 805 HA LEU 95 HA LEU 95 -17.061 4.137 4.954 806 1HB LEU 95 2HB LEU 95 -15.590 3.052 2.715 807 2HB LEU 95 1HB LEU 95 -14.692 4.393 3.426 808 HG LEU 95 HG LEU 95 -14.691 3.373 5.587 809 1HD1 LEU 95 1HD1 LEU 95 -15.974 0.878 5.215 810 2HD1 LEU 95 2HD1 LEU 95 -17.073 2.097 4.571 811 3HD1 LEU 95 3HD1 LEU 95 -16.508 2.212 6.237 812 1HD2 LEU 95 1HD2 LEU 95 -14.274 0.806 4.308 813 2HD2 LEU 95 2HD2 LEU 95 -13.080 1.909 4.994 814 3HD2 LEU 95 3HD2 LEU 95 -13.599 2.100 3.318 815 H ILE 96 H ILE 96 -17.099 5.720 1.805 816 HA ILE 96 HA ILE 96 -15.750 8.140 2.462 817 HB ILE 96 HB ILE 96 -18.107 7.664 0.609 818 1HG1 ILE 96 2HG1 ILE 96 -15.652 7.672 -0.792 819 2HG1 ILE 96 1HG1 ILE 96 -15.409 6.622 0.605 820 1HG2 ILE 96 1HG2 ILE 96 -15.846 9.677 0.439 821 2HG2 ILE 96 2HG2 ILE 96 -17.463 10.055 1.034 822 3HG2 ILE 96 3HG2 ILE 96 -17.234 9.554 -0.642 823 1HD1 ILE 96 1HD1 ILE 96 -17.162 5.179 -0.019 824 2HD1 ILE 96 2HD1 ILE 96 -16.399 5.573 -1.559 825 3HD1 ILE 96 3HD1 ILE 96 -17.893 6.379 -1.084 Start of MODEL 8 1 1H MET 1 1HT MET 1 -6.823 -19.677 7.947 2 2H MET 1 2HT MET 1 -5.581 -18.519 8.016 3 3H MET 1 3HT MET 1 -5.400 -19.906 7.052 4 HA MET 1 HA MET 1 -6.783 -19.133 5.401 5 1HB MET 1 2HB MET 1 -8.478 -17.312 6.046 6 2HB MET 1 1HB MET 1 -8.721 -18.895 6.788 7 1HG MET 1 2HG MET 1 -7.362 -18.051 8.764 8 2HG MET 1 1HG MET 1 -7.461 -16.445 8.041 9 1HE MET 1 1HE MET 1 -8.727 -15.026 9.391 10 2HE MET 1 2HE MET 1 -10.489 -15.025 9.351 11 3HE MET 1 3HE MET 1 -9.580 -15.008 7.842 12 H LYS 2 H LYS 2 -5.021 -18.167 4.324 13 HA LYS 2 HA LYS 2 -3.999 -15.565 5.323 14 1HB LYS 2 2HB LYS 2 -2.971 -16.543 2.757 15 2HB LYS 2 1HB LYS 2 -2.095 -16.120 4.205 16 1HG LYS 2 2HG LYS 2 -1.646 -18.371 4.206 17 2HG LYS 2 1HG LYS 2 -3.185 -18.426 5.064 18 1HD LYS 2 2HD LYS 2 -3.482 -20.026 3.369 19 2HD LYS 2 1HD LYS 2 -4.231 -18.586 2.676 20 1HE LYS 2 2HE LYS 2 -1.699 -18.191 1.823 21 2HE LYS 2 1HE LYS 2 -1.714 -19.966 1.885 22 1HZ LYS 2 1HZ LYS 2 -2.684 -19.626 -0.144 23 2HZ LYS 2 2HZ LYS 2 -3.392 -18.148 0.306 24 3HZ LYS 2 3HZ LYS 2 -4.069 -19.613 0.835 25 H THR 3 H THR 3 -5.980 -14.357 4.858 26 HA THR 3 HA THR 3 -6.171 -13.654 1.963 27 HB THR 3 HB THR 3 -8.721 -13.469 2.608 28 HG1 THR 3 1HG THR 3 -8.025 -15.604 4.278 29 1HG2 THR 3 1HG2 THR 3 -8.766 -16.099 2.211 30 2HG2 THR 3 2HG2 THR 3 -7.056 -15.835 1.873 31 3HG2 THR 3 3HG2 THR 3 -8.283 -14.988 0.931 32 H ALA 4 H ALA 4 -8.327 -12.465 4.475 33 HA ALA 4 HA ALA 4 -7.543 -9.712 3.916 34 1HB ALA 4 1HB ALA 4 -9.153 -9.694 6.149 35 2HB ALA 4 2HB ALA 4 -9.576 -11.235 5.400 36 3HB ALA 4 3HB ALA 4 -9.737 -9.735 4.485 37 H TYR 5 H TYR 5 -6.658 -12.134 6.225 38 HA TYR 5 HA TYR 5 -5.688 -10.742 8.466 39 1HB TYR 5 2HB TYR 5 -4.388 -12.747 8.756 40 2HB TYR 5 1HB TYR 5 -5.810 -13.252 7.837 41 HD1 TYR 5 1HD TYR 5 -5.227 -12.252 5.149 42 HD2 TYR 5 2HD TYR 5 -2.587 -14.103 7.964 43 HE1 TYR 5 1HE TYR 5 -3.802 -12.926 3.300 44 HE2 TYR 5 2HE TYR 5 -1.112 -14.797 6.087 45 HH TYR 5 HH TYR 5 -2.085 -14.610 2.816 46 H ASP 6 H ASP 6 -2.826 -11.702 8.019 47 HA ASP 6 HA ASP 6 -1.228 -9.564 7.785 48 1HB ASP 6 2HB ASP 6 -0.587 -11.978 7.881 49 2HB ASP 6 1HB ASP 6 -0.916 -12.111 6.150 50 H VAL 7 H VAL 7 -2.294 -11.269 4.809 51 HA VAL 7 HA VAL 7 -1.226 -9.491 2.918 52 HB VAL 7 HB VAL 7 -3.772 -11.131 2.887 53 1HG1 VAL 7 1HG1 VAL 7 -3.969 -10.781 0.636 54 2HG1 VAL 7 2HG1 VAL 7 -2.237 -10.533 0.422 55 3HG1 VAL 7 3HG1 VAL 7 -3.238 -9.235 1.072 56 1HG2 VAL 7 1HG2 VAL 7 -2.488 -12.882 2.019 57 2HG2 VAL 7 2HG2 VAL 7 -1.451 -12.213 3.289 58 3HG2 VAL 7 3HG2 VAL 7 -1.147 -11.815 1.598 59 H ILE 8 H ILE 8 -4.638 -9.437 2.547 60 HA ILE 8 HA ILE 8 -4.621 -6.504 2.596 61 HB ILE 8 HB ILE 8 -6.952 -8.362 2.112 62 1HG1 ILE 8 2HG1 ILE 8 -4.604 -7.735 0.300 63 2HG1 ILE 8 1HG1 ILE 8 -5.191 -9.323 0.791 64 1HG2 ILE 8 1HG2 ILE 8 -7.782 -6.587 0.791 65 2HG2 ILE 8 2HG2 ILE 8 -6.183 -5.864 0.603 66 3HG2 ILE 8 3HG2 ILE 8 -7.032 -5.746 2.147 67 1HD1 ILE 8 1HD1 ILE 8 -5.880 -8.667 -1.530 68 2HD1 ILE 8 2HD1 ILE 8 -6.820 -7.353 -0.830 69 3HD1 ILE 8 3HD1 ILE 8 -7.237 -9.027 -0.465 70 H LEU 9 H LEU 9 -4.444 -6.034 4.881 71 HA LEU 9 HA LEU 9 -6.282 -7.134 6.840 72 1HB LEU 9 2HB LEU 9 -4.186 -5.017 6.643 73 2HB LEU 9 1HB LEU 9 -5.315 -4.911 7.994 74 HG LEU 9 HG LEU 9 -4.366 -7.637 7.592 75 1HD1 LEU 9 1HD1 LEU 9 -2.412 -5.925 6.905 76 2HD1 LEU 9 2HD1 LEU 9 -2.087 -7.405 7.808 77 3HD1 LEU 9 3HD1 LEU 9 -2.219 -5.865 8.657 78 1HD2 LEU 9 1HD2 LEU 9 -4.734 -7.626 9.820 79 2HD2 LEU 9 2HD2 LEU 9 -5.270 -5.954 9.650 80 3HD2 LEU 9 3HD2 LEU 9 -3.590 -6.304 10.056 81 H ALA 10 H ALA 10 -6.074 -3.666 6.796 82 HA ALA 10 HA ALA 10 -9.020 -3.534 6.285 83 1HB ALA 10 1HB ALA 10 -8.223 -1.143 7.414 84 2HB ALA 10 2HB ALA 10 -7.091 -2.291 8.130 85 3HB ALA 10 3HB ALA 10 -8.828 -2.530 8.320 86 HA PRO 11 HA PRO 11 -8.344 -1.066 2.715 87 1HB PRO 11 2HB PRO 11 -10.444 0.683 2.848 88 2HB PRO 11 1HB PRO 11 -10.643 -1.032 2.439 89 1HG PRO 11 2HG PRO 11 -11.144 0.370 5.011 90 2HG PRO 11 1HG PRO 11 -12.039 -0.956 4.253 91 1HD PRO 11 2HD PRO 11 -10.269 -1.285 6.319 92 2HD PRO 11 1HD PRO 11 -10.675 -2.554 5.143 93 H VAL 12 H VAL 12 -7.835 1.200 2.011 94 HA VAL 12 HA VAL 12 -6.851 2.854 4.313 95 HB VAL 12 HB VAL 12 -4.996 3.416 2.939 96 1HG1 VAL 12 1HG1 VAL 12 -5.641 0.736 3.416 97 2HG1 VAL 12 2HG1 VAL 12 -4.047 1.371 3.005 98 3HG1 VAL 12 3HG1 VAL 12 -5.110 0.768 1.734 99 1HG2 VAL 12 1HG2 VAL 12 -4.925 2.999 0.528 100 2HG2 VAL 12 2HG2 VAL 12 -6.365 3.942 0.919 101 3HG2 VAL 12 3HG2 VAL 12 -6.503 2.213 0.593 102 H LEU 13 H LEU 13 -7.457 5.020 4.359 103 HA LEU 13 HA LEU 13 -9.385 5.907 2.258 104 1HB LEU 13 2HB LEU 13 -8.771 6.753 5.102 105 2HB LEU 13 1HB LEU 13 -9.892 7.629 4.062 106 HG LEU 13 HG LEU 13 -11.213 6.096 5.355 107 1HD1 LEU 13 1HD1 LEU 13 -11.436 6.223 2.733 108 2HD1 LEU 13 2HD1 LEU 13 -12.353 5.014 3.632 109 3HD1 LEU 13 3HD1 LEU 13 -10.866 4.555 2.801 110 1HD2 LEU 13 1HD2 LEU 13 -10.569 3.970 5.926 111 2HD2 LEU 13 2HD2 LEU 13 -8.961 4.607 5.580 112 3HD2 LEU 13 3HD2 LEU 13 -9.820 3.666 4.359 113 H SER 14 H SER 14 -8.341 7.046 0.654 114 HA SER 14 HA SER 14 -6.561 9.289 1.481 115 1HB SER 14 2HB SER 14 -5.900 7.002 -0.391 116 2HB SER 14 1HB SER 14 -4.970 8.498 -0.347 117 HG SER 14 HG SER 14 -4.629 8.089 1.895 118 H GLU 15 H GLU 15 -6.816 11.077 0.137 119 HA GLU 15 HA GLU 15 -9.027 11.541 -1.448 120 1HB GLU 15 2HB GLU 15 -6.901 12.960 -0.700 121 2HB GLU 15 1HB GLU 15 -6.376 12.610 -2.349 122 1HG GLU 15 2HG GLU 15 -9.139 13.682 -1.780 123 2HG GLU 15 1HG GLU 15 -7.758 14.763 -1.976 124 H LYS 16 H LYS 16 -5.833 10.640 -2.820 125 HA LYS 16 HA LYS 16 -6.649 10.232 -5.473 126 1HB LYS 16 2HB LYS 16 -4.387 9.827 -3.813 127 2HB LYS 16 1HB LYS 16 -4.664 8.305 -4.660 128 1HG LYS 16 2HG LYS 16 -5.013 9.969 -6.729 129 2HG LYS 16 1HG LYS 16 -3.943 10.982 -5.760 130 1HD LYS 16 2HD LYS 16 -2.980 8.256 -5.779 131 2HD LYS 16 1HD LYS 16 -3.197 8.835 -7.431 132 1HE LYS 16 2HE LYS 16 -1.566 10.459 -7.221 133 2HE LYS 16 1HE LYS 16 -1.884 10.696 -5.491 134 1HZ LYS 16 1HZ LYS 16 -0.946 8.065 -6.362 135 2HZ LYS 16 2HZ LYS 16 -0.649 8.893 -4.908 136 3HZ LYS 16 3HZ LYS 16 0.193 9.321 -6.320 137 H ALA 17 H ALA 17 -6.632 7.920 -2.754 138 HA ALA 17 HA ALA 17 -7.421 5.591 -4.175 139 1HB ALA 17 1HB ALA 17 -6.747 5.236 -1.977 140 2HB ALA 17 2HB ALA 17 -8.498 5.167 -1.777 141 3HB ALA 17 3HB ALA 17 -7.623 6.645 -1.376 142 H TYR 18 H TYR 18 -9.593 7.570 -2.126 143 HA TYR 18 HA TYR 18 -12.051 6.569 -2.914 144 1HB TYR 18 2HB TYR 18 -10.972 9.195 -2.020 145 2HB TYR 18 1HB TYR 18 -12.616 9.200 -2.663 146 HD1 TYR 18 1HD TYR 18 -13.620 6.570 -1.891 147 HD2 TYR 18 2HD TYR 18 -11.198 9.333 0.325 148 HE1 TYR 18 1HE TYR 18 -14.461 5.599 0.235 149 HE2 TYR 18 2HE TYR 18 -12.037 8.370 2.451 150 HH TYR 18 HH TYR 18 -14.299 7.055 3.104 151 H ALA 19 H ALA 19 -9.955 8.733 -4.761 152 HA ALA 19 HA ALA 19 -12.015 9.123 -6.846 153 1HB ALA 19 1HB ALA 19 -10.722 10.929 -7.389 154 2HB ALA 19 2HB ALA 19 -9.226 10.001 -7.288 155 3HB ALA 19 3HB ALA 19 -9.970 10.636 -5.821 156 H GLY 20 H GLY 20 -9.638 6.837 -6.095 157 1HA GLY 20 2HA GLY 20 -9.343 6.018 -8.960 158 2HA GLY 20 1HA GLY 20 -8.187 5.609 -7.691 159 H PHE 21 H PHE 21 -10.267 5.057 -5.733 160 HA PHE 21 HA PHE 21 -10.763 2.271 -6.394 161 1HB PHE 21 2HB PHE 21 -10.995 2.173 -4.112 162 2HB PHE 21 1HB PHE 21 -10.406 3.826 -4.141 163 HD1 PHE 21 1HD PHE 21 -12.493 5.499 -4.985 164 HD2 PHE 21 2HD PHE 21 -12.804 1.890 -2.683 165 HE1 PHE 21 1HE PHE 21 -14.649 6.285 -4.048 166 HE2 PHE 21 2HE PHE 21 -14.961 2.674 -1.745 167 HZ PHE 21 HZ PHE 21 -15.886 4.872 -2.428 168 H ALA 22 H ALA 22 -12.398 5.245 -6.830 169 HA ALA 22 HA ALA 22 -15.111 4.573 -6.685 170 1HB ALA 22 1HB ALA 22 -14.242 6.315 -8.907 171 2HB ALA 22 2HB ALA 22 -13.577 6.727 -7.325 172 3HB ALA 22 3HB ALA 22 -15.325 6.670 -7.560 173 H GLU 23 H GLU 23 -12.719 3.615 -9.013 174 HA GLU 23 HA GLU 23 -14.688 2.853 -11.078 175 1HB GLU 23 2HB GLU 23 -12.075 3.686 -11.050 176 2HB GLU 23 1HB GLU 23 -11.883 1.944 -11.242 177 1HG GLU 23 2HG GLU 23 -13.278 1.930 -13.208 178 2HG GLU 23 1HG GLU 23 -13.748 3.610 -12.951 179 H GLY 24 H GLY 24 -14.298 1.513 -8.242 180 1HA GLY 24 2HA GLY 24 -15.024 -0.694 -7.659 181 2HA GLY 24 1HA GLY 24 -14.554 -1.224 -9.269 182 H LYS 25 H LYS 25 -12.117 0.716 -8.268 183 HA LYS 25 HA LYS 25 -10.322 -1.534 -7.703 184 1HB LYS 25 2HB LYS 25 -10.211 1.423 -8.201 185 2HB LYS 25 1HB LYS 25 -8.815 0.676 -7.430 186 1HG LYS 25 2HG LYS 25 -9.572 -1.021 -9.576 187 2HG LYS 25 1HG LYS 25 -9.575 0.625 -10.203 188 1HD LYS 25 2HD LYS 25 -7.288 0.759 -8.834 189 2HD LYS 25 1HD LYS 25 -7.306 -0.982 -9.117 190 1HE LYS 25 2HE LYS 25 -6.237 -0.267 -11.063 191 2HE LYS 25 1HE LYS 25 -7.925 -0.188 -11.605 192 1HZ LYS 25 1HZ LYS 25 -6.417 2.044 -10.348 193 2HZ LYS 25 2HZ LYS 25 -8.027 2.108 -10.886 194 3HZ LYS 25 3HZ LYS 25 -6.762 1.912 -12.003 195 H TYR 26 H TYR 26 -9.564 -2.070 -5.590 196 HA TYR 26 HA TYR 26 -10.410 -0.193 -3.416 197 1HB TYR 26 2HB TYR 26 -10.529 -3.222 -3.472 198 2HB TYR 26 1HB TYR 26 -10.990 -2.210 -2.100 199 HD1 TYR 26 1HD TYR 26 -12.409 0.015 -3.234 200 HD2 TYR 26 2HD TYR 26 -12.473 -4.108 -4.438 201 HE1 TYR 26 1HE TYR 26 -14.663 0.337 -4.214 202 HE2 TYR 26 2HE TYR 26 -14.729 -3.785 -5.418 203 HH TYR 26 HH TYR 26 -16.699 -1.293 -4.713 204 H THR 27 H THR 27 -8.497 0.654 -2.761 205 HA THR 27 HA THR 27 -5.996 -0.781 -2.625 206 HB THR 27 HB THR 27 -6.739 1.785 -1.220 207 HG1 THR 27 1HG THR 27 -7.437 2.303 -3.160 208 1HG2 THR 27 1HG2 THR 27 -4.222 0.982 -2.697 209 2HG2 THR 27 2HG2 THR 27 -4.453 0.739 -0.965 210 3HG2 THR 27 3HG2 THR 27 -4.442 2.371 -1.633 211 H PHE 28 H PHE 28 -5.094 -1.729 -0.812 212 HA PHE 28 HA PHE 28 -6.664 -1.633 1.737 213 1HB PHE 28 2HB PHE 28 -5.370 -4.028 0.399 214 2HB PHE 28 1HB PHE 28 -6.289 -4.051 1.898 215 HD1 PHE 28 1HD PHE 28 -6.662 -5.284 -1.109 216 HD2 PHE 28 2HD PHE 28 -8.527 -2.223 1.258 217 HE1 PHE 28 1HE PHE 28 -8.766 -5.570 -2.394 218 HE2 PHE 28 2HE PHE 28 -10.629 -2.508 -0.027 219 HZ PHE 28 HZ PHE 28 -10.748 -4.183 -1.853 220 H TRP 29 H TRP 29 -5.266 -2.389 3.607 221 HA TRP 29 HA TRP 29 -2.463 -1.432 3.263 222 1HB TRP 29 2HB TRP 29 -4.475 -1.667 5.480 223 2HB TRP 29 1HB TRP 29 -2.768 -1.782 5.912 224 HD1 TRP 29 HD TRP 29 -5.324 0.703 5.706 225 HE1 TRP 29 1HE TRP 29 -4.372 3.065 5.307 226 HE3 TRP 29 3HE TRP 29 -0.585 -0.492 4.211 227 HZ2 TRP 29 2HZ TRP 29 -1.927 4.287 4.466 228 HZ3 TRP 29 3HZ TRP 29 1.032 1.290 3.618 229 HH2 TRP 29 HH TRP 29 0.368 3.675 3.745 230 H VAL 30 H VAL 30 -0.970 -3.104 3.016 231 HA VAL 30 HA VAL 30 -1.655 -5.687 4.320 232 HB VAL 30 HB VAL 30 -2.572 -5.849 2.167 233 1HG1 VAL 30 1HG1 VAL 30 -0.029 -4.520 1.195 234 2HG1 VAL 30 2HG1 VAL 30 -1.659 -3.849 1.154 235 3HG1 VAL 30 3HG1 VAL 30 -1.242 -5.215 0.119 236 1HG2 VAL 30 1HG2 VAL 30 0.149 -6.904 1.565 237 2HG2 VAL 30 2HG2 VAL 30 -1.430 -7.625 1.249 238 3HG2 VAL 30 3HG2 VAL 30 -0.785 -7.598 2.886 239 H HIS 31 H HIS 31 0.092 -7.175 4.431 240 HA HIS 31 HA HIS 31 2.576 -6.104 5.318 241 1HB HIS 31 2HB HIS 31 1.200 -8.440 5.478 242 2HB HIS 31 1HB HIS 31 2.432 -8.894 4.300 243 HD1 HIS 31 1HD HIS 31 4.094 -10.188 5.674 244 HD2 HIS 31 2HD HIS 31 2.999 -6.613 7.517 245 HE1 HIS 31 1HE HIS 31 5.583 -9.946 7.709 246 HA PRO 32 HA PRO 32 4.815 -5.640 1.547 247 1HB PRO 32 2HB PRO 32 7.359 -5.973 2.490 248 2HB PRO 32 1HB PRO 32 6.400 -4.516 2.796 249 1HG PRO 32 2HG PRO 32 6.927 -6.831 4.582 250 2HG PRO 32 1HG PRO 32 6.838 -5.105 4.969 251 1HD PRO 32 2HD PRO 32 4.813 -6.864 5.456 252 2HD PRO 32 1HD PRO 32 4.559 -5.131 5.159 253 H LYS 33 H LYS 33 3.746 -7.908 1.110 254 HA LYS 33 HA LYS 33 5.723 -9.677 0.013 255 1HB LYS 33 2HB LYS 33 5.168 -11.549 1.734 256 2HB LYS 33 1HB LYS 33 6.289 -10.283 2.232 257 1HG LYS 33 2HG LYS 33 4.923 -9.745 3.934 258 2HG LYS 33 1HG LYS 33 3.640 -9.366 2.792 259 1HD LYS 33 2HD LYS 33 2.762 -11.068 4.226 260 2HD LYS 33 1HD LYS 33 3.154 -11.869 2.704 261 1HE LYS 33 2HE LYS 33 5.381 -12.523 3.700 262 2HE LYS 33 1HE LYS 33 4.801 -11.893 5.254 263 1HZ LYS 33 1HZ LYS 33 2.718 -13.308 4.677 264 2HZ LYS 33 2HZ LYS 33 4.082 -14.061 5.355 265 3HZ LYS 33 3HZ LYS 33 3.792 -14.168 3.684 266 H ALA 34 H ALA 34 2.457 -9.317 1.351 267 HA ALA 34 HA ALA 34 1.047 -11.447 0.295 268 1HB ALA 34 1HB ALA 34 0.572 -8.595 0.876 269 2HB ALA 34 2HB ALA 34 -0.387 -10.006 1.323 270 3HB ALA 34 3HB ALA 34 -0.570 -9.287 -0.276 271 H THR 35 H THR 35 1.987 -12.189 -1.710 272 HA THR 35 HA THR 35 2.751 -10.854 -3.988 273 HB THR 35 HB THR 35 1.296 -12.946 -5.017 274 HG1 THR 35 1HG THR 35 2.064 -13.919 -2.526 275 1HG2 THR 35 1HG2 THR 35 3.849 -13.342 -3.453 276 2HG2 THR 35 2HG2 THR 35 3.809 -12.473 -4.987 277 3HG2 THR 35 3HG2 THR 35 3.335 -14.170 -4.923 278 H LYS 36 H LYS 36 1.757 -9.610 -5.570 279 HA LYS 36 HA LYS 36 -0.650 -8.274 -5.258 280 1HB LYS 36 2HB LYS 36 1.267 -8.802 -7.329 281 2HB LYS 36 1HB LYS 36 -0.349 -8.892 -8.033 282 1HG LYS 36 2HG LYS 36 -0.778 -6.691 -6.677 283 2HG LYS 36 1HG LYS 36 0.982 -6.575 -6.649 284 1HD LYS 36 2HD LYS 36 1.111 -6.523 -9.036 285 2HD LYS 36 1HD LYS 36 -0.577 -7.007 -9.206 286 1HE LYS 36 2HE LYS 36 -1.176 -4.834 -7.967 287 2HE LYS 36 1HE LYS 36 0.506 -4.341 -8.254 288 1HZ LYS 36 1HZ LYS 36 -1.644 -4.812 -10.181 289 2HZ LYS 36 2HZ LYS 36 -0.072 -5.260 -10.643 290 3HZ LYS 36 3HZ LYS 36 -0.406 -3.653 -10.207 291 H THR 37 H THR 37 -0.163 -11.468 -6.772 292 HA THR 37 HA THR 37 -2.916 -11.879 -7.498 293 HB THR 37 HB THR 37 -0.472 -13.524 -7.114 294 HG1 THR 37 1HG THR 37 -2.155 -13.412 -9.348 295 1HG2 THR 37 1HG2 THR 37 -3.262 -14.570 -7.586 296 2HG2 THR 37 2HG2 THR 37 -2.149 -15.034 -6.300 297 3HG2 THR 37 3HG2 THR 37 -1.812 -15.499 -7.967 298 H GLU 38 H GLU 38 -0.974 -12.701 -4.632 299 HA GLU 38 HA GLU 38 -2.875 -14.249 -3.208 300 1HB GLU 38 2HB GLU 38 -0.470 -12.623 -2.688 301 2HB GLU 38 1HB GLU 38 -1.549 -12.750 -1.299 302 1HG GLU 38 2HG GLU 38 -1.590 -15.256 -1.695 303 2HG GLU 38 1HG GLU 38 -0.293 -15.016 -2.866 304 H ILE 39 H ILE 39 -2.458 -10.732 -3.478 305 HA ILE 39 HA ILE 39 -4.407 -9.884 -1.589 306 HB ILE 39 HB ILE 39 -3.319 -8.812 -4.207 307 1HG1 ILE 39 2HG1 ILE 39 -2.965 -7.658 -1.448 308 2HG1 ILE 39 1HG1 ILE 39 -1.992 -9.035 -1.969 309 1HG2 ILE 39 1HG2 ILE 39 -4.898 -7.121 -2.279 310 2HG2 ILE 39 2HG2 ILE 39 -5.714 -7.985 -3.582 311 3HG2 ILE 39 3HG2 ILE 39 -4.479 -6.786 -3.958 312 1HD1 ILE 39 1HD1 ILE 39 -0.724 -7.754 -3.340 313 2HD1 ILE 39 2HD1 ILE 39 -1.397 -6.376 -2.468 314 3HD1 ILE 39 3HD1 ILE 39 -2.131 -6.907 -3.982 315 H LYS 40 H LYS 40 -4.666 -11.019 -4.927 316 HA LYS 40 HA LYS 40 -7.361 -10.345 -5.506 317 1HB LYS 40 2HB LYS 40 -5.555 -11.299 -7.011 318 2HB LYS 40 1HB LYS 40 -5.841 -12.863 -6.252 319 1HG LYS 40 2HG LYS 40 -8.355 -12.371 -6.868 320 2HG LYS 40 1HG LYS 40 -7.634 -11.298 -8.069 321 1HD LYS 40 2HD LYS 40 -6.264 -13.859 -8.001 322 2HD LYS 40 1HD LYS 40 -7.989 -14.068 -8.311 323 1HE LYS 40 2HE LYS 40 -7.904 -12.926 -10.326 324 2HE LYS 40 1HE LYS 40 -6.548 -11.904 -9.808 325 1HZ LYS 40 1HZ LYS 40 -5.292 -14.131 -9.668 326 2HZ LYS 40 2HZ LYS 40 -5.524 -13.428 -11.197 327 3HZ LYS 40 3HZ LYS 40 -6.508 -14.718 -10.694 328 H ASN 41 H ASN 41 -6.009 -13.300 -4.043 329 HA ASN 41 HA ASN 41 -8.583 -14.538 -3.565 330 1HB ASN 41 2HB ASN 41 -5.748 -14.994 -2.612 331 2HB ASN 41 1HB ASN 41 -7.082 -16.060 -2.166 332 1HD2 ASN 41 1HD2 ASN 41 -4.602 -16.068 -4.240 333 2HD2 ASN 41 2HD2 ASN 41 -5.308 -16.811 -5.593 334 H ALA 42 H ALA 42 -6.388 -12.549 -1.561 335 HA ALA 42 HA ALA 42 -7.593 -13.073 0.946 336 1HB ALA 42 1HB ALA 42 -6.722 -10.645 1.396 337 2HB ALA 42 2HB ALA 42 -6.085 -10.759 -0.248 338 3HB ALA 42 3HB ALA 42 -5.541 -11.905 0.989 339 H VAL 43 H VAL 43 -8.384 -10.416 -1.349 340 HA VAL 43 HA VAL 43 -10.571 -9.414 0.231 341 HB VAL 43 HB VAL 43 -11.264 -8.496 -2.101 342 1HG1 VAL 43 1HG1 VAL 43 -8.575 -7.506 -1.826 343 2HG1 VAL 43 2HG1 VAL 43 -9.273 -7.778 -0.228 344 3HG1 VAL 43 3HG1 VAL 43 -10.093 -6.725 -1.380 345 1HG2 VAL 43 1HG2 VAL 43 -8.517 -9.069 -3.025 346 2HG2 VAL 43 2HG2 VAL 43 -10.027 -9.022 -3.936 347 3HG2 VAL 43 3HG2 VAL 43 -9.597 -10.464 -3.016 348 H GLU 44 H GLU 44 -10.347 -11.965 -2.216 349 HA GLU 44 HA GLU 44 -13.135 -12.368 -2.681 350 1HB GLU 44 2HB GLU 44 -10.578 -13.886 -2.910 351 2HB GLU 44 1HB GLU 44 -12.063 -14.840 -2.947 352 1HG GLU 44 2HG GLU 44 -12.351 -12.476 -4.590 353 2HG GLU 44 1HG GLU 44 -10.928 -13.393 -5.084 354 H THR 45 H THR 45 -10.918 -13.759 -0.261 355 HA THR 45 HA THR 45 -13.018 -15.283 1.077 356 HB THR 45 HB THR 45 -10.142 -14.902 1.112 357 HG1 THR 45 1HG THR 45 -11.781 -17.017 2.012 358 1HG2 THR 45 1HG2 THR 45 -11.627 -15.160 3.717 359 2HG2 THR 45 2HG2 THR 45 -10.296 -14.073 3.328 360 3HG2 THR 45 3HG2 THR 45 -9.993 -15.797 3.533 361 H ALA 46 H ALA 46 -11.887 -12.048 1.131 362 HA ALA 46 HA ALA 46 -12.970 -11.565 3.864 363 1HB ALA 46 1HB ALA 46 -10.658 -10.829 3.019 364 2HB ALA 46 2HB ALA 46 -11.642 -9.585 3.793 365 3HB ALA 46 3HB ALA 46 -11.518 -9.645 2.034 366 H PHE 47 H PHE 47 -12.954 -9.642 0.839 367 HA PHE 47 HA PHE 47 -15.491 -8.384 1.471 368 1HB PHE 47 2HB PHE 47 -13.738 -8.518 -0.997 369 2HB PHE 47 1HB PHE 47 -15.146 -7.466 -0.855 370 HD1 PHE 47 1HD PHE 47 -15.095 -6.427 1.810 371 HD2 PHE 47 2HD PHE 47 -11.786 -7.254 -0.799 372 HE1 PHE 47 1HE PHE 47 -13.723 -4.752 3.020 373 HE2 PHE 47 2HE PHE 47 -10.413 -5.580 0.410 374 HZ PHE 47 HZ PHE 47 -11.382 -4.329 2.320 375 H LYS 48 H LYS 48 -14.545 -11.273 -0.221 376 HA LYS 48 HA LYS 48 -15.863 -12.967 -1.207 377 1HB LYS 48 2HB LYS 48 -17.437 -11.591 0.736 378 2HB LYS 48 1HB LYS 48 -18.473 -11.908 -0.655 379 1HG LYS 48 2HG LYS 48 -17.542 -14.304 -0.593 380 2HG LYS 48 1HG LYS 48 -16.930 -13.898 1.012 381 1HD LYS 48 2HD LYS 48 -19.174 -13.371 1.790 382 2HD LYS 48 1HD LYS 48 -19.829 -13.614 0.169 383 1HE LYS 48 2HE LYS 48 -20.221 -15.621 1.556 384 2HE LYS 48 1HE LYS 48 -19.069 -15.999 0.260 385 1HZ LYS 48 1HZ LYS 48 -17.281 -15.903 1.689 386 2HZ LYS 48 2HZ LYS 48 -18.464 -16.592 2.695 387 3HZ LYS 48 3HZ LYS 48 -18.090 -14.939 2.826 388 H VAL 49 H VAL 49 -14.971 -10.935 -2.881 389 HA VAL 49 HA VAL 49 -17.300 -10.529 -4.711 390 HB VAL 49 HB VAL 49 -15.949 -8.630 -3.322 391 1HG1 VAL 49 1HG1 VAL 49 -14.181 -7.663 -4.471 392 2HG1 VAL 49 2HG1 VAL 49 -14.674 -8.353 -6.017 393 3HG1 VAL 49 3HG1 VAL 49 -13.893 -9.370 -4.805 394 1HG2 VAL 49 1HG2 VAL 49 -17.161 -8.498 -6.075 395 2HG2 VAL 49 2HG2 VAL 49 -16.726 -7.063 -5.145 396 3HG2 VAL 49 3HG2 VAL 49 -17.946 -8.178 -4.530 397 H LYS 50 H LYS 50 -15.816 -9.561 -6.871 398 HA LYS 50 HA LYS 50 -14.111 -11.926 -7.590 399 1HB LYS 50 2HB LYS 50 -16.442 -11.496 -8.670 400 2HB LYS 50 1HB LYS 50 -15.632 -10.185 -9.530 401 1HG LYS 50 2HG LYS 50 -14.576 -13.019 -9.501 402 2HG LYS 50 1HG LYS 50 -15.670 -12.419 -10.749 403 1HD LYS 50 2HD LYS 50 -13.946 -10.468 -10.968 404 2HD LYS 50 1HD LYS 50 -12.844 -11.577 -10.152 405 1HE LYS 50 2HE LYS 50 -12.434 -12.255 -12.322 406 2HE LYS 50 1HE LYS 50 -13.876 -13.250 -12.031 407 1HZ LYS 50 1HZ LYS 50 -15.205 -11.846 -13.195 408 2HZ LYS 50 2HZ LYS 50 -13.755 -11.526 -14.022 409 3HZ LYS 50 3HZ LYS 50 -14.298 -10.467 -12.809 410 H VAL 51 H VAL 51 -11.997 -11.257 -7.641 411 HA VAL 51 HA VAL 51 -11.265 -8.456 -8.031 412 HB VAL 51 HB VAL 51 -9.686 -11.041 -7.866 413 1HG1 VAL 51 1HG1 VAL 51 -8.109 -9.609 -8.771 414 2HG1 VAL 51 2HG1 VAL 51 -7.937 -9.189 -7.067 415 3HG1 VAL 51 3HG1 VAL 51 -8.900 -8.167 -8.135 416 1HG2 VAL 51 1HG2 VAL 51 -9.212 -9.750 -5.551 417 2HG2 VAL 51 2HG2 VAL 51 -10.570 -10.859 -5.747 418 3HG2 VAL 51 3HG2 VAL 51 -10.823 -9.119 -5.890 419 H VAL 52 H VAL 52 -11.019 -7.523 -10.014 420 HA VAL 52 HA VAL 52 -10.441 -9.306 -12.354 421 HB VAL 52 HB VAL 52 -12.658 -8.053 -12.178 422 1HG1 VAL 52 1HG1 VAL 52 -11.178 -5.953 -11.360 423 2HG1 VAL 52 2HG1 VAL 52 -12.739 -5.761 -12.159 424 3HG1 VAL 52 3HG1 VAL 52 -11.246 -5.598 -13.084 425 1HG2 VAL 52 1HG2 VAL 52 -11.355 -6.903 -14.549 426 2HG2 VAL 52 2HG2 VAL 52 -12.723 -8.017 -14.445 427 3HG2 VAL 52 3HG2 VAL 52 -11.071 -8.630 -14.332 428 H LYS 53 H LYS 53 -8.813 -7.448 -10.298 429 HA LYS 53 HA LYS 53 -6.524 -7.004 -11.867 430 1HB LYS 53 2HB LYS 53 -8.729 -5.160 -12.357 431 2HB LYS 53 1HB LYS 53 -7.277 -4.303 -11.836 432 1HG LYS 53 2HG LYS 53 -6.308 -6.204 -13.621 433 2HG LYS 53 1HG LYS 53 -7.813 -5.664 -14.364 434 1HD LYS 53 2HD LYS 53 -6.982 -3.604 -14.821 435 2HD LYS 53 1HD LYS 53 -6.206 -3.473 -13.242 436 1HE LYS 53 2HE LYS 53 -4.744 -5.471 -14.558 437 2HE LYS 53 1HE LYS 53 -5.025 -4.228 -15.794 438 1HZ LYS 53 1HZ LYS 53 -3.163 -3.468 -14.623 439 2HZ LYS 53 2HZ LYS 53 -3.809 -3.909 -13.115 440 3HZ LYS 53 3HZ LYS 53 -4.451 -2.584 -13.961 441 H VAL 54 H VAL 54 -5.051 -6.889 -10.219 442 HA VAL 54 HA VAL 54 -5.802 -5.339 -7.767 443 HB VAL 54 HB VAL 54 -4.567 -7.955 -8.314 444 1HG1 VAL 54 1HG1 VAL 54 -3.152 -7.779 -6.175 445 2HG1 VAL 54 2HG1 VAL 54 -3.261 -6.030 -6.377 446 3HG1 VAL 54 3HG1 VAL 54 -2.488 -7.015 -7.619 447 1HG2 VAL 54 1HG2 VAL 54 -5.353 -7.157 -5.580 448 2HG2 VAL 54 2HG2 VAL 54 -5.861 -8.551 -6.537 449 3HG2 VAL 54 3HG2 VAL 54 -6.617 -6.978 -6.798 450 H ASN 55 H ASN 55 -4.653 -3.499 -7.439 451 HA ASN 55 HA ASN 55 -1.929 -3.290 -8.663 452 1HB ASN 55 2HB ASN 55 -4.308 -1.810 -9.158 453 2HB ASN 55 1HB ASN 55 -3.214 -0.739 -8.282 454 1HD2 ASN 55 1HD2 ASN 55 -3.617 0.033 -10.856 455 2HD2 ASN 55 2HD2 ASN 55 -2.300 -0.373 -11.846 456 H THR 56 H THR 56 -0.490 -3.273 -6.991 457 HA THR 56 HA THR 56 -1.299 -1.847 -4.491 458 HB THR 56 HB THR 56 -0.852 -3.813 -3.454 459 HG1 THR 56 1HG THR 56 1.729 -3.777 -4.588 460 1HG2 THR 56 1HG2 THR 56 0.013 -5.795 -4.716 461 2HG2 THR 56 2HG2 THR 56 0.212 -4.756 -6.127 462 3HG2 THR 56 3HG2 THR 56 -1.397 -5.043 -5.462 463 H LEU 57 H LEU 57 0.325 -0.559 -3.477 464 HA LEU 57 HA LEU 57 2.893 -0.190 -4.934 465 1HB LEU 57 2HB LEU 57 2.439 2.210 -5.170 466 2HB LEU 57 1HB LEU 57 1.132 1.293 -5.919 467 HG LEU 57 HG LEU 57 0.168 1.487 -3.399 468 1HD1 LEU 57 1HD1 LEU 57 1.861 3.951 -3.895 469 2HD1 LEU 57 2HD1 LEU 57 1.986 2.831 -2.539 470 3HD1 LEU 57 3HD1 LEU 57 0.573 3.875 -2.693 471 1HD2 LEU 57 1HD2 LEU 57 -0.319 2.669 -5.949 472 2HD2 LEU 57 2HD2 LEU 57 -0.507 3.934 -4.735 473 3HD2 LEU 57 3HD2 LEU 57 -1.459 2.453 -4.621 474 H HIS 58 H HIS 58 4.544 0.592 -3.553 475 HA HIS 58 HA HIS 58 4.141 0.272 -0.702 476 1HB HIS 58 2HB HIS 58 6.240 0.311 -2.548 477 2HB HIS 58 1HB HIS 58 6.538 1.719 -1.528 478 HD1 HIS 58 1HD HIS 58 7.761 -1.453 -1.613 479 HD2 HIS 58 2HD HIS 58 5.672 0.544 1.392 480 HE1 HIS 58 1HE HIS 58 8.301 -2.651 0.553 481 H VAL 59 H VAL 59 3.615 1.823 0.788 482 HA VAL 59 HA VAL 59 3.622 4.688 -0.107 483 HB VAL 59 HB VAL 59 1.808 4.450 1.997 484 1HG1 VAL 59 1HG1 VAL 59 1.469 4.447 -1.006 485 2HG1 VAL 59 2HG1 VAL 59 1.374 5.821 0.095 486 3HG1 VAL 59 3HG1 VAL 59 0.105 4.596 0.101 487 1HG2 VAL 59 1HG2 VAL 59 2.002 1.939 1.732 488 2HG2 VAL 59 2HG2 VAL 59 1.352 2.125 0.103 489 3HG2 VAL 59 3HG2 VAL 59 0.372 2.570 1.499 490 H ARG 60 H ARG 60 4.969 5.968 1.084 491 HA ARG 60 HA ARG 60 5.580 5.154 3.903 492 1HB ARG 60 2HB ARG 60 7.440 6.052 1.681 493 2HB ARG 60 1HB ARG 60 7.934 5.903 3.368 494 1HG ARG 60 2HG ARG 60 8.544 3.829 2.403 495 2HG ARG 60 1HG ARG 60 7.020 3.493 3.228 496 1HD ARG 60 2HD ARG 60 6.039 2.909 1.274 497 2HD ARG 60 1HD ARG 60 6.522 4.447 0.529 498 HE ARG 60 HE ARG 60 8.221 1.992 0.615 499 1HH1 ARG 60 1HH2 ARG 60 6.888 4.107 -1.511 500 2HH1 ARG 60 2HH2 ARG 60 8.360 4.578 -2.294 501 1HH2 ARG 60 1HH1 ARG 60 10.407 3.055 0.054 502 2HH2 ARG 60 2HH1 ARG 60 10.352 3.982 -1.409 503 H GLY 61 H GLY 61 5.413 6.852 5.336 504 1HA GLY 61 2HA GLY 61 4.190 9.275 4.792 505 2HA GLY 61 1HA GLY 61 5.334 9.077 6.121 506 H LYS 62 H LYS 62 5.195 11.518 4.807 507 HA LYS 62 HA LYS 62 7.862 11.590 3.458 508 1HB LYS 62 2HB LYS 62 6.084 11.544 1.755 509 2HB LYS 62 1HB LYS 62 5.284 12.906 2.540 510 1HG LYS 62 2HG LYS 62 7.502 14.173 2.217 511 2HG LYS 62 1HG LYS 62 7.938 12.880 1.100 512 1HD LYS 62 2HD LYS 62 6.930 14.682 -0.176 513 2HD LYS 62 1HD LYS 62 5.805 13.324 -0.149 514 1HE LYS 62 2HE LYS 62 4.229 14.648 0.791 515 2HE LYS 62 1HE LYS 62 5.312 14.969 2.161 516 1HZ LYS 62 1HZ LYS 62 5.252 16.378 -0.451 517 2HZ LYS 62 2HZ LYS 62 6.504 16.562 0.683 518 3HZ LYS 62 3HZ LYS 62 4.920 17.036 1.076 519 H LYS 63 H LYS 63 5.201 13.715 4.598 520 HA LYS 63 HA LYS 63 7.027 15.877 5.291 521 1HB LYS 63 2HB LYS 63 4.108 15.280 5.867 522 2HB LYS 63 1HB LYS 63 4.890 16.812 6.259 523 1HG LYS 63 2HG LYS 63 5.625 16.445 3.629 524 2HG LYS 63 1HG LYS 63 3.989 15.785 3.655 525 1HD LYS 63 2HD LYS 63 3.050 17.826 3.948 526 2HD LYS 63 1HD LYS 63 4.251 18.298 5.152 527 1HE LYS 63 2HE LYS 63 5.372 19.517 3.608 528 2HE LYS 63 1HE LYS 63 5.486 18.110 2.532 529 1HZ LYS 63 1HZ LYS 63 3.439 18.557 1.582 530 2HZ LYS 63 2HZ LYS 63 4.085 20.116 1.772 531 3HZ LYS 63 3HZ LYS 63 2.926 19.535 2.870 532 H LYS 64 H LYS 64 5.492 13.204 7.022 533 HA LYS 64 HA LYS 64 5.663 13.889 9.683 534 1HB LYS 64 2HB LYS 64 4.941 11.714 8.740 535 2HB LYS 64 1HB LYS 64 6.623 11.322 8.379 536 1HG LYS 64 2HG LYS 64 7.176 11.012 10.607 537 2HG LYS 64 1HG LYS 64 5.920 12.111 11.179 538 1HD LYS 64 2HD LYS 64 4.672 10.286 11.626 539 2HD LYS 64 1HD LYS 64 4.515 10.071 9.882 540 1HE LYS 64 2HE LYS 64 5.824 8.221 9.932 541 2HE LYS 64 1HE LYS 64 7.086 9.078 10.841 542 1HZ LYS 64 1HZ LYS 64 5.816 8.801 12.856 543 2HZ LYS 64 2HZ LYS 64 6.068 7.277 12.147 544 3HZ LYS 64 3HZ LYS 64 4.557 8.042 12.009 545 H ARG 65 H ARG 65 8.345 13.407 7.474 546 HA ARG 65 HA ARG 65 10.412 13.138 9.496 547 1HB ARG 65 2HB ARG 65 10.092 13.001 6.679 548 2HB ARG 65 1HB ARG 65 11.325 14.225 6.985 549 1HG ARG 65 2HG ARG 65 12.603 12.662 8.349 550 2HG ARG 65 1HG ARG 65 11.337 11.443 8.191 551 1HD ARG 65 2HD ARG 65 12.739 10.736 6.481 552 2HD ARG 65 1HD ARG 65 11.785 11.924 5.572 553 HE ARG 65 HE ARG 65 13.980 13.208 6.941 554 1HH1 ARG 65 1HH2 ARG 65 14.632 10.608 5.149 555 2HH1 ARG 65 2HH2 ARG 65 15.293 11.424 3.772 556 1HH2 ARG 65 1HH1 ARG 65 14.191 14.558 4.764 557 2HH2 ARG 65 2HH1 ARG 65 15.043 13.660 3.553 558 H LEU 66 H LEU 66 8.679 15.828 8.138 559 HA LEU 66 HA LEU 66 8.926 18.162 8.439 560 1HB LEU 66 2HB LEU 66 8.928 16.925 10.809 561 2HB LEU 66 1HB LEU 66 10.571 17.564 10.867 562 HG LEU 66 HG LEU 66 8.905 19.127 11.867 563 1HD1 LEU 66 1HD1 LEU 66 10.184 20.084 9.288 564 2HD1 LEU 66 2HD1 LEU 66 10.982 19.994 10.859 565 3HD1 LEU 66 3HD1 LEU 66 9.648 21.121 10.610 566 1HD2 LEU 66 1HD2 LEU 66 7.881 19.712 9.112 567 2HD2 LEU 66 2HD2 LEU 66 7.100 19.970 10.672 568 3HD2 LEU 66 3HD2 LEU 66 7.192 18.346 9.989 569 H GLY 67 H GLY 67 10.736 17.288 6.607 570 1HA GLY 67 2HA GLY 67 12.913 17.553 5.745 571 2HA GLY 67 1HA GLY 67 12.710 19.180 6.392 572 H ARG 68 H ARG 68 12.993 16.110 8.131 573 HA ARG 68 HA ARG 68 15.723 16.710 9.023 574 1HB ARG 68 2HB ARG 68 15.174 17.644 11.031 575 2HB ARG 68 1HB ARG 68 13.613 17.943 10.272 576 1HG ARG 68 2HG ARG 68 12.671 15.944 11.234 577 2HG ARG 68 1HG ARG 68 14.250 15.412 11.812 578 1HD ARG 68 2HD ARG 68 12.967 16.413 13.668 579 2HD ARG 68 1HD ARG 68 14.355 17.447 13.273 580 HE ARG 68 HE ARG 68 12.362 18.401 11.615 581 1HH1 ARG 68 1HH2 ARG 68 10.647 17.301 13.951 582 2HH1 ARG 68 2HH2 ARG 68 10.423 18.748 14.876 583 1HH2 ARG 68 1HH1 ARG 68 12.943 20.490 13.254 584 2HH2 ARG 68 2HH1 ARG 68 11.723 20.554 14.482 585 H TYR 69 H TYR 69 16.259 15.007 10.881 586 HA TYR 69 HA TYR 69 15.404 12.369 9.852 587 1HB TYR 69 2HB TYR 69 17.788 13.281 10.502 588 2HB TYR 69 1HB TYR 69 17.293 12.860 12.142 589 HD1 TYR 69 1HD TYR 69 18.316 10.853 12.760 590 HD2 TYR 69 2HD TYR 69 16.657 11.243 8.817 591 HE1 TYR 69 1HE TYR 69 18.833 8.471 12.307 592 HE2 TYR 69 2HE TYR 69 17.174 8.861 8.364 593 HH TYR 69 HH TYR 69 18.827 7.142 9.238 594 H LEU 70 H LEU 70 13.239 12.191 10.685 595 HA LEU 70 HA LEU 70 13.096 11.875 13.662 596 1HB LEU 70 2HB LEU 70 12.021 13.929 12.324 597 2HB LEU 70 1HB LEU 70 10.735 12.750 12.071 598 HG LEU 70 HG LEU 70 11.285 12.427 14.747 599 1HD1 LEU 70 1HD1 LEU 70 12.791 14.420 14.648 600 2HD1 LEU 70 2HD1 LEU 70 11.419 14.656 15.731 601 3HD1 LEU 70 3HD1 LEU 70 11.415 15.393 14.129 602 1HD2 LEU 70 1HD2 LEU 70 9.221 14.016 14.980 603 2HD2 LEU 70 2HD2 LEU 70 9.040 12.523 14.059 604 3HD2 LEU 70 3HD2 LEU 70 9.266 14.056 13.217 605 H GLY 71 H GLY 71 13.594 9.825 11.779 606 1HA GLY 71 2HA GLY 71 12.252 7.634 12.477 607 2HA GLY 71 1HA GLY 71 11.018 8.389 11.466 608 H LYS 72 H LYS 72 11.364 6.319 10.195 609 HA LYS 72 HA LYS 72 13.366 6.836 8.058 610 1HB LYS 72 2HB LYS 72 13.138 4.286 9.691 611 2HB LYS 72 1HB LYS 72 14.172 4.486 8.276 612 1HG LYS 72 2HG LYS 72 15.354 6.343 9.420 613 2HG LYS 72 1HG LYS 72 14.351 6.082 10.849 614 1HD LYS 72 2HD LYS 72 16.564 4.954 11.031 615 2HD LYS 72 1HD LYS 72 15.222 3.812 11.088 616 1HE LYS 72 2HE LYS 72 15.641 3.010 8.918 617 2HE LYS 72 1HE LYS 72 16.543 4.467 8.454 618 1HZ LYS 72 1HZ LYS 72 17.463 2.816 10.715 619 2HZ LYS 72 2HZ LYS 72 18.357 3.864 9.720 620 3HZ LYS 72 3HZ LYS 72 17.850 2.354 9.129 621 H ARG 73 H ARG 73 12.391 6.469 6.101 622 HA ARG 73 HA ARG 73 9.738 5.853 5.634 623 1HB ARG 73 2HB ARG 73 12.230 5.955 4.186 624 2HB ARG 73 1HB ARG 73 11.249 4.628 3.565 625 1HG ARG 73 2HG ARG 73 9.677 6.027 2.701 626 2HG ARG 73 1HG ARG 73 9.756 7.122 4.082 627 1HD ARG 73 2HD ARG 73 11.855 8.089 3.219 628 2HD ARG 73 1HD ARG 73 11.801 6.977 1.836 629 HE ARG 73 HE ARG 73 9.312 8.161 1.777 630 1HH1 ARG 73 1HH1 ARG 73 10.550 10.533 3.112 631 2HH1 ARG 73 2HH1 ARG 73 11.094 11.471 1.761 632 1HH2 ARG 73 1HH2 ARG 73 10.873 8.845 -0.492 633 2HH2 ARG 73 2HH2 ARG 73 11.276 10.516 -0.279 634 HA PRO 74 HA PRO 74 9.858 1.592 7.138 635 1HB PRO 74 2HB PRO 74 7.159 1.375 7.456 636 2HB PRO 74 1HB PRO 74 8.206 2.165 8.652 637 1HG PRO 74 2HG PRO 74 6.457 3.373 6.577 638 2HG PRO 74 1HG PRO 74 6.783 3.912 8.231 639 1HD PRO 74 2HD PRO 74 7.937 5.024 6.012 640 2HD PRO 74 1HD PRO 74 8.680 5.039 7.627 641 H ASP 75 H ASP 75 7.918 -0.182 6.417 642 HA ASP 75 HA ASP 75 7.933 -0.087 3.431 643 1HB ASP 75 2HB ASP 75 8.296 -2.265 5.486 644 2HB ASP 75 1HB ASP 75 7.802 -2.663 3.840 645 H ARG 76 H ARG 76 5.857 0.942 3.390 646 HA ARG 76 HA ARG 76 3.575 -0.655 4.483 647 1HB ARG 76 2HB ARG 76 4.272 2.110 4.389 648 2HB ARG 76 1HB ARG 76 2.828 1.896 3.400 649 1HG ARG 76 2HG ARG 76 2.189 2.327 5.727 650 2HG ARG 76 1HG ARG 76 1.750 0.678 5.277 651 1HD ARG 76 2HD ARG 76 3.634 -0.244 6.448 652 2HD ARG 76 1HD ARG 76 4.355 1.362 6.674 653 HE ARG 76 HE ARG 76 1.958 1.738 7.864 654 1HH1 ARG 76 1HH2 ARG 76 2.068 -1.397 7.914 655 2HH1 ARG 76 2HH2 ARG 76 2.564 -1.641 9.555 656 1HH2 ARG 76 1HH1 ARG 76 3.515 1.659 10.037 657 2HH2 ARG 76 2HH1 ARG 76 3.383 0.090 10.758 658 H LYS 77 H LYS 77 2.787 -2.046 2.933 659 HA LYS 77 HA LYS 77 2.765 -1.127 0.081 660 1HB LYS 77 2HB LYS 77 4.054 -3.152 0.574 661 2HB LYS 77 1HB LYS 77 2.655 -3.872 1.372 662 1HG LYS 77 2HG LYS 77 1.421 -3.543 -0.859 663 2HG LYS 77 1HG LYS 77 3.012 -3.252 -1.562 664 1HD LYS 77 2HD LYS 77 3.746 -5.433 -1.134 665 2HD LYS 77 1HD LYS 77 2.548 -5.691 0.134 666 1HE LYS 77 2HE LYS 77 1.291 -6.747 -1.438 667 2HE LYS 77 1HE LYS 77 1.035 -5.153 -2.175 668 1HZ LYS 77 1HZ LYS 77 3.580 -6.526 -2.656 669 2HZ LYS 77 2HZ LYS 77 2.727 -5.450 -3.657 670 3HZ LYS 77 3HZ LYS 77 2.214 -7.062 -3.508 671 H LYS 78 H LYS 78 0.781 -0.718 -0.823 672 HA LYS 78 HA LYS 78 -1.634 -1.692 0.646 673 1HB LYS 78 2HB LYS 78 -2.698 0.330 -0.467 674 2HB LYS 78 1HB LYS 78 -1.423 0.715 0.688 675 1HG LYS 78 2HG LYS 78 0.123 1.239 -0.995 676 2HG LYS 78 1HG LYS 78 -0.759 0.327 -2.221 677 1HD LYS 78 2HD LYS 78 -0.975 2.844 -2.417 678 2HD LYS 78 1HD LYS 78 -2.508 1.979 -2.304 679 1HE LYS 78 2HE LYS 78 -2.916 2.712 -0.124 680 2HE LYS 78 1HE LYS 78 -1.193 2.972 0.216 681 1HZ LYS 78 1HZ LYS 78 -2.729 4.505 -1.811 682 2HZ LYS 78 2HZ LYS 78 -1.144 4.807 -1.281 683 3HZ LYS 78 3HZ LYS 78 -2.456 5.055 -0.230 684 H ALA 79 H ALA 79 -3.410 -2.522 -0.673 685 HA ALA 79 HA ALA 79 -2.584 -3.246 -3.468 686 1HB ALA 79 1HB ALA 79 -4.577 -4.871 -2.055 687 2HB ALA 79 2HB ALA 79 -2.955 -4.894 -1.352 688 3HB ALA 79 3HB ALA 79 -3.196 -5.377 -3.036 689 H ILE 80 H ILE 80 -3.898 -2.475 -5.023 690 HA ILE 80 HA ILE 80 -6.666 -1.643 -4.296 691 HB ILE 80 HB ILE 80 -5.024 -1.043 -6.764 692 1HG1 ILE 80 2HG1 ILE 80 -5.276 0.509 -4.170 693 2HG1 ILE 80 1HG1 ILE 80 -3.818 -0.287 -4.764 694 1HG2 ILE 80 1HG2 ILE 80 -6.579 0.784 -7.067 695 2HG2 ILE 80 2HG2 ILE 80 -7.329 0.468 -5.502 696 3HG2 ILE 80 3HG2 ILE 80 -7.523 -0.685 -6.822 697 1HD1 ILE 80 1HD1 ILE 80 -3.748 2.106 -5.293 698 2HD1 ILE 80 2HD1 ILE 80 -5.295 1.972 -6.133 699 3HD1 ILE 80 3HD1 ILE 80 -3.865 1.152 -6.774 700 H VAL 81 H VAL 81 -8.073 -3.338 -4.694 701 HA VAL 81 HA VAL 81 -7.545 -5.092 -7.054 702 HB VAL 81 HB VAL 81 -9.324 -5.341 -4.607 703 1HG1 VAL 81 1HG1 VAL 81 -8.860 -7.830 -5.924 704 2HG1 VAL 81 2HG1 VAL 81 -9.440 -6.684 -7.132 705 3HG1 VAL 81 3HG1 VAL 81 -10.397 -6.999 -5.684 706 1HG2 VAL 81 1HG2 VAL 81 -6.542 -5.812 -5.049 707 2HG2 VAL 81 2HG2 VAL 81 -7.329 -7.380 -4.873 708 3HG2 VAL 81 3HG2 VAL 81 -7.486 -6.168 -3.603 709 H GLN 82 H GLN 82 -8.945 -5.040 -8.808 710 HA GLN 82 HA GLN 82 -11.273 -3.177 -8.624 711 1HB GLN 82 2HB GLN 82 -9.683 -2.715 -10.373 712 2HB GLN 82 1HB GLN 82 -9.650 -4.396 -10.878 713 1HG GLN 82 2HG GLN 82 -11.155 -3.684 -12.436 714 2HG GLN 82 1HG GLN 82 -12.306 -3.857 -11.113 715 1HE2 GLN 82 1HE2 GLN 82 -11.356 -1.560 -9.565 716 2HE2 GLN 82 2HE2 GLN 82 -11.792 -0.164 -10.426 717 H VAL 83 H VAL 83 -13.355 -3.975 -9.316 718 HA VAL 83 HA VAL 83 -13.426 -6.947 -9.450 719 HB VAL 83 HB VAL 83 -15.423 -6.918 -8.226 720 1HG1 VAL 83 1HG1 VAL 83 -14.984 -5.582 -6.259 721 2HG1 VAL 83 2HG1 VAL 83 -13.992 -4.455 -7.187 722 3HG1 VAL 83 3HG1 VAL 83 -13.430 -6.103 -6.909 723 1HG2 VAL 83 1HG2 VAL 83 -15.663 -3.966 -8.883 724 2HG2 VAL 83 2HG2 VAL 83 -16.826 -4.913 -7.952 725 3HG2 VAL 83 3HG2 VAL 83 -16.566 -5.271 -9.664 726 H ALA 84 H ALA 84 -15.050 -7.851 -10.856 727 HA ALA 84 HA ALA 84 -15.190 -6.562 -13.426 728 1HB ALA 84 1HB ALA 84 -15.506 -8.749 -13.830 729 2HB ALA 84 2HB ALA 84 -17.141 -8.586 -13.184 730 3HB ALA 84 3HB ALA 84 -15.815 -9.048 -12.118 731 HA PRO 85 HA PRO 85 -19.033 -4.451 -13.282 732 1HB PRO 85 2HB PRO 85 -20.465 -5.446 -15.393 733 2HB PRO 85 1HB PRO 85 -19.060 -4.396 -15.595 734 1HG PRO 85 2HG PRO 85 -19.270 -7.312 -15.892 735 2HG PRO 85 1HG PRO 85 -18.316 -6.157 -16.815 736 1HD PRO 85 2HD PRO 85 -17.275 -7.778 -14.866 737 2HD PRO 85 1HD PRO 85 -16.570 -6.225 -15.339 738 H GLY 86 H GLY 86 -20.980 -4.630 -12.181 739 1HA GLY 86 2HA GLY 86 -23.073 -5.860 -11.725 740 2HA GLY 86 1HA GLY 86 -22.160 -7.359 -11.893 741 H GLN 87 H GLN 87 -19.950 -6.905 -10.311 742 HA GLN 87 HA GLN 87 -21.182 -6.897 -7.609 743 1HB GLN 87 2HB GLN 87 -18.872 -7.776 -7.017 744 2HB GLN 87 1HB GLN 87 -19.768 -8.764 -8.167 745 1HG GLN 87 2HG GLN 87 -18.260 -6.709 -9.547 746 2HG GLN 87 1HG GLN 87 -17.200 -7.680 -8.524 747 1HE2 GLN 87 1HE2 GLN 87 -20.191 -8.952 -9.973 748 2HE2 GLN 87 2HE2 GLN 87 -19.416 -10.038 -11.022 749 H LYS 88 H LYS 88 -19.588 -5.944 -5.869 750 HA LYS 88 HA LYS 88 -17.873 -3.739 -6.503 751 1HB LYS 88 2HB LYS 88 -19.490 -1.910 -5.935 752 2HB LYS 88 1HB LYS 88 -19.942 -2.785 -7.398 753 1HG LYS 88 2HG LYS 88 -21.198 -4.281 -5.483 754 2HG LYS 88 1HG LYS 88 -21.304 -2.666 -4.780 755 1HD LYS 88 2HD LYS 88 -23.177 -2.565 -6.106 756 2HD LYS 88 1HD LYS 88 -21.989 -2.062 -7.310 757 1HE LYS 88 2HE LYS 88 -21.832 -4.322 -8.190 758 2HE LYS 88 1HE LYS 88 -22.866 -4.942 -6.887 759 1HZ LYS 88 1HZ LYS 88 -23.779 -2.707 -8.579 760 2HZ LYS 88 2HZ LYS 88 -24.703 -3.815 -7.683 761 3HZ LYS 88 3HZ LYS 88 -23.951 -4.303 -9.126 762 H ILE 89 H ILE 89 -16.643 -4.412 -4.698 763 HA ILE 89 HA ILE 89 -17.438 -5.318 -2.206 764 HB ILE 89 HB ILE 89 -15.250 -3.320 -2.875 765 1HG1 ILE 89 2HG1 ILE 89 -15.433 -6.341 -2.967 766 2HG1 ILE 89 1HG1 ILE 89 -14.993 -5.243 -4.274 767 1HG2 ILE 89 1HG2 ILE 89 -14.623 -5.223 -0.796 768 2HG2 ILE 89 2HG2 ILE 89 -16.088 -4.336 -0.372 769 3HG2 ILE 89 3HG2 ILE 89 -14.598 -3.460 -0.725 770 1HD1 ILE 89 1HD1 ILE 89 -12.877 -5.903 -3.645 771 2HD1 ILE 89 2HD1 ILE 89 -13.354 -6.208 -1.975 772 3HD1 ILE 89 3HD1 ILE 89 -13.081 -4.555 -2.527 773 H GLU 90 H GLU 90 -19.145 -4.447 -1.075 774 HA GLU 90 HA GLU 90 -19.763 -1.605 -1.042 775 1HB GLU 90 2HB GLU 90 -20.721 -3.903 0.694 776 2HB GLU 90 1HB GLU 90 -21.538 -2.355 0.477 777 1HG GLU 90 2HG GLU 90 -20.884 -4.116 -1.883 778 2HG GLU 90 1HG GLU 90 -22.364 -4.350 -0.951 779 H ALA 91 H ALA 91 -17.589 -3.578 0.747 780 HA ALA 91 HA ALA 91 -17.640 -2.480 3.341 781 1HB ALA 91 1HB ALA 91 -16.284 -4.395 2.603 782 2HB ALA 91 2HB ALA 91 -15.255 -3.182 3.364 783 3HB ALA 91 3HB ALA 91 -15.296 -3.325 1.607 784 H LEU 92 H LEU 92 -16.315 -1.114 0.354 785 HA LEU 92 HA LEU 92 -15.322 1.256 1.895 786 1HB LEU 92 2HB LEU 92 -14.804 0.961 -1.022 787 2HB LEU 92 1HB LEU 92 -13.707 1.456 0.264 788 HG LEU 92 HG LEU 92 -14.595 -1.361 -0.393 789 1HD1 LEU 92 1HD1 LEU 92 -12.634 -1.538 -1.501 790 2HD1 LEU 92 2HD1 LEU 92 -11.742 -0.822 -0.159 791 3HD1 LEU 92 3HD1 LEU 92 -12.496 0.215 -1.370 792 1HD2 LEU 92 1HD2 LEU 92 -13.595 -0.158 2.082 793 2HD2 LEU 92 2HD2 LEU 92 -12.571 -1.478 1.516 794 3HD2 LEU 92 3HD2 LEU 92 -14.285 -1.759 1.818 795 H GLU 93 H GLU 93 -17.687 0.183 -0.422 796 HA GLU 93 HA GLU 93 -18.374 2.508 -1.800 797 1HB GLU 93 2HB GLU 93 -19.951 0.210 -0.645 798 2HB GLU 93 1HB GLU 93 -20.743 1.460 -1.604 799 1HG GLU 93 2HG GLU 93 -18.270 0.082 -2.630 800 2HG GLU 93 1HG GLU 93 -19.861 -0.652 -2.837 801 H GLY 94 H GLY 94 -19.155 1.625 1.547 802 1HA GLY 94 2HA GLY 94 -20.717 4.124 1.877 803 2HA GLY 94 1HA GLY 94 -20.596 2.822 3.062 804 H LEU 95 H LEU 95 -17.591 2.773 2.615 805 HA LEU 95 HA LEU 95 -16.656 4.149 4.818 806 1HB LEU 95 2HB LEU 95 -15.610 3.069 2.325 807 2HB LEU 95 1HB LEU 95 -14.661 4.454 2.867 808 HG LEU 95 HG LEU 95 -14.256 3.442 5.010 809 1HD1 LEU 95 1HD1 LEU 95 -16.082 2.313 5.793 810 2HD1 LEU 95 2HD1 LEU 95 -15.277 0.920 5.071 811 3HD1 LEU 95 3HD1 LEU 95 -16.552 1.758 4.186 812 1HD2 LEU 95 1HD2 LEU 95 -13.629 0.958 3.971 813 2HD2 LEU 95 2HD2 LEU 95 -12.614 2.395 3.842 814 3HD2 LEU 95 3HD2 LEU 95 -13.707 1.966 2.526 815 H ILE 96 H ILE 96 -17.554 5.526 1.711 816 HA ILE 96 HA ILE 96 -16.264 8.011 1.717 817 HB ILE 96 HB ILE 96 -19.093 7.208 0.967 818 1HG1 ILE 96 2HG1 ILE 96 -17.109 6.069 -0.140 819 2HG1 ILE 96 1HG1 ILE 96 -18.187 6.921 -1.246 820 1HG2 ILE 96 1HG2 ILE 96 -17.628 9.793 0.749 821 2HG2 ILE 96 2HG2 ILE 96 -19.360 9.490 0.896 822 3HG2 ILE 96 3HG2 ILE 96 -18.556 9.284 -0.661 823 1HD1 ILE 96 1HD1 ILE 96 -16.667 8.629 -1.633 824 2HD1 ILE 96 2HD1 ILE 96 -15.562 7.278 -1.381 825 3HD1 ILE 96 3HD1 ILE 96 -15.874 8.418 -0.071 Start of MODEL 9 1 1H MET 1 1HT MET 1 -2.076 -12.568 13.161 2 2H MET 1 2HT MET 1 -2.319 -14.177 12.673 3 3H MET 1 3HT MET 1 -3.610 -13.073 12.644 4 HA MET 1 HA MET 1 -1.270 -12.343 11.052 5 1HB MET 1 2HB MET 1 -2.168 -13.911 9.254 6 2HB MET 1 1HB MET 1 -1.376 -14.723 10.612 7 1HG MET 1 2HG MET 1 -4.043 -14.429 11.411 8 2HG MET 1 1HG MET 1 -4.138 -14.882 9.708 9 1HE MET 1 1HE MET 1 -3.963 -17.920 9.207 10 2HE MET 1 2HE MET 1 -2.203 -17.840 9.187 11 3HE MET 1 3HE MET 1 -3.148 -16.458 8.636 12 H LYS 2 H LYS 2 -1.971 -10.810 9.538 13 HA LYS 2 HA LYS 2 -4.362 -9.369 9.751 14 1HB LYS 2 2HB LYS 2 -3.078 -10.093 7.090 15 2HB LYS 2 1HB LYS 2 -3.866 -8.580 7.521 16 1HG LYS 2 2HG LYS 2 -1.173 -9.596 8.444 17 2HG LYS 2 1HG LYS 2 -1.546 -8.090 7.613 18 1HD LYS 2 2HD LYS 2 -1.647 -7.097 9.630 19 2HD LYS 2 1HD LYS 2 -3.112 -8.026 9.939 20 1HE LYS 2 2HE LYS 2 -1.993 -9.624 11.213 21 2HE LYS 2 1HE LYS 2 -0.449 -9.348 10.382 22 1HZ LYS 2 1HZ LYS 2 -0.643 -8.346 12.672 23 2HZ LYS 2 2HZ LYS 2 -1.781 -7.267 12.019 24 3HZ LYS 2 3HZ LYS 2 -0.184 -7.275 11.439 25 H THR 3 H THR 3 -6.167 -10.713 10.088 26 HA THR 3 HA THR 3 -7.479 -12.786 9.586 27 HB THR 3 HB THR 3 -8.049 -10.213 8.153 28 HG1 THR 3 1HG THR 3 -8.851 -9.962 10.066 29 1HG2 THR 3 1HG2 THR 3 -10.350 -11.211 7.640 30 2HG2 THR 3 2HG2 THR 3 -9.594 -12.788 7.879 31 3HG2 THR 3 3HG2 THR 3 -9.016 -11.717 6.601 32 H ALA 4 H ALA 4 -7.054 -11.130 6.483 33 HA ALA 4 HA ALA 4 -7.201 -13.370 4.753 34 1HB ALA 4 1HB ALA 4 -5.524 -11.648 3.535 35 2HB ALA 4 2HB ALA 4 -6.119 -10.610 4.825 36 3HB ALA 4 3HB ALA 4 -7.254 -11.334 3.683 37 H TYR 5 H TYR 5 -5.874 -14.956 6.118 38 HA TYR 5 HA TYR 5 -3.779 -15.801 6.963 39 1HB TYR 5 2HB TYR 5 -2.514 -16.557 4.865 40 2HB TYR 5 1HB TYR 5 -4.201 -17.041 4.982 41 HD1 TYR 5 1HD TYR 5 -5.924 -15.308 3.914 42 HD2 TYR 5 2HD TYR 5 -1.765 -15.602 2.885 43 HE1 TYR 5 1HE TYR 5 -6.384 -14.222 1.738 44 HE2 TYR 5 2HE TYR 5 -2.229 -14.514 0.704 45 HH TYR 5 HH TYR 5 -4.005 -14.081 -0.784 46 H ASP 6 H ASP 6 -3.663 -13.112 7.387 47 HA ASP 6 HA ASP 6 -2.135 -11.417 7.835 48 1HB ASP 6 2HB ASP 6 -0.705 -13.042 8.680 49 2HB ASP 6 1HB ASP 6 -0.376 -13.725 7.091 50 H VAL 7 H VAL 7 -3.469 -11.006 5.540 51 HA VAL 7 HA VAL 7 -1.370 -9.879 3.723 52 HB VAL 7 HB VAL 7 -4.027 -10.947 2.787 53 1HG1 VAL 7 1HG1 VAL 7 -2.364 -9.382 1.502 54 2HG1 VAL 7 2HG1 VAL 7 -3.111 -10.745 0.663 55 3HG1 VAL 7 3HG1 VAL 7 -1.454 -10.875 1.255 56 1HG2 VAL 7 1HG2 VAL 7 -3.370 -13.070 3.004 57 2HG2 VAL 7 2HG2 VAL 7 -1.968 -12.521 3.917 58 3HG2 VAL 7 3HG2 VAL 7 -1.856 -12.727 2.168 59 H ILE 8 H ILE 8 -4.213 -9.216 2.295 60 HA ILE 8 HA ILE 8 -4.316 -6.470 2.918 61 HB ILE 8 HB ILE 8 -6.569 -8.312 2.032 62 1HG1 ILE 8 2HG1 ILE 8 -5.012 -6.952 -0.048 63 2HG1 ILE 8 1HG1 ILE 8 -4.057 -8.123 0.861 64 1HG2 ILE 8 1HG2 ILE 8 -7.605 -6.409 1.211 65 2HG2 ILE 8 2HG2 ILE 8 -6.074 -5.586 0.893 66 3HG2 ILE 8 3HG2 ILE 8 -6.716 -5.660 2.537 67 1HD1 ILE 8 1HD1 ILE 8 -6.589 -9.316 0.404 68 2HD1 ILE 8 2HD1 ILE 8 -5.041 -9.780 -0.301 69 3HD1 ILE 8 3HD1 ILE 8 -6.074 -8.616 -1.130 70 H LEU 9 H LEU 9 -4.888 -5.540 4.851 71 HA LEU 9 HA LEU 9 -6.806 -7.023 6.616 72 1HB LEU 9 2HB LEU 9 -5.688 -5.332 8.325 73 2HB LEU 9 1HB LEU 9 -4.841 -6.798 7.845 74 HG LEU 9 HG LEU 9 -4.438 -4.344 6.189 75 1HD1 LEU 9 1HD1 LEU 9 -3.984 -4.396 9.010 76 2HD1 LEU 9 2HD1 LEU 9 -3.547 -3.132 7.860 77 3HD1 LEU 9 3HD1 LEU 9 -2.418 -4.443 8.201 78 1HD2 LEU 9 1HD2 LEU 9 -3.108 -6.916 6.785 79 2HD2 LEU 9 2HD2 LEU 9 -2.023 -5.538 6.598 80 3HD2 LEU 9 3HD2 LEU 9 -3.126 -5.976 5.294 81 H ALA 10 H ALA 10 -5.943 -3.630 7.002 82 HA ALA 10 HA ALA 10 -8.817 -2.926 6.691 83 1HB ALA 10 1HB ALA 10 -7.207 -0.743 7.549 84 2HB ALA 10 2HB ALA 10 -6.602 -2.182 8.369 85 3HB ALA 10 3HB ALA 10 -8.297 -1.723 8.529 86 HA PRO 11 HA PRO 11 -7.976 -1.022 2.798 87 1HB PRO 11 2HB PRO 11 -10.222 0.531 2.636 88 2HB PRO 11 1HB PRO 11 -10.243 -1.226 2.384 89 1HG PRO 11 2HG PRO 11 -11.031 0.353 4.777 90 2HG PRO 11 1HG PRO 11 -11.762 -1.109 4.097 91 1HD PRO 11 2HD PRO 11 -10.116 -1.100 6.284 92 2HD PRO 11 1HD PRO 11 -10.325 -2.496 5.205 93 H VAL 12 H VAL 12 -8.012 1.362 1.898 94 HA VAL 12 HA VAL 12 -6.989 3.178 4.058 95 HB VAL 12 HB VAL 12 -5.392 3.942 2.492 96 1HG1 VAL 12 1HG1 VAL 12 -4.210 2.026 2.407 97 2HG1 VAL 12 2HG1 VAL 12 -5.309 1.339 1.210 98 3HG1 VAL 12 3HG1 VAL 12 -5.667 1.182 2.930 99 1HG2 VAL 12 1HG2 VAL 12 -5.567 3.557 0.072 100 2HG2 VAL 12 2HG2 VAL 12 -7.027 4.352 0.666 101 3HG2 VAL 12 3HG2 VAL 12 -7.045 2.623 0.313 102 H LEU 13 H LEU 13 -8.033 5.135 4.279 103 HA LEU 13 HA LEU 13 -10.180 5.770 2.304 104 1HB LEU 13 2HB LEU 13 -9.607 6.548 5.173 105 2HB LEU 13 1HB LEU 13 -10.900 7.281 4.225 106 HG LEU 13 HG LEU 13 -11.904 5.475 5.441 107 1HD1 LEU 13 1HD1 LEU 13 -11.385 4.108 2.827 108 2HD1 LEU 13 2HD1 LEU 13 -12.173 5.686 2.808 109 3HD1 LEU 13 3HD1 LEU 13 -12.909 4.343 3.682 110 1HD2 LEU 13 1HD2 LEU 13 -10.951 3.361 5.734 111 2HD2 LEU 13 2HD2 LEU 13 -9.519 4.389 5.715 112 3HD2 LEU 13 3HD2 LEU 13 -9.977 3.487 4.271 113 H SER 14 H SER 14 -9.404 7.129 0.731 114 HA SER 14 HA SER 14 -8.368 9.756 1.486 115 1HB SER 14 2HB SER 14 -6.603 7.651 0.201 116 2HB SER 14 1HB SER 14 -6.188 9.361 0.269 117 HG SER 14 HG SER 14 -6.116 7.437 2.219 118 H GLU 15 H GLU 15 -8.814 11.199 -0.181 119 HA GLU 15 HA GLU 15 -10.551 10.697 -2.269 120 1HB GLU 15 2HB GLU 15 -8.164 12.575 -2.208 121 2HB GLU 15 1HB GLU 15 -9.546 12.737 -3.292 122 1HG GLU 15 2HG GLU 15 -10.842 12.544 -0.924 123 2HG GLU 15 1HG GLU 15 -9.346 13.306 -0.386 124 H LYS 16 H LYS 16 -6.980 10.512 -2.459 125 HA LYS 16 HA LYS 16 -6.704 9.843 -5.170 126 1HB LYS 16 2HB LYS 16 -5.164 9.934 -2.790 127 2HB LYS 16 1HB LYS 16 -4.873 8.353 -3.517 128 1HG LYS 16 2HG LYS 16 -3.707 9.244 -5.238 129 2HG LYS 16 1HG LYS 16 -4.903 10.516 -5.491 130 1HD LYS 16 2HD LYS 16 -2.848 11.590 -4.830 131 2HD LYS 16 1HD LYS 16 -3.954 11.684 -3.459 132 1HE LYS 16 2HE LYS 16 -1.812 10.974 -2.583 133 2HE LYS 16 1HE LYS 16 -2.855 9.537 -2.593 134 1HZ LYS 16 1HZ LYS 16 -1.862 8.714 -4.488 135 2HZ LYS 16 2HZ LYS 16 -0.529 9.410 -3.698 136 3HZ LYS 16 3HZ LYS 16 -1.281 10.228 -4.984 137 H ALA 17 H ALA 17 -8.069 7.984 -2.593 138 HA ALA 17 HA ALA 17 -7.819 5.442 -4.133 139 1HB ALA 17 1HB ALA 17 -9.121 4.957 -1.723 140 2HB ALA 17 2HB ALA 17 -8.027 6.284 -1.333 141 3HB ALA 17 3HB ALA 17 -7.387 4.782 -2.003 142 H TYR 18 H TYR 18 -10.304 7.412 -2.449 143 HA TYR 18 HA TYR 18 -12.581 5.967 -3.353 144 1HB TYR 18 2HB TYR 18 -11.915 8.645 -2.263 145 2HB TYR 18 1HB TYR 18 -13.455 8.539 -3.120 146 HD1 TYR 18 1HD TYR 18 -12.147 8.381 0.042 147 HD2 TYR 18 2HD TYR 18 -14.612 6.053 -2.596 148 HE1 TYR 18 1HE TYR 18 -13.161 7.240 1.997 149 HE2 TYR 18 2HE TYR 18 -15.626 4.910 -0.639 150 HH TYR 18 HH TYR 18 -14.492 4.593 2.093 151 H ALA 19 H ALA 19 -10.889 8.764 -4.804 152 HA ALA 19 HA ALA 19 -12.592 9.026 -7.098 153 1HB ALA 19 1HB ALA 19 -9.679 9.689 -6.548 154 2HB ALA 19 2HB ALA 19 -11.059 10.778 -6.399 155 3HB ALA 19 3HB ALA 19 -10.540 10.225 -7.991 156 H GLY 20 H GLY 20 -10.375 6.629 -6.158 157 1HA GLY 20 2HA GLY 20 -9.912 5.676 -8.934 158 2HA GLY 20 1HA GLY 20 -9.068 5.086 -7.494 159 H PHE 21 H PHE 21 -11.305 4.834 -5.800 160 HA PHE 21 HA PHE 21 -12.258 2.225 -6.248 161 1HB PHE 21 2HB PHE 21 -13.334 4.688 -4.859 162 2HB PHE 21 1HB PHE 21 -14.240 3.181 -4.833 163 HD1 PHE 21 1HD PHE 21 -10.542 3.278 -4.880 164 HD2 PHE 21 2HD PHE 21 -14.053 2.846 -2.443 165 HE1 PHE 21 1HE PHE 21 -9.140 2.485 -3.001 166 HE2 PHE 21 2HE PHE 21 -12.650 2.046 -0.565 167 HZ PHE 21 HZ PHE 21 -10.191 1.865 -0.842 168 H ALA 22 H ALA 22 -13.178 5.279 -7.607 169 HA ALA 22 HA ALA 22 -15.718 5.095 -8.532 170 1HB ALA 22 1HB ALA 22 -15.018 6.585 -10.226 171 2HB ALA 22 2HB ALA 22 -13.457 5.783 -10.399 172 3HB ALA 22 3HB ALA 22 -13.789 6.771 -8.975 173 H GLU 23 H GLU 23 -12.978 3.187 -9.685 174 HA GLU 23 HA GLU 23 -14.714 1.898 -11.738 175 1HB GLU 23 2HB GLU 23 -12.487 2.913 -12.310 176 2HB GLU 23 1HB GLU 23 -11.725 1.717 -11.263 177 1HG GLU 23 2HG GLU 23 -11.587 0.603 -13.285 178 2HG GLU 23 1HG GLU 23 -13.163 0.030 -12.740 179 H GLY 24 H GLY 24 -13.824 1.386 -8.565 180 1HA GLY 24 2HA GLY 24 -14.605 -0.593 -7.396 181 2HA GLY 24 1HA GLY 24 -14.263 -1.512 -8.853 182 H LYS 25 H LYS 25 -11.806 0.706 -8.280 183 HA LYS 25 HA LYS 25 -9.933 -1.432 -7.540 184 1HB LYS 25 2HB LYS 25 -9.715 1.554 -8.053 185 2HB LYS 25 1HB LYS 25 -8.322 0.521 -7.743 186 1HG LYS 25 2HG LYS 25 -9.617 -0.897 -9.696 187 2HG LYS 25 1HG LYS 25 -9.977 0.763 -10.172 188 1HD LYS 25 2HD LYS 25 -7.333 0.980 -9.550 189 2HD LYS 25 1HD LYS 25 -7.392 -0.674 -10.159 190 1HE LYS 25 2HE LYS 25 -8.041 -0.006 -12.297 191 2HE LYS 25 1HE LYS 25 -8.781 1.497 -11.712 192 1HZ LYS 25 1HZ LYS 25 -6.727 2.122 -12.659 193 2HZ LYS 25 2HZ LYS 25 -5.894 0.847 -11.905 194 3HZ LYS 25 3HZ LYS 25 -6.478 2.148 -10.982 195 H TYR 26 H TYR 26 -9.240 -1.825 -5.426 196 HA TYR 26 HA TYR 26 -9.900 0.268 -3.383 197 1HB TYR 26 2HB TYR 26 -10.058 -2.752 -3.162 198 2HB TYR 26 1HB TYR 26 -10.490 -1.605 -1.894 199 HD1 TYR 26 1HD TYR 26 -12.246 0.233 -2.565 200 HD2 TYR 26 2HD TYR 26 -11.708 -3.482 -4.650 201 HE1 TYR 26 1HE TYR 26 -14.522 0.444 -3.525 202 HE2 TYR 26 2HE TYR 26 -13.986 -3.272 -5.610 203 HH TYR 26 HH TYR 26 -16.225 -0.850 -4.513 204 H THR 27 H THR 27 -7.940 1.087 -2.814 205 HA THR 27 HA THR 27 -5.470 -0.426 -2.716 206 HB THR 27 HB THR 27 -6.207 2.272 -1.539 207 HG1 THR 27 1HG THR 27 -5.549 3.069 -3.564 208 1HG2 THR 27 1HG2 THR 27 -4.015 1.313 -0.860 209 2HG2 THR 27 2HG2 THR 27 -3.837 2.770 -1.838 210 3HG2 THR 27 3HG2 THR 27 -3.570 1.184 -2.562 211 H PHE 28 H PHE 28 -4.986 -1.780 -1.007 212 HA PHE 28 HA PHE 28 -6.303 -1.227 1.626 213 1HB PHE 28 2HB PHE 28 -6.039 -3.545 -0.091 214 2HB PHE 28 1HB PHE 28 -5.360 -3.880 1.504 215 HD1 PHE 28 1HD PHE 28 -8.394 -3.169 -0.396 216 HD2 PHE 28 2HD PHE 28 -6.734 -3.595 3.543 217 HE1 PHE 28 1HE PHE 28 -10.683 -3.325 0.549 218 HE2 PHE 28 2HE PHE 28 -9.025 -3.749 4.489 219 HZ PHE 28 HZ PHE 28 -10.997 -3.611 2.992 220 H TRP 29 H TRP 29 -4.987 -1.927 3.524 221 HA TRP 29 HA TRP 29 -2.113 -1.253 3.138 222 1HB TRP 29 2HB TRP 29 -4.100 -1.295 5.416 223 2HB TRP 29 1HB TRP 29 -2.371 -1.273 5.757 224 HD1 TRP 29 HD TRP 29 -5.210 0.945 4.883 225 HE1 TRP 29 1HE TRP 29 -4.371 3.339 4.421 226 HE3 TRP 29 3HE TRP 29 -0.185 0.081 4.608 227 HZ2 TRP 29 2HZ TRP 29 -1.896 4.706 3.992 228 HZ3 TRP 29 3HZ TRP 29 1.390 1.946 4.172 229 HH2 TRP 29 HH TRP 29 0.540 4.255 3.865 230 H VAL 30 H VAL 30 -0.738 -3.042 3.048 231 HA VAL 30 HA VAL 30 -1.485 -5.400 4.667 232 HB VAL 30 HB VAL 30 -2.661 -5.723 2.634 233 1HG1 VAL 30 1HG1 VAL 30 -0.714 -5.703 0.600 234 2HG1 VAL 30 2HG1 VAL 30 -0.442 -4.231 1.534 235 3HG1 VAL 30 3HG1 VAL 30 -2.025 -4.544 0.822 236 1HG2 VAL 30 1HG2 VAL 30 -1.648 -7.678 1.741 237 2HG2 VAL 30 2HG2 VAL 30 -1.287 -7.616 3.465 238 3HG2 VAL 30 3HG2 VAL 30 -0.054 -7.162 2.289 239 H HIS 31 H HIS 31 0.201 -7.040 4.661 240 HA HIS 31 HA HIS 31 2.771 -6.121 5.301 241 1HB HIS 31 2HB HIS 31 1.395 -8.632 4.738 242 2HB HIS 31 1HB HIS 31 3.094 -8.704 4.274 243 HD1 HIS 31 1HD HIS 31 0.964 -7.716 7.276 244 HD2 HIS 31 2HD HIS 31 4.819 -9.050 6.417 245 HE1 HIS 31 1HE HIS 31 2.097 -8.117 9.506 246 HA PRO 32 HA PRO 32 4.500 -5.099 1.365 247 1HB PRO 32 2HB PRO 32 7.126 -5.044 2.120 248 2HB PRO 32 1HB PRO 32 5.969 -3.770 2.540 249 1HG PRO 32 2HG PRO 32 6.979 -6.017 4.204 250 2HG PRO 32 1HG PRO 32 6.661 -4.335 4.656 251 1HD PRO 32 2HD PRO 32 4.962 -6.386 5.228 252 2HD PRO 32 1HD PRO 32 4.425 -4.707 4.986 253 H LYS 33 H LYS 33 3.828 -7.384 0.701 254 HA LYS 33 HA LYS 33 6.032 -8.827 -0.432 255 1HB LYS 33 2HB LYS 33 5.646 -10.861 1.157 256 2HB LYS 33 1HB LYS 33 6.610 -9.513 1.757 257 1HG LYS 33 2HG LYS 33 5.146 -9.188 3.435 258 2HG LYS 33 1HG LYS 33 3.843 -8.950 2.282 259 1HD LYS 33 2HD LYS 33 4.658 -11.764 2.621 260 2HD LYS 33 1HD LYS 33 3.965 -11.028 4.066 261 1HE LYS 33 2HE LYS 33 2.152 -10.130 2.334 262 2HE LYS 33 1HE LYS 33 2.681 -11.549 1.409 263 1HZ LYS 33 1HZ LYS 33 1.568 -11.444 4.146 264 2HZ LYS 33 2HZ LYS 33 2.521 -12.757 3.641 265 3HZ LYS 33 3HZ LYS 33 1.068 -12.399 2.836 266 H ALA 34 H ALA 34 2.718 -8.928 0.803 267 HA ALA 34 HA ALA 34 1.656 -11.162 -0.458 268 1HB ALA 34 1HB ALA 34 -0.432 -10.037 -0.210 269 2HB ALA 34 2HB ALA 34 0.311 -8.453 -0.435 270 3HB ALA 34 3HB ALA 34 0.600 -9.360 1.051 271 H THR 35 H THR 35 2.187 -11.719 -2.570 272 HA THR 35 HA THR 35 2.798 -9.926 -4.691 273 HB THR 35 HB THR 35 1.938 -12.108 -5.988 274 HG1 THR 35 1HG THR 35 2.126 -13.874 -4.503 275 1HG2 THR 35 1HG2 THR 35 4.128 -13.034 -5.697 276 2HG2 THR 35 2HG2 THR 35 4.310 -12.269 -4.119 277 3HG2 THR 35 3HG2 THR 35 4.307 -11.284 -5.582 278 H LYS 36 H LYS 36 1.483 -9.074 -6.377 279 HA LYS 36 HA LYS 36 -1.063 -8.100 -5.839 280 1HB LYS 36 2HB LYS 36 0.516 -8.781 -8.283 281 2HB LYS 36 1HB LYS 36 -1.185 -8.374 -8.511 282 1HG LYS 36 2HG LYS 36 -0.914 -6.219 -7.561 283 2HG LYS 36 1HG LYS 36 0.640 -6.643 -6.843 284 1HD LYS 36 2HD LYS 36 1.787 -6.297 -8.787 285 2HD LYS 36 1HD LYS 36 0.473 -6.913 -9.790 286 1HE LYS 36 2HE LYS 36 -0.707 -4.840 -9.706 287 2HE LYS 36 1HE LYS 36 0.291 -4.239 -8.365 288 1HZ LYS 36 1HZ LYS 36 2.188 -4.831 -10.093 289 2HZ LYS 36 2HZ LYS 36 1.428 -3.311 -10.079 290 3HZ LYS 36 3HZ LYS 36 0.949 -4.493 -11.202 291 H THR 37 H THR 37 -0.205 -11.300 -7.114 292 HA THR 37 HA THR 37 -2.935 -12.103 -7.688 293 HB THR 37 HB THR 37 -0.654 -13.926 -7.124 294 HG1 THR 37 1HG THR 37 0.369 -12.538 -8.402 295 1HG2 THR 37 1HG2 THR 37 -2.228 -15.335 -7.916 296 2HG2 THR 37 2HG2 THR 37 -1.872 -14.633 -9.495 297 3HG2 THR 37 3HG2 THR 37 -3.210 -14.005 -8.531 298 H GLU 38 H GLU 38 -0.631 -12.972 -5.089 299 HA GLU 38 HA GLU 38 -2.345 -14.617 -3.557 300 1HB GLU 38 2HB GLU 38 0.040 -12.878 -3.099 301 2HB GLU 38 1HB GLU 38 -0.815 -13.465 -1.671 302 1HG GLU 38 2HG GLU 38 -0.666 -15.715 -3.289 303 2HG GLU 38 1HG GLU 38 0.893 -14.929 -3.546 304 H ILE 39 H ILE 39 -1.919 -11.077 -3.460 305 HA ILE 39 HA ILE 39 -3.633 -10.486 -1.280 306 HB ILE 39 HB ILE 39 -2.762 -9.105 -3.818 307 1HG1 ILE 39 2HG1 ILE 39 -2.280 -8.512 -0.882 308 2HG1 ILE 39 1HG1 ILE 39 -1.185 -9.438 -1.908 309 1HG2 ILE 39 1HG2 ILE 39 -3.868 -7.076 -3.183 310 2HG2 ILE 39 2HG2 ILE 39 -4.386 -7.764 -1.647 311 3HG2 ILE 39 3HG2 ILE 39 -5.099 -8.337 -3.153 312 1HD1 ILE 39 1HD1 ILE 39 -1.878 -6.982 -3.238 313 2HD1 ILE 39 2HD1 ILE 39 -0.287 -7.546 -2.723 314 3HD1 ILE 39 3HD1 ILE 39 -1.298 -6.621 -1.611 315 H LYS 40 H LYS 40 -4.332 -11.291 -4.634 316 HA LYS 40 HA LYS 40 -7.050 -10.442 -4.789 317 1HB LYS 40 2HB LYS 40 -5.436 -11.215 -6.599 318 2HB LYS 40 1HB LYS 40 -5.769 -12.866 -6.078 319 1HG LYS 40 2HG LYS 40 -8.059 -12.715 -6.679 320 2HG LYS 40 1HG LYS 40 -7.989 -10.959 -6.818 321 1HD LYS 40 2HD LYS 40 -7.701 -11.332 -9.037 322 2HD LYS 40 1HD LYS 40 -6.046 -11.757 -8.600 323 1HE LYS 40 2HE LYS 40 -7.702 -14.043 -8.097 324 2HE LYS 40 1HE LYS 40 -8.029 -13.464 -9.743 325 1HZ LYS 40 1HZ LYS 40 -5.763 -13.515 -10.284 326 2HZ LYS 40 2HZ LYS 40 -6.027 -14.975 -9.456 327 3HZ LYS 40 3HZ LYS 40 -5.279 -13.670 -8.666 328 H ASN 41 H ASN 41 -5.669 -13.607 -3.885 329 HA ASN 41 HA ASN 41 -8.079 -15.033 -3.512 330 1HB ASN 41 2HB ASN 41 -5.277 -15.173 -2.442 331 2HB ASN 41 1HB ASN 41 -6.493 -16.309 -1.856 332 1HD2 ASN 41 1HD2 ASN 41 -4.844 -15.190 -4.832 333 2HD2 ASN 41 2HD2 ASN 41 -5.182 -16.588 -5.733 334 H ALA 42 H ALA 42 -6.387 -12.887 -1.204 335 HA ALA 42 HA ALA 42 -7.996 -13.678 1.070 336 1HB ALA 42 1HB ALA 42 -6.423 -12.436 2.100 337 2HB ALA 42 2HB ALA 42 -6.925 -10.990 1.222 338 3HB ALA 42 3HB ALA 42 -5.741 -12.085 0.511 339 H VAL 43 H VAL 43 -8.141 -10.769 -1.041 340 HA VAL 43 HA VAL 43 -10.468 -9.708 0.285 341 HB VAL 43 HB VAL 43 -8.569 -8.929 -1.620 342 1HG1 VAL 43 1HG1 VAL 43 -11.354 -8.959 -2.810 343 2HG1 VAL 43 2HG1 VAL 43 -9.881 -9.648 -3.499 344 3HG1 VAL 43 3HG1 VAL 43 -10.068 -7.899 -3.387 345 1HG2 VAL 43 1HG2 VAL 43 -9.611 -7.598 0.221 346 2HG2 VAL 43 2HG2 VAL 43 -11.067 -7.444 -0.763 347 3HG2 VAL 43 3HG2 VAL 43 -9.553 -6.726 -1.311 348 H GLU 44 H GLU 44 -10.064 -11.775 -2.592 349 HA GLU 44 HA GLU 44 -12.707 -11.692 -3.595 350 1HB GLU 44 2HB GLU 44 -10.299 -13.199 -3.900 351 2HB GLU 44 1HB GLU 44 -11.635 -14.343 -3.774 352 1HG GLU 44 2HG GLU 44 -12.265 -12.034 -5.467 353 2HG GLU 44 1HG GLU 44 -10.911 -12.987 -6.075 354 H THR 45 H THR 45 -11.322 -13.821 -1.076 355 HA THR 45 HA THR 45 -13.867 -15.176 -0.593 356 HB THR 45 HB THR 45 -12.568 -16.320 1.111 357 HG1 THR 45 1HG THR 45 -11.523 -14.667 2.102 358 1HG2 THR 45 1HG2 THR 45 -10.820 -15.637 -1.268 359 2HG2 THR 45 2HG2 THR 45 -12.055 -16.896 -1.230 360 3HG2 THR 45 3HG2 THR 45 -10.619 -17.038 -0.215 361 H ALA 46 H ALA 46 -11.897 -12.768 1.173 362 HA ALA 46 HA ALA 46 -13.645 -12.453 3.409 363 1HB ALA 46 1HB ALA 46 -12.333 -10.411 3.756 364 2HB ALA 46 2HB ALA 46 -11.793 -10.452 2.077 365 3HB ALA 46 3HB ALA 46 -11.272 -11.706 3.202 366 H PHE 47 H PHE 47 -13.302 -10.333 0.527 367 HA PHE 47 HA PHE 47 -15.788 -8.922 1.188 368 1HB PHE 47 2HB PHE 47 -13.817 -8.824 -1.111 369 2HB PHE 47 1HB PHE 47 -15.176 -7.712 -0.938 370 HD1 PHE 47 1HD PHE 47 -15.076 -5.865 0.560 371 HD2 PHE 47 2HD PHE 47 -12.089 -8.943 0.739 372 HE1 PHE 47 1HE PHE 47 -13.751 -4.489 2.143 373 HE2 PHE 47 2HE PHE 47 -10.764 -7.570 2.318 374 HZ PHE 47 HZ PHE 47 -11.596 -5.345 3.022 375 H LYS 48 H LYS 48 -15.239 -11.883 -0.104 376 HA LYS 48 HA LYS 48 -16.341 -13.256 -1.690 377 1HB LYS 48 2HB LYS 48 -18.704 -13.355 -1.109 378 2HB LYS 48 1HB LYS 48 -17.789 -13.001 0.356 379 1HG LYS 48 2HG LYS 48 -18.408 -10.717 0.330 380 2HG LYS 48 1HG LYS 48 -18.934 -10.793 -1.352 381 1HD LYS 48 2HD LYS 48 -20.744 -12.389 -0.643 382 2HD LYS 48 1HD LYS 48 -20.276 -12.096 1.032 383 1HE LYS 48 2HE LYS 48 -20.630 -9.588 -0.419 384 2HE LYS 48 1HE LYS 48 -22.106 -10.574 -0.433 385 1HZ LYS 48 1HZ LYS 48 -20.552 -10.414 2.048 386 2HZ LYS 48 2HZ LYS 48 -22.225 -10.616 1.833 387 3HZ LYS 48 3HZ LYS 48 -21.518 -9.084 1.630 388 H VAL 49 H VAL 49 -15.367 -10.933 -2.938 389 HA VAL 49 HA VAL 49 -17.591 -10.216 -4.802 390 HB VAL 49 HB VAL 49 -15.960 -8.662 -3.204 391 1HG1 VAL 49 1HG1 VAL 49 -14.133 -9.296 -4.973 392 2HG1 VAL 49 2HG1 VAL 49 -14.266 -7.632 -4.407 393 3HG1 VAL 49 3HG1 VAL 49 -14.955 -8.089 -5.964 394 1HG2 VAL 49 1HG2 VAL 49 -16.717 -6.930 -5.173 395 2HG2 VAL 49 2HG2 VAL 49 -17.761 -7.496 -3.869 396 3HG2 VAL 49 3HG2 VAL 49 -17.809 -8.289 -5.443 397 H LYS 50 H LYS 50 -16.071 -9.240 -6.876 398 HA LYS 50 HA LYS 50 -14.497 -11.642 -7.747 399 1HB LYS 50 2HB LYS 50 -16.826 -10.938 -8.781 400 2HB LYS 50 1HB LYS 50 -15.850 -9.747 -9.646 401 1HG LYS 50 2HG LYS 50 -14.839 -12.552 -9.582 402 2HG LYS 50 1HG LYS 50 -16.235 -12.219 -10.611 403 1HD LYS 50 2HD LYS 50 -14.895 -10.252 -11.545 404 2HD LYS 50 1HD LYS 50 -13.496 -10.944 -10.725 405 1HE LYS 50 2HE LYS 50 -15.173 -12.241 -12.898 406 2HE LYS 50 1HE LYS 50 -13.450 -11.826 -12.965 407 1HZ LYS 50 1HZ LYS 50 -13.551 -14.104 -12.392 408 2HZ LYS 50 2HZ LYS 50 -14.765 -13.843 -11.232 409 3HZ LYS 50 3HZ LYS 50 -13.186 -13.283 -10.954 410 H VAL 51 H VAL 51 -12.390 -10.933 -7.413 411 HA VAL 51 HA VAL 51 -11.570 -8.182 -7.951 412 HB VAL 51 HB VAL 51 -10.080 -10.764 -7.385 413 1HG1 VAL 51 1HG1 VAL 51 -9.190 -7.931 -7.785 414 2HG1 VAL 51 2HG1 VAL 51 -8.392 -9.430 -8.261 415 3HG1 VAL 51 3HG1 VAL 51 -8.361 -8.909 -6.575 416 1HG2 VAL 51 1HG2 VAL 51 -10.806 -10.438 -5.275 417 2HG2 VAL 51 2HG2 VAL 51 -11.632 -8.956 -5.759 418 3HG2 VAL 51 3HG2 VAL 51 -9.944 -8.900 -5.251 419 H VAL 52 H VAL 52 -11.220 -7.459 -10.002 420 HA VAL 52 HA VAL 52 -10.605 -9.431 -12.150 421 HB VAL 52 HB VAL 52 -12.520 -7.929 -12.434 422 1HG1 VAL 52 1HG1 VAL 52 -11.954 -6.087 -11.039 423 2HG1 VAL 52 2HG1 VAL 52 -11.982 -5.442 -12.675 424 3HG1 VAL 52 3HG1 VAL 52 -10.441 -5.801 -11.892 425 1HG2 VAL 52 1HG2 VAL 52 -10.497 -8.311 -14.252 426 2HG2 VAL 52 2HG2 VAL 52 -10.655 -6.554 -14.235 427 3HG2 VAL 52 3HG2 VAL 52 -12.057 -7.564 -14.617 428 H LYS 53 H LYS 53 -8.985 -7.301 -10.098 429 HA LYS 53 HA LYS 53 -6.446 -7.625 -11.352 430 1HB LYS 53 2HB LYS 53 -8.229 -5.571 -12.418 431 2HB LYS 53 1HB LYS 53 -6.685 -4.898 -11.894 432 1HG LYS 53 2HG LYS 53 -5.893 -7.192 -13.181 433 2HG LYS 53 1HG LYS 53 -7.279 -6.691 -14.150 434 1HD LYS 53 2HD LYS 53 -6.234 -4.810 -14.914 435 2HD LYS 53 1HD LYS 53 -5.420 -4.518 -13.377 436 1HE LYS 53 2HE LYS 53 -3.720 -6.149 -13.865 437 2HE LYS 53 1HE LYS 53 -4.619 -6.753 -15.270 438 1HZ LYS 53 1HZ LYS 53 -4.389 -4.666 -16.357 439 2HZ LYS 53 2HZ LYS 53 -2.840 -5.114 -15.824 440 3HZ LYS 53 3HZ LYS 53 -3.726 -3.937 -14.977 441 H VAL 54 H VAL 54 -5.174 -7.439 -9.550 442 HA VAL 54 HA VAL 54 -5.906 -5.364 -7.524 443 HB VAL 54 HB VAL 54 -5.210 -8.162 -7.424 444 1HG1 VAL 54 1HG1 VAL 54 -3.404 -6.330 -5.808 445 2HG1 VAL 54 2HG1 VAL 54 -2.881 -7.426 -7.090 446 3HG1 VAL 54 3HG1 VAL 54 -3.541 -8.075 -5.588 447 1HG2 VAL 54 1HG2 VAL 54 -7.008 -6.880 -6.187 448 2HG2 VAL 54 2HG2 VAL 54 -5.735 -6.231 -5.150 449 3HG2 VAL 54 3HG2 VAL 54 -6.053 -7.966 -5.176 450 H ASN 55 H ASN 55 -4.544 -3.623 -7.424 451 HA ASN 55 HA ASN 55 -1.741 -4.001 -8.394 452 1HB ASN 55 2HB ASN 55 -3.693 -1.705 -8.698 453 2HB ASN 55 1HB ASN 55 -1.976 -1.555 -9.075 454 1HD2 ASN 55 1HD2 ASN 55 -1.200 -2.537 -11.023 455 2HD2 ASN 55 2HD2 ASN 55 -2.224 -3.301 -12.141 456 H THR 56 H THR 56 -0.393 -3.870 -6.679 457 HA THR 56 HA THR 56 -1.176 -2.084 -4.419 458 HB THR 56 HB THR 56 -0.595 -3.839 -3.104 459 HG1 THR 56 1HG THR 56 1.820 -3.907 -4.582 460 1HG2 THR 56 1HG2 THR 56 0.214 -5.291 -5.636 461 2HG2 THR 56 2HG2 THR 56 -1.434 -5.198 -5.016 462 3HG2 THR 56 3HG2 THR 56 -0.187 -6.029 -4.087 463 H LEU 57 H LEU 57 0.516 -0.781 -3.446 464 HA LEU 57 HA LEU 57 2.975 -0.413 -5.105 465 1HB LEU 57 2HB LEU 57 2.522 2.083 -4.842 466 2HB LEU 57 1HB LEU 57 1.392 1.227 -5.892 467 HG LEU 57 HG LEU 57 0.711 1.367 -2.994 468 1HD1 LEU 57 1HD1 LEU 57 1.463 3.704 -4.290 469 2HD1 LEU 57 2HD1 LEU 57 0.405 3.607 -2.883 470 3HD1 LEU 57 3HD1 LEU 57 -0.287 3.669 -4.504 471 1HD2 LEU 57 1HD2 LEU 57 -1.419 1.008 -3.777 472 2HD2 LEU 57 2HD2 LEU 57 -0.544 0.380 -5.174 473 3HD2 LEU 57 3HD2 LEU 57 -1.178 2.026 -5.197 474 H HIS 58 H HIS 58 4.721 0.632 -3.869 475 HA HIS 58 HA HIS 58 4.716 -0.126 -1.050 476 1HB HIS 58 2HB HIS 58 6.567 0.244 -3.084 477 2HB HIS 58 1HB HIS 58 6.869 1.616 -2.016 478 HD1 HIS 58 1HD HIS 58 9.114 -0.248 -1.929 479 HD2 HIS 58 2HD HIS 58 5.714 -0.955 0.380 480 HE1 HIS 58 1HE HIS 58 9.825 -1.807 -0.064 481 H VAL 59 H VAL 59 3.970 1.118 0.554 482 HA VAL 59 HA VAL 59 3.876 4.089 0.159 483 HB VAL 59 HB VAL 59 1.927 3.803 1.825 484 1HG1 VAL 59 1HG1 VAL 59 1.197 4.342 -0.305 485 2HG1 VAL 59 2HG1 VAL 59 0.504 2.728 -0.145 486 3HG1 VAL 59 3HG1 VAL 59 2.006 2.958 -1.041 487 1HG2 VAL 59 1HG2 VAL 59 0.951 1.622 2.031 488 2HG2 VAL 59 2HG2 VAL 59 2.663 1.437 2.409 489 3HG2 VAL 59 3HG2 VAL 59 2.052 0.950 0.827 490 H ARG 60 H ARG 60 4.968 5.272 1.706 491 HA ARG 60 HA ARG 60 5.655 3.933 4.294 492 1HB ARG 60 2HB ARG 60 7.457 5.451 2.382 493 2HB ARG 60 1HB ARG 60 7.938 4.961 4.007 494 1HG ARG 60 2HG ARG 60 8.739 3.203 2.665 495 2HG ARG 60 1HG ARG 60 7.202 2.580 3.265 496 1HD ARG 60 2HD ARG 60 6.405 2.406 1.153 497 2HD ARG 60 1HD ARG 60 6.775 4.114 0.839 498 HE ARG 60 HE ARG 60 8.965 2.084 0.759 499 1HH1 ARG 60 1HH2 ARG 60 6.688 3.633 -1.187 500 2HH1 ARG 60 2HH2 ARG 60 7.829 4.207 -2.357 501 1HH2 ARG 60 1HH1 ARG 60 10.605 3.217 -0.531 502 2HH2 ARG 60 2HH1 ARG 60 10.046 3.971 -1.987 503 H GLY 61 H GLY 61 4.521 5.209 5.737 504 1HA GLY 61 2HA GLY 61 3.864 7.126 6.916 505 2HA GLY 61 1HA GLY 61 5.307 7.899 6.255 506 H LYS 62 H LYS 62 2.448 8.870 6.572 507 HA LYS 62 HA LYS 62 2.291 10.277 4.026 508 1HB LYS 62 2HB LYS 62 1.383 7.822 3.776 509 2HB LYS 62 1HB LYS 62 -0.032 8.457 4.617 510 1HG LYS 62 2HG LYS 62 -0.733 9.107 2.561 511 2HG LYS 62 1HG LYS 62 0.448 10.407 2.730 512 1HD LYS 62 2HD LYS 62 1.920 8.156 1.892 513 2HD LYS 62 1HD LYS 62 0.463 8.166 0.898 514 1HE LYS 62 2HE LYS 62 1.940 10.751 1.322 515 2HE LYS 62 1HE LYS 62 2.552 9.585 0.131 516 1HZ LYS 62 1HZ LYS 62 -0.327 10.101 0.187 517 2HZ LYS 62 2HZ LYS 62 0.681 9.731 -1.131 518 3HZ LYS 62 3HZ LYS 62 0.664 11.303 -0.484 519 H LYS 63 H LYS 63 0.291 9.183 6.795 520 HA LYS 63 HA LYS 63 -0.847 11.942 6.981 521 1HB LYS 63 2HB LYS 63 -1.688 9.165 7.770 522 2HB LYS 63 1HB LYS 63 -2.397 10.549 8.603 523 1HG LYS 63 2HG LYS 63 -2.310 10.871 5.686 524 2HG LYS 63 1HG LYS 63 -3.299 9.506 6.209 525 1HD LYS 63 2HD LYS 63 -4.489 11.017 7.794 526 2HD LYS 63 1HD LYS 63 -3.550 12.372 7.169 527 1HE LYS 63 2HE LYS 63 -4.475 11.983 4.907 528 2HE LYS 63 1HE LYS 63 -5.428 10.624 5.536 529 1HZ LYS 63 1HZ LYS 63 -6.690 12.004 6.868 530 2HZ LYS 63 2HZ LYS 63 -6.490 12.964 5.481 531 3HZ LYS 63 3HZ LYS 63 -5.543 13.253 6.861 532 H LYS 64 H LYS 64 0.191 9.322 9.209 533 HA LYS 64 HA LYS 64 0.369 10.640 11.609 534 1HB LYS 64 2HB LYS 64 1.113 8.257 10.734 535 2HB LYS 64 1HB LYS 64 2.710 9.007 10.682 536 1HG LYS 64 2HG LYS 64 1.496 9.747 13.153 537 2HG LYS 64 1HG LYS 64 1.300 8.004 12.964 538 1HD LYS 64 2HD LYS 64 3.543 7.601 13.110 539 2HD LYS 64 1HD LYS 64 3.964 9.071 12.229 540 1HE LYS 64 2HE LYS 64 2.735 9.596 14.855 541 2HE LYS 64 1HE LYS 64 4.294 8.754 14.943 542 1HZ LYS 64 1HZ LYS 64 3.659 11.354 13.715 543 2HZ LYS 64 2HZ LYS 64 4.951 10.434 13.105 544 3HZ LYS 64 3HZ LYS 64 4.956 10.938 14.728 545 H ARG 65 H ARG 65 2.661 10.934 8.905 546 HA ARG 65 HA ARG 65 4.736 12.393 10.113 547 1HB ARG 65 2HB ARG 65 3.435 12.501 7.381 548 2HB ARG 65 1HB ARG 65 4.914 13.387 7.755 549 1HG ARG 65 2HG ARG 65 5.558 10.928 8.724 550 2HG ARG 65 1HG ARG 65 4.501 10.479 7.386 551 1HD ARG 65 2HD ARG 65 6.580 12.575 6.871 552 2HD ARG 65 1HD ARG 65 7.098 10.879 6.964 553 HE ARG 65 HE ARG 65 5.888 10.451 4.974 554 1HH1 ARG 65 1HH1 ARG 65 6.333 13.157 3.985 555 2HH1 ARG 65 2HH1 ARG 65 4.732 13.772 3.739 556 1HH2 ARG 65 1HH2 ARG 65 3.217 11.356 5.711 557 2HH2 ARG 65 2HH2 ARG 65 2.967 12.751 4.715 558 H LEU 66 H LEU 66 1.913 13.812 8.403 559 HA LEU 66 HA LEU 66 0.813 15.877 8.749 560 1HB LEU 66 2HB LEU 66 1.455 14.710 11.235 561 2HB LEU 66 1HB LEU 66 1.903 16.410 11.385 562 HG LEU 66 HG LEU 66 -0.428 16.163 12.031 563 1HD1 LEU 66 1HD1 LEU 66 0.498 17.805 9.897 564 2HD1 LEU 66 2HD1 LEU 66 -0.836 18.125 11.006 565 3HD1 LEU 66 3HD1 LEU 66 -1.135 17.285 9.485 566 1HD2 LEU 66 1HD2 LEU 66 -0.428 14.365 9.716 567 2HD2 LEU 66 2HD2 LEU 66 -1.803 15.469 9.719 568 3HD2 LEU 66 3HD2 LEU 66 -1.520 14.409 11.099 569 H GLY 67 H GLY 67 1.392 17.947 8.129 570 1HA GLY 67 2HA GLY 67 2.858 19.635 7.387 571 2HA GLY 67 1HA GLY 67 3.431 19.563 9.051 572 H ARG 68 H ARG 68 5.493 20.184 7.807 573 HA ARG 68 HA ARG 68 6.953 18.651 6.040 574 1HB ARG 68 2HB ARG 68 7.550 20.321 8.432 575 2HB ARG 68 1HB ARG 68 8.878 19.342 7.807 576 1HG ARG 68 2HG ARG 68 7.696 20.442 5.524 577 2HG ARG 68 1HG ARG 68 7.699 21.760 6.697 578 1HD ARG 68 2HD ARG 68 9.988 21.916 6.705 579 2HD ARG 68 1HD ARG 68 10.204 20.160 6.551 580 HE ARG 68 HE ARG 68 9.021 21.050 4.144 581 1HH1 ARG 68 1HH2 ARG 68 11.744 22.092 5.936 582 2HH1 ARG 68 2HH2 ARG 68 12.811 22.121 4.572 583 1HH2 ARG 68 1HH1 ARG 68 10.469 20.819 2.373 584 2HH2 ARG 68 2HH1 ARG 68 12.091 21.400 2.556 585 H TYR 69 H TYR 69 8.750 17.049 6.507 586 HA TYR 69 HA TYR 69 7.913 14.624 7.552 587 1HB TYR 69 2HB TYR 69 10.002 15.162 6.257 588 2HB TYR 69 1HB TYR 69 10.713 15.777 7.749 589 HD1 TYR 69 1HD TYR 69 8.736 12.752 6.709 590 HD2 TYR 69 2HD TYR 69 12.140 14.294 8.825 591 HE1 TYR 69 1HE TYR 69 9.380 10.445 7.352 592 HE2 TYR 69 2HE TYR 69 12.786 11.987 9.467 593 HH TYR 69 HH TYR 69 12.431 9.694 8.683 594 H LEU 70 H LEU 70 7.612 13.791 9.599 595 HA LEU 70 HA LEU 70 8.984 14.912 11.937 596 1HB LEU 70 2HB LEU 70 6.420 15.859 11.026 597 2HB LEU 70 1HB LEU 70 6.244 15.090 12.601 598 HG LEU 70 HG LEU 70 8.539 16.964 12.196 599 1HD1 LEU 70 1HD1 LEU 70 6.551 18.144 11.267 600 2HD1 LEU 70 2HD1 LEU 70 7.137 18.890 12.753 601 3HD1 LEU 70 3HD1 LEU 70 5.703 17.865 12.788 602 1HD2 LEU 70 1HD2 LEU 70 8.594 16.084 14.337 603 2HD2 LEU 70 2HD2 LEU 70 6.841 15.901 14.418 604 3HD2 LEU 70 3HD2 LEU 70 7.573 17.493 14.626 605 H GLY 71 H GLY 71 8.854 12.350 10.772 606 1HA GLY 71 2HA GLY 71 8.161 10.746 13.072 607 2HA GLY 71 1HA GLY 71 6.990 10.521 11.772 608 H LYS 72 H LYS 72 7.692 8.320 11.478 609 HA LYS 72 HA LYS 72 10.355 8.095 10.111 610 1HB LYS 72 2HB LYS 72 9.055 6.597 12.318 611 2HB LYS 72 1HB LYS 72 9.880 5.607 11.113 612 1HG LYS 72 2HG LYS 72 11.754 7.515 11.458 613 2HG LYS 72 1HG LYS 72 11.009 7.556 13.056 614 1HD LYS 72 2HD LYS 72 12.811 5.935 13.104 615 2HD LYS 72 1HD LYS 72 11.281 5.061 13.175 616 1HE LYS 72 2HE LYS 72 11.807 5.342 10.428 617 2HE LYS 72 1HE LYS 72 13.364 4.900 11.159 618 1HZ LYS 72 1HZ LYS 72 11.977 2.942 10.677 619 2HZ LYS 72 2HZ LYS 72 10.779 3.544 11.721 620 3HZ LYS 72 3HZ LYS 72 12.302 3.105 12.334 621 H ARG 73 H ARG 73 10.365 6.826 8.216 622 HA ARG 73 HA ARG 73 7.668 6.044 7.183 623 1HB ARG 73 2HB ARG 73 10.280 6.935 5.963 624 2HB ARG 73 1HB ARG 73 9.048 6.143 4.980 625 1HG ARG 73 2HG ARG 73 7.404 7.872 5.907 626 2HG ARG 73 1HG ARG 73 8.817 8.742 6.507 627 1HD ARG 73 2HD ARG 73 9.555 8.220 3.904 628 2HD ARG 73 1HD ARG 73 7.810 8.506 3.748 629 HE ARG 73 HE ARG 73 8.186 10.643 5.036 630 1HH1 ARG 73 1HH2 ARG 73 11.059 9.917 5.779 631 2HH1 ARG 73 2HH2 ARG 73 11.949 10.925 4.688 632 1HH2 ARG 73 1HH1 ARG 73 9.224 11.569 2.642 633 2HH2 ARG 73 2HH1 ARG 73 10.910 11.861 2.912 634 HA PRO 74 HA PRO 74 9.564 1.972 7.878 635 1HB PRO 74 2HB PRO 74 7.187 0.640 8.014 636 2HB PRO 74 1HB PRO 74 7.887 1.501 9.399 637 1HG PRO 74 2HG PRO 74 5.715 2.342 7.549 638 2HG PRO 74 1HG PRO 74 5.868 2.588 9.295 639 1HD PRO 74 2HD PRO 74 6.394 4.526 7.443 640 2HD PRO 74 1HD PRO 74 7.154 4.464 9.049 641 H ASP 75 H ASP 75 8.390 -0.227 6.710 642 HA ASP 75 HA ASP 75 8.328 0.493 3.812 643 1HB ASP 75 2HB ASP 75 9.942 -1.263 5.378 644 2HB ASP 75 1HB ASP 75 8.934 -2.269 4.336 645 H ARG 76 H ARG 76 6.033 0.726 3.841 646 HA ARG 76 HA ARG 76 4.509 -1.829 4.246 647 1HB ARG 76 2HB ARG 76 3.847 -0.231 5.893 648 2HB ARG 76 1HB ARG 76 3.842 1.085 4.717 649 1HG ARG 76 2HG ARG 76 1.544 0.273 5.296 650 2HG ARG 76 1HG ARG 76 1.919 0.131 3.578 651 1HD ARG 76 2HD ARG 76 1.486 -2.088 3.689 652 2HD ARG 76 1HD ARG 76 2.795 -2.274 4.873 653 HE ARG 76 HE ARG 76 -0.014 -1.538 5.615 654 1HH1 ARG 76 1HH2 ARG 76 1.403 -4.318 5.903 655 2HH1 ARG 76 2HH2 ARG 76 1.704 -4.313 7.609 656 1HH2 ARG 76 1HH1 ARG 76 1.087 -0.919 7.976 657 2HH2 ARG 76 2HH1 ARG 76 1.525 -2.389 8.782 658 H LYS 77 H LYS 77 2.983 -2.365 2.612 659 HA LYS 77 HA LYS 77 3.116 -0.682 0.129 660 1HB LYS 77 2HB LYS 77 3.127 -2.749 -1.111 661 2HB LYS 77 1HB LYS 77 4.330 -2.915 0.169 662 1HG LYS 77 2HG LYS 77 2.829 -4.220 1.521 663 2HG LYS 77 1HG LYS 77 1.472 -3.874 0.449 664 1HD LYS 77 2HD LYS 77 3.960 -5.315 -0.488 665 2HD LYS 77 1HD LYS 77 2.550 -6.162 0.145 666 1HE LYS 77 2HE LYS 77 1.743 -6.100 -1.979 667 2HE LYS 77 1HE LYS 77 1.474 -4.367 -1.707 668 1HZ LYS 77 1HZ LYS 77 4.135 -5.414 -2.455 669 2HZ LYS 77 2HZ LYS 77 3.548 -3.825 -2.582 670 3HZ LYS 77 3HZ LYS 77 2.985 -5.028 -3.641 671 H LYS 78 H LYS 78 1.146 -0.270 -0.900 672 HA LYS 78 HA LYS 78 -1.303 -1.080 0.591 673 1HB LYS 78 2HB LYS 78 -0.357 1.212 -1.008 674 2HB LYS 78 1HB LYS 78 -2.035 0.762 -1.319 675 1HG LYS 78 2HG LYS 78 -2.327 0.722 1.234 676 2HG LYS 78 1HG LYS 78 -0.776 1.560 1.309 677 1HD LYS 78 2HD LYS 78 -2.321 2.882 -0.670 678 2HD LYS 78 1HD LYS 78 -3.373 2.651 0.727 679 1HE LYS 78 2HE LYS 78 -2.231 4.185 1.956 680 2HE LYS 78 1HE LYS 78 -0.661 3.511 1.473 681 1HZ LYS 78 1HZ LYS 78 -1.081 4.508 -0.766 682 2HZ LYS 78 2HZ LYS 78 -0.828 5.642 0.474 683 3HZ LYS 78 3HZ LYS 78 -2.401 5.337 -0.094 684 H ALA 79 H ALA 79 -3.105 -2.042 -0.594 685 HA ALA 79 HA ALA 79 -2.312 -3.221 -3.240 686 1HB ALA 79 1HB ALA 79 -3.198 -5.212 -2.537 687 2HB ALA 79 2HB ALA 79 -4.398 -4.420 -1.506 688 3HB ALA 79 3HB ALA 79 -2.719 -4.551 -0.969 689 H ILE 80 H ILE 80 -3.507 -2.380 -4.899 690 HA ILE 80 HA ILE 80 -6.210 -1.287 -4.325 691 HB ILE 80 HB ILE 80 -4.524 -1.270 -6.843 692 1HG1 ILE 80 2HG1 ILE 80 -4.706 0.645 -4.506 693 2HG1 ILE 80 1HG1 ILE 80 -3.263 -0.129 -5.158 694 1HG2 ILE 80 1HG2 ILE 80 -6.324 0.960 -6.459 695 2HG2 ILE 80 2HG2 ILE 80 -7.214 -0.560 -6.366 696 3HG2 ILE 80 3HG2 ILE 80 -6.253 -0.187 -7.796 697 1HD1 ILE 80 1HD1 ILE 80 -3.564 1.114 -7.276 698 2HD1 ILE 80 2HD1 ILE 80 -3.379 2.206 -5.901 699 3HD1 ILE 80 3HD1 ILE 80 -4.979 1.916 -6.587 700 H VAL 81 H VAL 81 -7.782 -2.874 -4.416 701 HA VAL 81 HA VAL 81 -7.469 -5.086 -6.388 702 HB VAL 81 HB VAL 81 -9.609 -4.757 -4.280 703 1HG1 VAL 81 1HG1 VAL 81 -10.145 -6.838 -4.939 704 2HG1 VAL 81 2HG1 VAL 81 -8.513 -7.391 -4.564 705 3HG1 VAL 81 3HG1 VAL 81 -8.884 -6.761 -6.169 706 1HG2 VAL 81 1HG2 VAL 81 -6.722 -5.035 -3.899 707 2HG2 VAL 81 2HG2 VAL 81 -7.620 -6.371 -3.178 708 3HG2 VAL 81 3HG2 VAL 81 -7.980 -4.709 -2.705 709 H GLN 82 H GLN 82 -8.627 -4.988 -8.300 710 HA GLN 82 HA GLN 82 -10.883 -3.029 -8.446 711 1HB GLN 82 2HB GLN 82 -9.099 -2.657 -10.020 712 2HB GLN 82 1HB GLN 82 -9.055 -4.352 -10.469 713 1HG GLN 82 2HG GLN 82 -10.418 -3.756 -12.171 714 2HG GLN 82 1HG GLN 82 -11.683 -3.676 -10.947 715 1HE2 GLN 82 1HE2 GLN 82 -12.081 -1.497 -9.946 716 2HE2 GLN 82 2HE2 GLN 82 -11.699 -0.097 -10.827 717 H VAL 83 H VAL 83 -12.926 -3.811 -9.090 718 HA VAL 83 HA VAL 83 -13.030 -6.766 -9.418 719 HB VAL 83 HB VAL 83 -15.025 -6.810 -8.209 720 1HG1 VAL 83 1HG1 VAL 83 -13.586 -4.408 -7.040 721 2HG1 VAL 83 2HG1 VAL 83 -13.092 -6.083 -6.795 722 3HG1 VAL 83 3HG1 VAL 83 -14.643 -5.522 -6.173 723 1HG2 VAL 83 1HG2 VAL 83 -16.155 -5.085 -9.580 724 2HG2 VAL 83 2HG2 VAL 83 -15.299 -3.827 -8.678 725 3HG2 VAL 83 3HG2 VAL 83 -16.468 -4.862 -7.854 726 H ALA 84 H ALA 84 -14.647 -7.551 -10.911 727 HA ALA 84 HA ALA 84 -14.682 -6.099 -13.397 728 1HB ALA 84 1HB ALA 84 -15.524 -8.637 -12.232 729 2HB ALA 84 2HB ALA 84 -14.886 -8.296 -13.847 730 3HB ALA 84 3HB ALA 84 -16.608 -8.082 -13.506 731 HA PRO 85 HA PRO 85 -18.464 -3.908 -13.260 732 1HB PRO 85 2HB PRO 85 -19.745 -4.633 -15.570 733 2HB PRO 85 1HB PRO 85 -18.311 -3.602 -15.546 734 1HG PRO 85 2HG PRO 85 -18.550 -6.455 -16.196 735 2HG PRO 85 1HG PRO 85 -17.489 -5.232 -16.889 736 1HD PRO 85 2HD PRO 85 -16.683 -7.111 -15.054 737 2HD PRO 85 1HD PRO 85 -15.879 -5.556 -15.303 738 H GLY 86 H GLY 86 -20.537 -4.124 -12.404 739 1HA GLY 86 2HA GLY 86 -22.669 -5.361 -12.240 740 2HA GLY 86 1HA GLY 86 -21.749 -6.856 -12.424 741 H GLN 87 H GLN 87 -19.616 -5.789 -10.589 742 HA GLN 87 HA GLN 87 -21.089 -6.256 -8.019 743 1HB GLN 87 2HB GLN 87 -18.750 -7.063 -7.321 744 2HB GLN 87 1HB GLN 87 -19.594 -8.055 -8.510 745 1HG GLN 87 2HG GLN 87 -17.988 -5.872 -9.670 746 2HG GLN 87 1HG GLN 87 -17.046 -7.103 -8.829 747 1HE2 GLN 87 1HE2 GLN 87 -17.836 -9.478 -9.428 748 2HE2 GLN 87 2HE2 GLN 87 -18.146 -9.745 -11.075 749 H LYS 88 H LYS 88 -19.638 -5.337 -6.111 750 HA LYS 88 HA LYS 88 -17.968 -3.047 -6.541 751 1HB LYS 88 2HB LYS 88 -19.725 -1.321 -5.937 752 2HB LYS 88 1HB LYS 88 -19.953 -2.069 -7.519 753 1HG LYS 88 2HG LYS 88 -21.456 -3.771 -6.271 754 2HG LYS 88 1HG LYS 88 -21.469 -2.585 -4.965 755 1HD LYS 88 2HD LYS 88 -23.103 -1.486 -6.052 756 2HD LYS 88 1HD LYS 88 -21.947 -1.129 -7.336 757 1HE LYS 88 2HE LYS 88 -23.877 -2.263 -8.320 758 2HE LYS 88 1HE LYS 88 -22.502 -3.385 -8.348 759 1HZ LYS 88 1HZ LYS 88 -24.811 -4.067 -7.290 760 2HZ LYS 88 2HZ LYS 88 -24.141 -3.303 -5.929 761 3HZ LYS 88 3HZ LYS 88 -23.340 -4.617 -6.649 762 H ILE 89 H ILE 89 -16.850 -2.996 -4.631 763 HA ILE 89 HA ILE 89 -17.850 -4.263 -2.214 764 HB ILE 89 HB ILE 89 -15.463 -2.508 -2.870 765 1HG1 ILE 89 2HG1 ILE 89 -15.904 -5.496 -2.624 766 2HG1 ILE 89 1HG1 ILE 89 -15.361 -4.602 -4.045 767 1HG2 ILE 89 1HG2 ILE 89 -14.724 -2.673 -0.720 768 2HG2 ILE 89 2HG2 ILE 89 -15.379 -4.297 -0.515 769 3HG2 ILE 89 3HG2 ILE 89 -16.434 -2.894 -0.349 770 1HD1 ILE 89 1HD1 ILE 89 -13.846 -5.229 -1.520 771 2HD1 ILE 89 2HD1 ILE 89 -13.385 -3.848 -2.515 772 3HD1 ILE 89 3HD1 ILE 89 -13.355 -5.475 -3.196 773 H GLU 90 H GLU 90 -19.749 -3.108 -1.573 774 HA GLU 90 HA GLU 90 -19.838 -0.222 -1.328 775 1HB GLU 90 2HB GLU 90 -21.982 -0.717 -0.237 776 2HB GLU 90 1HB GLU 90 -21.781 -1.753 -1.652 777 1HG GLU 90 2HG GLU 90 -21.168 -3.633 -0.305 778 2HG GLU 90 1HG GLU 90 -20.987 -2.628 1.133 779 H ALA 91 H ALA 91 -18.469 -2.710 0.614 780 HA ALA 91 HA ALA 91 -18.804 -1.764 3.254 781 1HB ALA 91 1HB ALA 91 -17.781 -3.880 2.803 782 2HB ALA 91 2HB ALA 91 -16.517 -2.891 3.534 783 3HB ALA 91 3HB ALA 91 -16.542 -3.141 1.788 784 H LEU 92 H LEU 92 -16.887 -0.445 0.638 785 HA LEU 92 HA LEU 92 -15.531 1.432 2.538 786 1HB LEU 92 2HB LEU 92 -14.820 1.441 -0.339 787 2HB LEU 92 1HB LEU 92 -13.768 1.402 1.072 788 HG LEU 92 HG LEU 92 -15.266 -0.935 -0.142 789 1HD1 LEU 92 1HD1 LEU 92 -12.390 -1.172 0.305 790 2HD1 LEU 92 2HD1 LEU 92 -12.783 0.178 -0.759 791 3HD1 LEU 92 3HD1 LEU 92 -13.319 -1.452 -1.168 792 1HD2 LEU 92 1HD2 LEU 92 -14.639 -0.522 2.553 793 2HD2 LEU 92 2HD2 LEU 92 -13.328 -1.539 1.954 794 3HD2 LEU 92 3HD2 LEU 92 -15.001 -2.073 1.795 795 H GLU 93 H GLU 93 -17.881 1.220 -0.021 796 HA GLU 93 HA GLU 93 -17.877 3.905 -0.960 797 1HB GLU 93 2HB GLU 93 -19.737 1.580 -0.839 798 2HB GLU 93 1HB GLU 93 -20.455 3.148 -1.213 799 1HG GLU 93 2HG GLU 93 -17.947 2.459 -2.658 800 2HG GLU 93 1HG GLU 93 -19.393 1.555 -3.111 801 H GLY 94 H GLY 94 -19.281 2.442 1.934 802 1HA GLY 94 2HA GLY 94 -20.603 5.014 2.623 803 2HA GLY 94 1HA GLY 94 -20.879 3.475 3.436 804 H LEU 95 H LEU 95 -17.662 3.474 3.102 805 HA LEU 95 HA LEU 95 -17.086 3.971 5.853 806 1HB LEU 95 2HB LEU 95 -15.801 3.085 3.477 807 2HB LEU 95 1HB LEU 95 -14.800 4.374 4.146 808 HG LEU 95 HG LEU 95 -14.643 3.255 6.272 809 1HD1 LEU 95 1HD1 LEU 95 -16.447 2.086 6.956 810 2HD1 LEU 95 2HD1 LEU 95 -15.887 0.771 5.923 811 3HD1 LEU 95 3HD1 LEU 95 -17.052 1.942 5.306 812 1HD2 LEU 95 1HD2 LEU 95 -12.986 2.277 4.990 813 2HD2 LEU 95 2HD2 LEU 95 -14.129 1.656 3.799 814 3HD2 LEU 95 3HD2 LEU 95 -13.946 0.843 5.353 815 H ILE 96 H ILE 96 -17.654 6.168 3.292 816 HA ILE 96 HA ILE 96 -15.903 8.324 4.120 817 HB ILE 96 HB ILE 96 -18.450 8.160 2.480 818 1HG1 ILE 96 2HG1 ILE 96 -16.291 8.821 0.860 819 2HG1 ILE 96 1HG1 ILE 96 -15.605 7.660 1.997 820 1HG2 ILE 96 1HG2 ILE 96 -16.589 10.457 3.081 821 2HG2 ILE 96 2HG2 ILE 96 -18.351 10.429 3.128 822 3HG2 ILE 96 3HG2 ILE 96 -17.510 10.404 1.578 823 1HD1 ILE 96 1HD1 ILE 96 -16.859 6.865 -0.228 824 2HD1 ILE 96 2HD1 ILE 96 -18.270 7.019 0.818 825 3HD1 ILE 96 3HD1 ILE 96 -16.953 5.937 1.268 Start of MODEL 10 1 1H MET 1 1HT MET 1 -5.717 -18.812 7.284 2 2H MET 1 2HT MET 1 -5.700 -20.136 6.218 3 3H MET 1 3HT MET 1 -7.064 -19.839 7.186 4 HA MET 1 HA MET 1 -6.960 -19.094 4.650 5 1HB MET 1 2HB MET 1 -8.584 -17.237 5.540 6 2HB MET 1 1HB MET 1 -8.962 -18.928 5.884 7 1HG MET 1 2HG MET 1 -7.185 -17.825 7.903 8 2HG MET 1 1HG MET 1 -8.658 -16.865 7.761 9 1HE MET 1 1HE MET 1 -7.468 -19.873 10.012 10 2HE MET 1 2HE MET 1 -8.829 -19.125 10.845 11 3HE MET 1 3HE MET 1 -7.630 -18.111 10.047 12 H LYS 2 H LYS 2 -4.976 -18.125 3.878 13 HA LYS 2 HA LYS 2 -4.057 -15.622 5.140 14 1HB LYS 2 2HB LYS 2 -3.003 -16.326 2.479 15 2HB LYS 2 1HB LYS 2 -2.139 -15.964 3.955 16 1HG LYS 2 2HG LYS 2 -1.612 -18.191 3.853 17 2HG LYS 2 1HG LYS 2 -3.182 -18.367 4.637 18 1HD LYS 2 2HD LYS 2 -3.981 -19.486 2.858 19 2HD LYS 2 1HD LYS 2 -3.571 -18.138 1.798 20 1HE LYS 2 2HE LYS 2 -1.888 -19.358 0.906 21 2HE LYS 2 1HE LYS 2 -1.142 -19.501 2.510 22 1HZ LYS 2 1HZ LYS 2 -3.226 -21.235 1.311 23 2HZ LYS 2 2HZ LYS 2 -2.889 -21.233 2.976 24 3HZ LYS 2 3HZ LYS 2 -1.689 -21.689 1.866 25 H THR 3 H THR 3 -6.208 -14.601 4.768 26 HA THR 3 HA THR 3 -6.428 -13.535 1.981 27 HB THR 3 HB THR 3 -8.390 -14.749 2.271 28 HG1 THR 3 1HG THR 3 -9.703 -12.862 3.605 29 1HG2 THR 3 1HG2 THR 3 -7.974 -14.167 5.187 30 2HG2 THR 3 2HG2 THR 3 -8.236 -15.716 4.384 31 3HG2 THR 3 3HG2 THR 3 -9.586 -14.607 4.624 32 H ALA 4 H ALA 4 -8.274 -12.388 4.726 33 HA ALA 4 HA ALA 4 -7.104 -9.697 4.400 34 1HB ALA 4 1HB ALA 4 -9.453 -11.008 5.742 35 2HB ALA 4 2HB ALA 4 -9.433 -9.655 4.606 36 3HB ALA 4 3HB ALA 4 -8.961 -9.402 6.287 37 H TYR 5 H TYR 5 -7.099 -12.406 6.583 38 HA TYR 5 HA TYR 5 -6.316 -11.702 9.079 39 1HB TYR 5 2HB TYR 5 -5.040 -13.753 9.052 40 2HB TYR 5 1HB TYR 5 -6.332 -13.964 7.864 41 HD1 TYR 5 1HD TYR 5 -5.608 -12.704 5.501 42 HD2 TYR 5 2HD TYR 5 -2.964 -14.591 8.291 43 HE1 TYR 5 1HE TYR 5 -3.942 -12.904 3.718 44 HE2 TYR 5 2HE TYR 5 -1.263 -14.834 6.493 45 HH TYR 5 HH TYR 5 -0.710 -14.295 4.407 46 H ASP 6 H ASP 6 -4.384 -11.037 6.183 47 HA ASP 6 HA ASP 6 -2.516 -9.375 7.733 48 1HB ASP 6 2HB ASP 6 -1.895 -12.078 6.522 49 2HB ASP 6 1HB ASP 6 -0.623 -10.872 6.736 50 H VAL 7 H VAL 7 -2.655 -11.175 4.640 51 HA VAL 7 HA VAL 7 -1.294 -9.467 2.947 52 HB VAL 7 HB VAL 7 -3.973 -10.794 2.377 53 1HG1 VAL 7 1HG1 VAL 7 -2.049 -10.886 0.248 54 2HG1 VAL 7 2HG1 VAL 7 -2.277 -9.212 0.761 55 3HG1 VAL 7 3HG1 VAL 7 -3.662 -10.175 0.245 56 1HG2 VAL 7 1HG2 VAL 7 -1.422 -12.095 1.622 57 2HG2 VAL 7 2HG2 VAL 7 -2.934 -12.811 2.181 58 3HG2 VAL 7 3HG2 VAL 7 -1.807 -12.096 3.340 59 H ILE 8 H ILE 8 -4.842 -9.321 3.013 60 HA ILE 8 HA ILE 8 -4.633 -6.358 2.688 61 HB ILE 8 HB ILE 8 -6.939 -8.210 2.050 62 1HG1 ILE 8 2HG1 ILE 8 -4.515 -7.494 0.377 63 2HG1 ILE 8 1HG1 ILE 8 -5.066 -9.106 0.840 64 1HG2 ILE 8 1HG2 ILE 8 -6.254 -5.806 0.421 65 2HG2 ILE 8 2HG2 ILE 8 -6.813 -5.480 2.065 66 3HG2 ILE 8 3HG2 ILE 8 -7.837 -6.385 0.951 67 1HD1 ILE 8 1HD1 ILE 8 -7.017 -8.932 -0.542 68 2HD1 ILE 8 2HD1 ILE 8 -5.654 -8.404 -1.525 69 3HD1 ILE 8 3HD1 ILE 8 -6.742 -7.213 -0.823 70 H LEU 9 H LEU 9 -4.376 -6.634 5.224 71 HA LEU 9 HA LEU 9 -6.459 -7.447 6.930 72 1HB LEU 9 2HB LEU 9 -4.338 -5.304 7.036 73 2HB LEU 9 1HB LEU 9 -5.414 -5.583 8.403 74 HG LEU 9 HG LEU 9 -4.109 -7.976 7.198 75 1HD1 LEU 9 1HD1 LEU 9 -1.978 -7.434 7.721 76 2HD1 LEU 9 2HD1 LEU 9 -2.458 -6.736 9.267 77 3HD1 LEU 9 3HD1 LEU 9 -2.534 -5.762 7.798 78 1HD2 LEU 9 1HD2 LEU 9 -5.713 -7.573 9.344 79 2HD2 LEU 9 2HD2 LEU 9 -4.139 -7.381 10.113 80 3HD2 LEU 9 3HD2 LEU 9 -4.531 -8.879 9.268 81 H ALA 10 H ALA 10 -5.958 -3.997 7.051 82 HA ALA 10 HA ALA 10 -8.890 -3.598 6.717 83 1HB ALA 10 1HB ALA 10 -6.925 -2.704 8.500 84 2HB ALA 10 2HB ALA 10 -8.577 -2.096 8.382 85 3HB ALA 10 3HB ALA 10 -7.277 -1.298 7.496 86 HA PRO 11 HA PRO 11 -8.307 -1.612 2.833 87 1HB PRO 11 2HB PRO 11 -10.575 -0.084 2.784 88 2HB PRO 11 1HB PRO 11 -10.593 -1.843 2.547 89 1HG PRO 11 2HG PRO 11 -11.287 -0.251 4.955 90 2HG PRO 11 1HG PRO 11 -12.009 -1.746 4.341 91 1HD PRO 11 2HD PRO 11 -10.233 -1.624 6.437 92 2HD PRO 11 1HD PRO 11 -10.508 -3.064 5.433 93 H VAL 12 H VAL 12 -7.979 0.593 1.924 94 HA VAL 12 HA VAL 12 -7.254 2.582 4.052 95 HB VAL 12 HB VAL 12 -5.269 1.871 2.998 96 1HG1 VAL 12 1HG1 VAL 12 -5.881 0.488 1.242 97 2HG1 VAL 12 2HG1 VAL 12 -5.293 1.890 0.348 98 3HG1 VAL 12 3HG1 VAL 12 -7.026 1.657 0.585 99 1HG2 VAL 12 1HG2 VAL 12 -4.461 3.790 1.898 100 2HG2 VAL 12 2HG2 VAL 12 -5.817 4.417 2.834 101 3HG2 VAL 12 3HG2 VAL 12 -6.008 4.102 1.108 102 H LEU 13 H LEU 13 -8.859 4.118 4.079 103 HA LEU 13 HA LEU 13 -10.120 4.936 1.501 104 1HB LEU 13 2HB LEU 13 -10.819 5.372 4.423 105 2HB LEU 13 1HB LEU 13 -11.789 5.955 3.071 106 HG LEU 13 HG LEU 13 -12.794 3.894 3.690 107 1HD1 LEU 13 1HD1 LEU 13 -12.201 4.196 1.222 108 2HD1 LEU 13 2HD1 LEU 13 -12.526 2.540 1.738 109 3HD1 LEU 13 3HD1 LEU 13 -10.862 3.082 1.507 110 1HD2 LEU 13 1HD2 LEU 13 -10.250 2.336 3.477 111 2HD2 LEU 13 2HD2 LEU 13 -11.667 2.035 4.483 112 3HD2 LEU 13 3HD2 LEU 13 -10.513 3.288 4.938 113 H SER 14 H SER 14 -8.876 6.558 0.584 114 HA SER 14 HA SER 14 -8.309 8.952 2.287 115 1HB SER 14 2HB SER 14 -6.357 8.007 0.211 116 2HB SER 14 1HB SER 14 -6.057 8.941 1.673 117 HG SER 14 HG SER 14 -6.031 7.146 2.828 118 H GLU 15 H GLU 15 -7.615 10.832 0.733 119 HA GLU 15 HA GLU 15 -9.715 11.458 -1.047 120 1HB GLU 15 2HB GLU 15 -6.832 12.409 -1.070 121 2HB GLU 15 1HB GLU 15 -8.217 13.282 -1.726 122 1HG GLU 15 2HG GLU 15 -8.736 14.106 0.303 123 2HG GLU 15 1HG GLU 15 -8.725 12.492 1.014 124 H LYS 16 H LYS 16 -6.350 10.772 -2.084 125 HA LYS 16 HA LYS 16 -6.885 10.394 -4.813 126 1HB LYS 16 2HB LYS 16 -4.659 10.639 -3.797 127 2HB LYS 16 1HB LYS 16 -4.836 9.071 -3.007 128 1HG LYS 16 2HG LYS 16 -4.905 7.933 -5.146 129 2HG LYS 16 1HG LYS 16 -4.929 9.472 -6.009 130 1HD LYS 16 2HD LYS 16 -2.696 9.994 -5.343 131 2HD LYS 16 1HD LYS 16 -2.674 8.691 -4.153 132 1HE LYS 16 2HE LYS 16 -2.974 7.060 -6.087 133 2HE LYS 16 1HE LYS 16 -2.660 8.428 -7.175 134 1HZ LYS 16 1HZ LYS 16 -0.875 8.006 -4.885 135 2HZ LYS 16 2HZ LYS 16 -0.538 8.689 -6.403 136 3HZ LYS 16 3HZ LYS 16 -0.687 7.005 -6.240 137 H ALA 17 H ALA 17 -7.144 8.094 -2.126 138 HA ALA 17 HA ALA 17 -7.575 5.751 -3.776 139 1HB ALA 17 1HB ALA 17 -7.692 6.570 -0.925 140 2HB ALA 17 2HB ALA 17 -6.950 5.145 -1.652 141 3HB ALA 17 3HB ALA 17 -8.689 5.180 -1.356 142 H TYR 18 H TYR 18 -9.798 7.853 -1.905 143 HA TYR 18 HA TYR 18 -12.225 6.571 -2.610 144 1HB TYR 18 2HB TYR 18 -11.307 9.239 -1.664 145 2HB TYR 18 1HB TYR 18 -12.943 9.164 -2.322 146 HD1 TYR 18 1HD TYR 18 -13.749 6.417 -1.578 147 HD2 TYR 18 2HD TYR 18 -11.625 9.394 0.670 148 HE1 TYR 18 1HE TYR 18 -14.552 5.389 0.535 149 HE2 TYR 18 2HE TYR 18 -12.429 8.372 2.784 150 HH TYR 18 HH TYR 18 -13.484 6.625 3.695 151 H ALA 19 H ALA 19 -10.261 8.901 -4.395 152 HA ALA 19 HA ALA 19 -12.330 9.211 -6.481 153 1HB ALA 19 1HB ALA 19 -9.518 10.238 -6.680 154 2HB ALA 19 2HB ALA 19 -10.579 10.922 -5.449 155 3HB ALA 19 3HB ALA 19 -11.025 11.022 -7.153 156 H GLY 20 H GLY 20 -9.832 7.050 -5.763 157 1HA GLY 20 2HA GLY 20 -9.422 6.346 -8.641 158 2HA GLY 20 1HA GLY 20 -8.318 5.903 -7.336 159 H PHE 21 H PHE 21 -10.379 5.152 -5.479 160 HA PHE 21 HA PHE 21 -10.825 2.415 -6.358 161 1HB PHE 21 2HB PHE 21 -11.091 2.128 -4.095 162 2HB PHE 21 1HB PHE 21 -10.492 3.775 -3.993 163 HD1 PHE 21 1HD PHE 21 -12.911 1.755 -2.698 164 HD2 PHE 21 2HD PHE 21 -12.560 5.522 -4.723 165 HE1 PHE 21 1HE PHE 21 -15.069 2.481 -1.720 166 HE2 PHE 21 2HE PHE 21 -14.719 6.252 -3.745 167 HZ PHE 21 HZ PHE 21 -15.975 4.730 -2.242 168 H ALA 22 H ALA 22 -12.519 5.378 -6.583 169 HA ALA 22 HA ALA 22 -15.221 4.615 -6.498 170 1HB ALA 22 1HB ALA 22 -13.754 6.873 -6.915 171 2HB ALA 22 2HB ALA 22 -15.500 6.782 -7.154 172 3HB ALA 22 3HB ALA 22 -14.410 6.599 -8.529 173 H GLU 23 H GLU 23 -12.791 3.947 -8.872 174 HA GLU 23 HA GLU 23 -14.707 3.355 -11.040 175 1HB GLU 23 2HB GLU 23 -12.067 4.175 -10.819 176 2HB GLU 23 1HB GLU 23 -11.915 2.484 -11.286 177 1HG GLU 23 2HG GLU 23 -12.530 2.959 -13.399 178 2HG GLU 23 1HG GLU 23 -14.010 3.733 -12.829 179 H GLY 24 H GLY 24 -14.348 1.760 -8.336 180 1HA GLY 24 2HA GLY 24 -15.034 -0.511 -7.978 181 2HA GLY 24 1HA GLY 24 -14.508 -0.877 -9.618 182 H LYS 25 H LYS 25 -12.169 1.034 -8.398 183 HA LYS 25 HA LYS 25 -10.294 -1.179 -7.980 184 1HB LYS 25 2HB LYS 25 -10.217 1.846 -8.032 185 2HB LYS 25 1HB LYS 25 -8.785 0.909 -7.614 186 1HG LYS 25 2HG LYS 25 -8.978 -0.306 -9.768 187 2HG LYS 25 1HG LYS 25 -10.373 0.684 -10.187 188 1HD LYS 25 2HD LYS 25 -9.087 2.470 -10.735 189 2HD LYS 25 1HD LYS 25 -8.030 2.245 -9.341 190 1HE LYS 25 2HE LYS 25 -6.577 0.849 -10.493 191 2HE LYS 25 1HE LYS 25 -7.849 0.257 -11.582 192 1HZ LYS 25 1HZ LYS 25 -6.807 1.741 -12.954 193 2HZ LYS 25 2HZ LYS 25 -6.336 2.770 -11.686 194 3HZ LYS 25 3HZ LYS 25 -7.944 2.776 -12.236 195 H TYR 26 H TYR 26 -9.396 -1.747 -5.932 196 HA TYR 26 HA TYR 26 -10.455 -0.203 -3.596 197 1HB TYR 26 2HB TYR 26 -10.263 -3.185 -4.061 198 2HB TYR 26 1HB TYR 26 -10.592 -2.471 -2.482 199 HD1 TYR 26 1HD TYR 26 -12.293 -0.204 -3.055 200 HD2 TYR 26 2HD TYR 26 -12.280 -4.104 -4.852 201 HE1 TYR 26 1HE TYR 26 -14.682 0.068 -3.658 202 HE2 TYR 26 2HE TYR 26 -14.672 -3.832 -5.453 203 HH TYR 26 HH TYR 26 -16.686 -1.873 -4.142 204 H THR 27 H THR 27 -8.721 0.785 -2.740 205 HA THR 27 HA THR 27 -6.029 -0.321 -2.841 206 HB THR 27 HB THR 27 -6.987 2.046 -1.239 207 HG1 THR 27 1HG THR 27 -6.493 3.109 -3.391 208 1HG2 THR 27 1HG2 THR 27 -4.575 2.095 -2.965 209 2HG2 THR 27 2HG2 THR 27 -4.511 1.015 -1.573 210 3HG2 THR 27 3HG2 THR 27 -4.809 2.738 -1.339 211 H PHE 28 H PHE 28 -5.131 -1.537 -1.252 212 HA PHE 28 HA PHE 28 -6.580 -1.711 1.373 213 1HB PHE 28 2HB PHE 28 -5.125 -3.799 -0.272 214 2HB PHE 28 1HB PHE 28 -5.816 -4.083 1.318 215 HD1 PHE 28 1HD PHE 28 -8.326 -2.486 1.124 216 HD2 PHE 28 2HD PHE 28 -6.440 -5.135 -1.682 217 HE1 PHE 28 1HE PHE 28 -10.530 -2.949 0.084 218 HE2 PHE 28 2HE PHE 28 -8.647 -5.596 -2.726 219 HZ PHE 28 HZ PHE 28 -10.689 -4.506 -1.840 220 H TRP 29 H TRP 29 -5.126 -2.438 3.159 221 HA TRP 29 HA TRP 29 -2.368 -1.331 2.850 222 1HB TRP 29 2HB TRP 29 -4.375 -1.645 5.072 223 2HB TRP 29 1HB TRP 29 -2.661 -1.635 5.489 224 HD1 TRP 29 HD TRP 29 -5.192 0.696 5.692 225 HE1 TRP 29 1HE TRP 29 -4.481 3.100 5.094 226 HE3 TRP 29 3HE TRP 29 -0.859 -0.266 3.162 227 HZ2 TRP 29 2HZ TRP 29 -2.358 4.439 3.726 228 HZ3 TRP 29 3HZ TRP 29 0.489 1.593 2.224 229 HH2 TRP 29 HH TRP 29 -0.256 3.942 2.502 230 H VAL 30 H VAL 30 -0.847 -2.972 2.603 231 HA VAL 30 HA VAL 30 -1.518 -5.596 3.853 232 HB VAL 30 HB VAL 30 -2.275 -5.645 1.614 233 1HG1 VAL 30 1HG1 VAL 30 -0.861 -4.959 -0.292 234 2HG1 VAL 30 2HG1 VAL 30 0.415 -4.496 0.832 235 3HG1 VAL 30 3HG1 VAL 30 -1.114 -3.619 0.826 236 1HG2 VAL 30 1HG2 VAL 30 0.439 -6.794 1.215 237 2HG2 VAL 30 2HG2 VAL 30 -1.143 -7.459 0.799 238 3HG2 VAL 30 3HG2 VAL 30 -0.601 -7.455 2.475 239 H HIS 31 H HIS 31 0.288 -7.037 4.023 240 HA HIS 31 HA HIS 31 2.713 -5.752 4.972 241 1HB HIS 31 2HB HIS 31 1.349 -8.054 5.462 242 2HB HIS 31 1HB HIS 31 2.628 -8.669 4.415 243 HD1 HIS 31 1HD HIS 31 4.256 -9.693 6.036 244 HD2 HIS 31 2HD HIS 31 3.051 -5.886 7.234 245 HE1 HIS 31 1HE HIS 31 5.666 -9.097 8.055 246 HA PRO 32 HA PRO 32 5.038 -5.815 1.236 247 1HB PRO 32 2HB PRO 32 7.559 -6.013 2.275 248 2HB PRO 32 1HB PRO 32 6.600 -4.526 2.342 249 1HG PRO 32 2HG PRO 32 7.045 -6.572 4.456 250 2HG PRO 32 1HG PRO 32 7.001 -4.807 4.589 251 1HD PRO 32 2HD PRO 32 4.912 -6.388 5.291 252 2HD PRO 32 1HD PRO 32 4.705 -4.737 4.666 253 H LYS 33 H LYS 33 3.937 -8.122 1.170 254 HA LYS 33 HA LYS 33 5.880 -10.041 0.297 255 1HB LYS 33 2HB LYS 33 5.352 -11.650 2.273 256 2HB LYS 33 1HB LYS 33 6.493 -10.338 2.566 257 1HG LYS 33 2HG LYS 33 5.170 -9.550 4.202 258 2HG LYS 33 1HG LYS 33 3.858 -9.331 3.051 259 1HD LYS 33 2HD LYS 33 4.503 -11.948 4.444 260 2HD LYS 33 1HD LYS 33 3.232 -10.833 4.946 261 1HE LYS 33 2HE LYS 33 2.056 -11.126 2.836 262 2HE LYS 33 1HE LYS 33 3.386 -12.109 2.191 263 1HZ LYS 33 1HZ LYS 33 2.024 -12.788 4.729 264 2HZ LYS 33 2HZ LYS 33 3.012 -13.780 3.766 265 3HZ LYS 33 3HZ LYS 33 1.453 -13.358 3.237 266 H ALA 34 H ALA 34 2.654 -9.460 1.648 267 HA ALA 34 HA ALA 34 1.197 -11.694 0.913 268 1HB ALA 34 1HB ALA 34 0.762 -8.960 1.509 269 2HB ALA 34 2HB ALA 34 -0.441 -10.248 1.487 270 3HB ALA 34 3HB ALA 34 -0.150 -9.288 0.035 271 H THR 35 H THR 35 2.012 -12.718 -0.999 272 HA THR 35 HA THR 35 2.826 -11.788 -3.428 273 HB THR 35 HB THR 35 1.186 -13.806 -4.219 274 HG1 THR 35 1HG THR 35 1.209 -15.170 -2.237 275 1HG2 THR 35 1HG2 THR 35 3.873 -13.481 -3.347 276 2HG2 THR 35 2HG2 THR 35 3.218 -14.743 -4.389 277 3HG2 THR 35 3HG2 THR 35 3.267 -14.980 -2.642 278 H LYS 36 H LYS 36 1.999 -10.510 -5.038 279 HA LYS 36 HA LYS 36 -0.282 -8.955 -4.932 280 1HB LYS 36 2HB LYS 36 1.612 -9.896 -6.911 281 2HB LYS 36 1HB LYS 36 0.011 -9.736 -7.635 282 1HG LYS 36 2HG LYS 36 0.227 -7.457 -6.066 283 2HG LYS 36 1HG LYS 36 1.852 -7.651 -6.725 284 1HD LYS 36 2HD LYS 36 1.036 -7.649 -8.979 285 2HD LYS 36 1HD LYS 36 -0.638 -7.792 -8.440 286 1HE LYS 36 2HE LYS 36 -0.747 -5.557 -7.748 287 2HE LYS 36 1HE LYS 36 1.013 -5.432 -7.550 288 1HZ LYS 36 1HZ LYS 36 -0.242 -5.987 -10.175 289 2HZ LYS 36 2HZ LYS 36 1.346 -5.473 -9.857 290 3HZ LYS 36 3HZ LYS 36 0.045 -4.403 -9.640 291 H THR 37 H THR 37 -0.055 -12.262 -6.263 292 HA THR 37 HA THR 37 -2.761 -12.513 -7.123 293 HB THR 37 HB THR 37 -1.079 -14.688 -5.967 294 HG1 THR 37 1HG THR 37 0.145 -14.671 -7.774 295 1HG2 THR 37 1HG2 THR 37 -3.199 -15.458 -6.720 296 2HG2 THR 37 2HG2 THR 37 -2.050 -15.890 -7.987 297 3HG2 THR 37 3HG2 THR 37 -3.099 -14.486 -8.188 298 H GLU 38 H GLU 38 -1.194 -13.324 -4.029 299 HA GLU 38 HA GLU 38 -3.410 -14.434 -2.672 300 1HB GLU 38 2HB GLU 38 -0.882 -13.003 -1.988 301 2HB GLU 38 1HB GLU 38 -2.076 -13.161 -0.700 302 1HG GLU 38 2HG GLU 38 -0.921 -15.430 -2.347 303 2HG GLU 38 1HG GLU 38 -0.549 -15.078 -0.660 304 H ILE 39 H ILE 39 -2.471 -11.030 -3.135 305 HA ILE 39 HA ILE 39 -4.392 -9.801 -1.438 306 HB ILE 39 HB ILE 39 -3.023 -9.058 -4.035 307 1HG1 ILE 39 2HG1 ILE 39 -2.692 -7.734 -1.356 308 2HG1 ILE 39 1HG1 ILE 39 -1.905 -9.280 -1.669 309 1HG2 ILE 39 1HG2 ILE 39 -4.511 -7.067 -2.328 310 2HG2 ILE 39 2HG2 ILE 39 -5.322 -7.900 -3.655 311 3HG2 ILE 39 3HG2 ILE 39 -3.922 -6.880 -3.980 312 1HD1 ILE 39 1HD1 ILE 39 -0.254 -8.157 -2.708 313 2HD1 ILE 39 2HD1 ILE 39 -1.147 -6.640 -2.580 314 3HD1 ILE 39 3HD1 ILE 39 -1.418 -7.710 -3.956 315 H LYS 40 H LYS 40 -4.634 -11.240 -4.628 316 HA LYS 40 HA LYS 40 -7.240 -10.241 -5.351 317 1HB LYS 40 2HB LYS 40 -5.412 -11.329 -6.779 318 2HB LYS 40 1HB LYS 40 -5.925 -12.871 -6.096 319 1HG LYS 40 2HG LYS 40 -8.225 -12.460 -6.918 320 2HG LYS 40 1HG LYS 40 -7.676 -10.957 -7.659 321 1HD LYS 40 2HD LYS 40 -5.987 -12.308 -8.959 322 2HD LYS 40 1HD LYS 40 -6.766 -13.765 -8.339 323 1HE LYS 40 2HE LYS 40 -8.260 -11.599 -9.857 324 2HE LYS 40 1HE LYS 40 -7.613 -13.068 -10.616 325 1HZ LYS 40 1HZ LYS 40 -9.637 -13.855 -9.981 326 2HZ LYS 40 2HZ LYS 40 -9.783 -12.781 -8.673 327 3HZ LYS 40 3HZ LYS 40 -8.794 -14.156 -8.542 328 H ASN 41 H ASN 41 -6.122 -13.282 -3.870 329 HA ASN 41 HA ASN 41 -8.775 -14.369 -3.483 330 1HB ASN 41 2HB ASN 41 -5.982 -14.983 -2.521 331 2HB ASN 41 1HB ASN 41 -7.366 -15.931 -1.974 332 1HD2 ASN 41 1HD2 ASN 41 -5.118 -15.523 -4.556 333 2HD2 ASN 41 2HD2 ASN 41 -5.859 -16.576 -5.662 334 H ALA 42 H ALA 42 -6.551 -12.493 -1.402 335 HA ALA 42 HA ALA 42 -7.863 -12.953 1.061 336 1HB ALA 42 1HB ALA 42 -5.716 -11.870 1.022 337 2HB ALA 42 2HB ALA 42 -6.856 -10.662 1.640 338 3HB ALA 42 3HB ALA 42 -6.321 -10.595 -0.044 339 H VAL 43 H VAL 43 -8.458 -10.287 -1.266 340 HA VAL 43 HA VAL 43 -10.711 -9.260 0.228 341 HB VAL 43 HB VAL 43 -11.182 -8.181 -2.072 342 1HG1 VAL 43 1HG1 VAL 43 -9.079 -7.793 -0.129 343 2HG1 VAL 43 2HG1 VAL 43 -10.021 -6.587 -1.006 344 3HG1 VAL 43 3HG1 VAL 43 -8.551 -7.250 -1.723 345 1HG2 VAL 43 1HG2 VAL 43 -8.488 -8.707 -3.000 346 2HG2 VAL 43 2HG2 VAL 43 -10.016 -8.867 -3.865 347 3HG2 VAL 43 3HG2 VAL 43 -9.410 -10.206 -2.892 348 H GLU 44 H GLU 44 -10.341 -11.706 -2.300 349 HA GLU 44 HA GLU 44 -13.159 -12.033 -2.864 350 1HB GLU 44 2HB GLU 44 -10.575 -13.244 -3.498 351 2HB GLU 44 1HB GLU 44 -11.833 -14.464 -3.305 352 1HG GLU 44 2HG GLU 44 -12.435 -12.011 -4.922 353 2HG GLU 44 1HG GLU 44 -11.467 -13.293 -5.647 354 H THR 45 H THR 45 -10.857 -13.592 -0.652 355 HA THR 45 HA THR 45 -12.854 -15.370 0.518 356 HB THR 45 HB THR 45 -9.986 -14.785 0.669 357 HG1 THR 45 1HG THR 45 -11.174 -17.244 1.204 358 1HG2 THR 45 1HG2 THR 45 -9.682 -15.961 2.831 359 2HG2 THR 45 2HG2 THR 45 -11.434 -15.956 3.052 360 3HG2 THR 45 3HG2 THR 45 -10.543 -14.435 3.029 361 H ALA 46 H ALA 46 -11.971 -12.095 0.908 362 HA ALA 46 HA ALA 46 -13.096 -12.007 3.683 363 1HB ALA 46 1HB ALA 46 -11.325 -10.109 2.111 364 2HB ALA 46 2HB ALA 46 -10.805 -11.187 3.406 365 3HB ALA 46 3HB ALA 46 -11.872 -9.830 3.764 366 H PHE 47 H PHE 47 -12.964 -9.822 0.824 367 HA PHE 47 HA PHE 47 -15.405 -8.452 1.566 368 1HB PHE 47 2HB PHE 47 -13.607 -8.600 -0.852 369 2HB PHE 47 1HB PHE 47 -15.092 -7.650 -0.893 370 HD1 PHE 47 1HD PHE 47 -11.716 -7.313 -0.433 371 HD2 PHE 47 2HD PHE 47 -15.396 -6.326 1.550 372 HE1 PHE 47 1HE PHE 47 -10.574 -5.469 0.769 373 HE2 PHE 47 2HE PHE 47 -14.254 -4.483 2.753 374 HZ PHE 47 HZ PHE 47 -11.844 -4.054 2.362 375 H LYS 48 H LYS 48 -14.695 -11.328 -0.262 376 HA LYS 48 HA LYS 48 -16.138 -12.929 -1.218 377 1HB LYS 48 2HB LYS 48 -17.612 -11.451 0.778 378 2HB LYS 48 1HB LYS 48 -18.684 -11.863 -0.562 379 1HG LYS 48 2HG LYS 48 -17.068 -14.148 -0.052 380 2HG LYS 48 1HG LYS 48 -17.673 -13.581 1.504 381 1HD LYS 48 2HD LYS 48 -19.380 -14.103 -0.948 382 2HD LYS 48 1HD LYS 48 -19.252 -15.170 0.450 383 1HE LYS 48 2HE LYS 48 -20.072 -13.281 1.898 384 2HE LYS 48 1HE LYS 48 -20.358 -12.341 0.420 385 1HZ LYS 48 1HZ LYS 48 -21.650 -14.837 1.305 386 2HZ LYS 48 2HZ LYS 48 -21.538 -14.493 -0.355 387 3HZ LYS 48 3HZ LYS 48 -22.362 -13.430 0.683 388 H VAL 49 H VAL 49 -15.209 -10.896 -2.862 389 HA VAL 49 HA VAL 49 -17.575 -10.320 -4.590 390 HB VAL 49 HB VAL 49 -16.274 -8.478 -3.237 391 1HG1 VAL 49 1HG1 VAL 49 -14.202 -7.848 -3.946 392 2HG1 VAL 49 2HG1 VAL 49 -14.565 -8.205 -5.633 393 3HG1 VAL 49 3HG1 VAL 49 -14.113 -9.508 -4.534 394 1HG2 VAL 49 1HG2 VAL 49 -16.383 -7.528 -5.964 395 2HG2 VAL 49 2HG2 VAL 49 -17.417 -7.127 -4.592 396 3HG2 VAL 49 3HG2 VAL 49 -17.767 -8.547 -5.575 397 H LYS 50 H LYS 50 -16.200 -9.415 -6.800 398 HA LYS 50 HA LYS 50 -14.558 -11.797 -7.606 399 1HB LYS 50 2HB LYS 50 -16.973 -11.238 -8.552 400 2HB LYS 50 1HB LYS 50 -16.078 -10.091 -9.552 401 1HG LYS 50 2HG LYS 50 -15.092 -12.916 -9.313 402 2HG LYS 50 1HG LYS 50 -16.429 -12.554 -10.409 403 1HD LYS 50 2HD LYS 50 -15.057 -10.850 -11.535 404 2HD LYS 50 1HD LYS 50 -13.724 -11.183 -10.429 405 1HE LYS 50 2HE LYS 50 -13.256 -12.447 -12.423 406 2HE LYS 50 1HE LYS 50 -13.870 -13.625 -11.247 407 1HZ LYS 50 1HZ LYS 50 -15.322 -14.066 -12.907 408 2HZ LYS 50 2HZ LYS 50 -15.159 -12.533 -13.621 409 3HZ LYS 50 3HZ LYS 50 -16.149 -12.737 -12.256 410 H VAL 51 H VAL 51 -12.463 -11.035 -7.530 411 HA VAL 51 HA VAL 51 -11.778 -8.268 -8.160 412 HB VAL 51 HB VAL 51 -10.274 -10.820 -7.565 413 1HG1 VAL 51 1HG1 VAL 51 -8.681 -9.714 -8.874 414 2HG1 VAL 51 2HG1 VAL 51 -8.331 -9.068 -7.271 415 3HG1 VAL 51 3HG1 VAL 51 -9.272 -8.116 -8.419 416 1HG2 VAL 51 1HG2 VAL 51 -10.889 -10.139 -5.488 417 2HG2 VAL 51 2HG2 VAL 51 -11.338 -8.530 -6.058 418 3HG2 VAL 51 3HG2 VAL 51 -9.653 -8.897 -5.686 419 H VAL 52 H VAL 52 -10.904 -7.499 -10.082 420 HA VAL 52 HA VAL 52 -10.635 -9.480 -12.315 421 HB VAL 52 HB VAL 52 -12.573 -7.920 -12.431 422 1HG1 VAL 52 1HG1 VAL 52 -10.888 -6.069 -11.365 423 2HG1 VAL 52 2HG1 VAL 52 -12.409 -5.685 -12.176 424 3HG1 VAL 52 3HG1 VAL 52 -10.884 -5.601 -13.064 425 1HG2 VAL 52 1HG2 VAL 52 -10.636 -8.453 -14.406 426 2HG2 VAL 52 2HG2 VAL 52 -11.083 -6.758 -14.599 427 3HG2 VAL 52 3HG2 VAL 52 -12.327 -8.011 -14.658 428 H LYS 53 H LYS 53 -8.974 -7.341 -10.314 429 HA LYS 53 HA LYS 53 -6.474 -7.679 -11.668 430 1HB LYS 53 2HB LYS 53 -6.348 -5.822 -13.029 431 2HB LYS 53 1HB LYS 53 -8.103 -5.975 -13.013 432 1HG LYS 53 2HG LYS 53 -8.067 -4.467 -10.962 433 2HG LYS 53 1HG LYS 53 -6.390 -4.119 -11.367 434 1HD LYS 53 2HD LYS 53 -8.557 -3.849 -13.443 435 2HD LYS 53 1HD LYS 53 -8.228 -2.538 -12.311 436 1HE LYS 53 2HE LYS 53 -6.614 -1.889 -13.782 437 2HE LYS 53 1HE LYS 53 -5.688 -3.286 -13.198 438 1HZ LYS 53 1HZ LYS 53 -7.762 -3.474 -15.311 439 2HZ LYS 53 2HZ LYS 53 -6.646 -4.668 -14.848 440 3HZ LYS 53 3HZ LYS 53 -6.114 -3.270 -15.652 441 H VAL 54 H VAL 54 -4.907 -7.320 -10.103 442 HA VAL 54 HA VAL 54 -5.646 -5.508 -7.830 443 HB VAL 54 HB VAL 54 -4.703 -8.290 -7.976 444 1HG1 VAL 54 1HG1 VAL 54 -3.277 -8.104 -5.927 445 2HG1 VAL 54 2HG1 VAL 54 -3.341 -6.346 -6.079 446 3HG1 VAL 54 3HG1 VAL 54 -2.550 -7.313 -7.326 447 1HG2 VAL 54 1HG2 VAL 54 -6.215 -8.465 -6.304 448 2HG2 VAL 54 2HG2 VAL 54 -6.609 -6.777 -6.632 449 3HG2 VAL 54 3HG2 VAL 54 -5.436 -7.180 -5.377 450 H ASN 55 H ASN 55 -4.268 -3.832 -7.516 451 HA ASN 55 HA ASN 55 -1.490 -4.064 -8.590 452 1HB ASN 55 2HB ASN 55 -3.685 -2.180 -9.200 453 2HB ASN 55 1HB ASN 55 -2.134 -1.406 -8.871 454 1HD2 ASN 55 1HD2 ASN 55 -3.862 -3.489 -11.127 455 2HD2 ASN 55 2HD2 ASN 55 -2.636 -3.549 -12.298 456 H THR 56 H THR 56 -0.182 -3.938 -6.832 457 HA THR 56 HA THR 56 -1.012 -2.110 -4.619 458 HB THR 56 HB THR 56 -0.740 -3.928 -3.296 459 HG1 THR 56 1HG THR 56 1.886 -4.217 -4.287 460 1HG2 THR 56 1HG2 THR 56 -1.268 -5.378 -5.172 461 2HG2 THR 56 2HG2 THR 56 0.016 -6.117 -4.217 462 3HG2 THR 56 3HG2 THR 56 0.403 -5.314 -5.736 463 H LEU 57 H LEU 57 0.812 -0.984 -3.532 464 HA LEU 57 HA LEU 57 3.328 -0.819 -5.123 465 1HB LEU 57 2HB LEU 57 2.945 1.736 -5.066 466 2HB LEU 57 1HB LEU 57 1.963 0.811 -6.196 467 HG LEU 57 HG LEU 57 0.725 0.931 -3.568 468 1HD1 LEU 57 1HD1 LEU 57 0.756 3.586 -4.956 469 2HD1 LEU 57 2HD1 LEU 57 2.101 3.180 -3.888 470 3HD1 LEU 57 3HD1 LEU 57 0.455 3.215 -3.258 471 1HD2 LEU 57 1HD2 LEU 57 -0.017 1.677 -6.405 472 2HD2 LEU 57 2HD2 LEU 57 -1.127 1.915 -5.055 473 3HD2 LEU 57 3HD2 LEU 57 -0.572 0.291 -5.465 474 H HIS 58 H HIS 58 5.098 -0.135 -3.874 475 HA HIS 58 HA HIS 58 4.849 -0.255 -0.987 476 1HB HIS 58 2HB HIS 58 6.835 -0.476 -2.943 477 2HB HIS 58 1HB HIS 58 7.271 0.985 -2.056 478 HD1 HIS 58 1HD HIS 58 9.207 -1.161 -1.564 479 HD2 HIS 58 2HD HIS 58 5.643 -0.997 0.595 480 HE1 HIS 58 1HE HIS 58 9.586 -2.504 0.550 481 H VAL 59 H VAL 59 3.647 1.433 -0.117 482 HA VAL 59 HA VAL 59 4.123 4.204 -1.053 483 HB VAL 59 HB VAL 59 2.214 3.755 1.151 484 1HG1 VAL 59 1HG1 VAL 59 2.488 5.728 -0.495 485 2HG1 VAL 59 2HG1 VAL 59 0.847 5.161 -0.180 486 3HG1 VAL 59 3HG1 VAL 59 1.672 4.692 -1.668 487 1HG2 VAL 59 1HG2 VAL 59 0.549 2.656 -0.486 488 2HG2 VAL 59 2HG2 VAL 59 1.769 1.602 0.227 489 3HG2 VAL 59 3HG2 VAL 59 1.963 2.184 -1.427 490 H ARG 60 H ARG 60 5.891 5.111 -0.071 491 HA ARG 60 HA ARG 60 6.279 4.596 2.852 492 1HB ARG 60 2HB ARG 60 8.311 5.588 0.845 493 2HB ARG 60 1HB ARG 60 8.616 4.855 2.421 494 1HG ARG 60 2HG ARG 60 7.557 3.509 -0.074 495 2HG ARG 60 1HG ARG 60 9.037 3.136 0.811 496 1HD ARG 60 2HD ARG 60 7.142 2.839 2.783 497 2HD ARG 60 1HD ARG 60 6.268 2.260 1.350 498 HE ARG 60 HE ARG 60 8.684 1.054 1.017 499 1HH1 ARG 60 1HH1 ARG 60 5.981 0.253 2.660 500 2HH1 ARG 60 2HH1 ARG 60 6.739 -0.729 3.869 501 1HH2 ARG 60 1HH2 ARG 60 9.955 0.276 3.048 502 2HH2 ARG 60 2HH2 ARG 60 8.989 -0.715 4.089 503 H GLY 61 H GLY 61 6.195 6.339 4.212 504 1HA GLY 61 2HA GLY 61 5.503 8.958 3.073 505 2HA GLY 61 1HA GLY 61 5.509 8.535 4.785 506 H LYS 62 H LYS 62 7.142 10.281 2.444 507 HA LYS 62 HA LYS 62 9.883 10.006 3.026 508 1HB LYS 62 2HB LYS 62 8.067 12.273 2.229 509 2HB LYS 62 1HB LYS 62 9.787 12.571 2.484 510 1HG LYS 62 2HG LYS 62 8.785 10.353 0.691 511 2HG LYS 62 1HG LYS 62 9.095 11.983 0.092 512 1HD LYS 62 2HD LYS 62 11.137 10.293 1.562 513 2HD LYS 62 1HD LYS 62 11.050 10.440 -0.193 514 1HE LYS 62 2HE LYS 62 11.103 13.044 0.349 515 2HE LYS 62 1HE LYS 62 11.898 12.479 1.832 516 1HZ LYS 62 1HZ LYS 62 12.692 11.957 -0.974 517 2HZ LYS 62 2HZ LYS 62 13.277 11.025 0.321 518 3HZ LYS 62 3HZ LYS 62 13.609 12.690 0.248 519 H LYS 63 H LYS 63 10.956 12.201 4.150 520 HA LYS 63 HA LYS 63 10.828 11.831 6.938 521 1HB LYS 63 2HB LYS 63 12.484 13.097 5.391 522 2HB LYS 63 1HB LYS 63 11.411 14.480 5.611 523 1HG LYS 63 2HG LYS 63 11.947 14.722 7.837 524 2HG LYS 63 1HG LYS 63 12.247 12.998 8.061 525 1HD LYS 63 2HD LYS 63 14.319 14.461 8.139 526 2HD LYS 63 1HD LYS 63 14.382 13.144 6.967 527 1HE LYS 63 2HE LYS 63 14.718 14.644 5.306 528 2HE LYS 63 1HE LYS 63 13.180 15.435 5.705 529 1HZ LYS 63 1HZ LYS 63 15.667 15.842 7.271 530 2HZ LYS 63 2HZ LYS 63 14.220 16.729 7.370 531 3HZ LYS 63 3HZ LYS 63 15.209 16.861 5.995 532 H LYS 64 H LYS 64 8.807 13.820 4.845 533 HA LYS 64 HA LYS 64 7.625 15.679 6.482 534 1HB LYS 64 2HB LYS 64 6.814 13.949 4.240 535 2HB LYS 64 1HB LYS 64 5.461 14.564 5.189 536 1HG LYS 64 2HG LYS 64 5.662 16.528 4.110 537 2HG LYS 64 1HG LYS 64 7.239 16.736 4.875 538 1HD LYS 64 2HD LYS 64 8.390 15.810 3.038 539 2HD LYS 64 1HD LYS 64 6.934 15.044 2.399 540 1HE LYS 64 2HE LYS 64 6.073 17.086 1.575 541 2HE LYS 64 1HE LYS 64 7.136 18.054 2.617 542 1HZ LYS 64 1HZ LYS 64 9.002 16.782 1.395 543 2HZ LYS 64 2HZ LYS 64 8.255 18.092 0.611 544 3HZ LYS 64 3HZ LYS 64 7.823 16.499 0.208 545 H ARG 65 H ARG 65 7.389 15.165 8.690 546 HA ARG 65 HA ARG 65 5.114 13.432 9.388 547 1HB ARG 65 2HB ARG 65 7.961 12.658 9.614 548 2HB ARG 65 1HB ARG 65 7.000 12.370 11.065 549 1HG ARG 65 2HG ARG 65 5.285 11.435 9.194 550 2HG ARG 65 1HG ARG 65 6.818 11.091 8.392 551 1HD ARG 65 2HD ARG 65 7.178 10.323 11.093 552 2HD ARG 65 1HD ARG 65 5.600 9.678 10.597 553 HE ARG 65 HE ARG 65 6.708 8.539 8.736 554 1HH1 ARG 65 1HH1 ARG 65 8.983 10.778 9.546 555 2HH1 ARG 65 2HH1 ARG 65 10.314 9.679 9.688 556 1HH2 ARG 65 1HH2 ARG 65 8.330 6.839 9.530 557 2HH2 ARG 65 2HH2 ARG 65 9.945 7.449 9.679 558 H LEU 66 H LEU 66 8.029 14.867 10.919 559 HA LEU 66 HA LEU 66 7.108 15.496 13.427 560 1HB LEU 66 2HB LEU 66 9.339 16.026 12.739 561 2HB LEU 66 1HB LEU 66 8.761 17.095 11.461 562 HG LEU 66 HG LEU 66 7.864 18.651 13.122 563 1HD1 LEU 66 1HD1 LEU 66 8.983 17.783 15.542 564 2HD1 LEU 66 2HD1 LEU 66 8.234 16.343 14.851 565 3HD1 LEU 66 3HD1 LEU 66 7.270 17.794 15.122 566 1HD2 LEU 66 1HD2 LEU 66 9.958 19.472 13.998 567 2HD2 LEU 66 2HD2 LEU 66 10.301 18.738 12.432 568 3HD2 LEU 66 3HD2 LEU 66 10.683 17.866 13.916 569 H GLY 67 H GLY 67 4.875 16.029 13.553 570 1HA GLY 67 2HA GLY 67 2.928 17.328 13.265 571 2HA GLY 67 1HA GLY 67 4.043 18.648 13.617 572 H ARG 68 H ARG 68 2.500 16.824 11.028 573 HA ARG 68 HA ARG 68 2.942 19.153 9.221 574 1HB ARG 68 2HB ARG 68 4.028 16.398 9.017 575 2HB ARG 68 1HB ARG 68 3.365 17.068 7.526 576 1HG ARG 68 2HG ARG 68 4.762 19.131 7.932 577 2HG ARG 68 1HG ARG 68 5.536 18.269 9.261 578 1HD ARG 68 2HD ARG 68 6.522 16.674 7.809 579 2HD ARG 68 1HD ARG 68 5.423 17.085 6.478 580 HE ARG 68 HE ARG 68 6.618 19.194 6.200 581 1HH1 ARG 68 1HH1 ARG 68 7.575 17.919 9.168 582 2HH1 ARG 68 2HH1 ARG 68 9.255 18.300 8.984 583 1HH2 ARG 68 1HH2 ARG 68 8.936 19.314 5.683 584 2HH2 ARG 68 2HH2 ARG 68 10.025 19.089 7.011 585 H TYR 69 H TYR 69 1.061 19.609 8.132 586 HA TYR 69 HA TYR 69 -1.421 18.473 8.595 587 1HB TYR 69 2HB TYR 69 -2.116 19.680 6.663 588 2HB TYR 69 1HB TYR 69 -0.706 20.553 7.262 589 HD1 TYR 69 1HD TYR 69 -2.175 19.452 4.357 590 HD2 TYR 69 2HD TYR 69 1.613 19.325 6.370 591 HE1 TYR 69 1HE TYR 69 -1.034 19.091 2.185 592 HE2 TYR 69 2HE TYR 69 2.755 18.965 4.203 593 HH TYR 69 HH TYR 69 1.243 19.460 1.224 594 H LEU 70 H LEU 70 -2.450 16.589 7.991 595 HA LEU 70 HA LEU 70 -2.596 14.370 7.161 596 1HB LEU 70 2HB LEU 70 -2.848 16.310 5.249 597 2HB LEU 70 1HB LEU 70 -1.581 15.300 4.555 598 HG LEU 70 HG LEU 70 -3.538 13.535 5.596 599 1HD1 LEU 70 1HD1 LEU 70 -4.658 16.047 4.543 600 2HD1 LEU 70 2HD1 LEU 70 -5.430 14.787 5.506 601 3HD1 LEU 70 3HD1 LEU 70 -5.290 14.599 3.757 602 1HD2 LEU 70 1HD2 LEU 70 -3.732 13.912 2.734 603 2HD2 LEU 70 2HD2 LEU 70 -3.017 12.569 3.625 604 3HD2 LEU 70 3HD2 LEU 70 -2.044 13.988 3.238 605 H GLY 71 H GLY 71 -0.118 14.937 8.390 606 1HA GLY 71 2HA GLY 71 1.985 13.817 6.646 607 2HA GLY 71 1HA GLY 71 2.218 14.401 8.295 608 H LYS 72 H LYS 72 2.789 12.752 9.618 609 HA LYS 72 HA LYS 72 2.982 10.528 10.433 610 1HB LYS 72 2HB LYS 72 0.313 11.572 10.442 611 2HB LYS 72 1HB LYS 72 0.224 9.836 10.146 612 1HG LYS 72 2HG LYS 72 1.736 11.159 12.418 613 2HG LYS 72 1HG LYS 72 0.196 10.312 12.566 614 1HD LYS 72 2HD LYS 72 1.926 8.548 11.194 615 2HD LYS 72 1HD LYS 72 2.864 9.212 12.533 616 1HE LYS 72 2HE LYS 72 0.050 8.294 13.059 617 2HE LYS 72 1HE LYS 72 1.351 7.091 12.953 618 1HZ LYS 72 1HZ LYS 72 2.645 8.506 14.497 619 2HZ LYS 72 2HZ LYS 72 1.237 7.867 15.201 620 3HZ LYS 72 3HZ LYS 72 1.281 9.491 14.703 621 H ARG 73 H ARG 73 3.815 10.437 7.852 622 HA ARG 73 HA ARG 73 2.228 8.313 6.478 623 1HB ARG 73 2HB ARG 73 4.479 10.156 5.612 624 2HB ARG 73 1HB ARG 73 3.702 8.975 4.556 625 1HG ARG 73 2HG ARG 73 1.496 10.199 5.439 626 2HG ARG 73 1HG ARG 73 2.627 11.537 5.648 627 1HD ARG 73 2HD ARG 73 2.996 10.182 3.077 628 2HD ARG 73 1HD ARG 73 1.370 10.870 3.259 629 HE ARG 73 HE ARG 73 3.746 12.534 3.959 630 1HH1 ARG 73 1HH2 ARG 73 0.825 13.465 3.904 631 2HH1 ARG 73 2HH2 ARG 73 0.792 14.343 2.411 632 1HH2 ARG 73 1HH1 ARG 73 3.761 12.986 1.241 633 2HH2 ARG 73 2HH1 ARG 73 2.455 14.072 0.904 634 HA PRO 74 HA PRO 74 5.516 5.732 8.214 635 1HB PRO 74 2HB PRO 74 4.086 3.420 8.074 636 2HB PRO 74 1HB PRO 74 3.877 4.595 9.387 637 1HG PRO 74 2HG PRO 74 2.193 4.116 6.991 638 2HG PRO 74 1HG PRO 74 1.715 4.555 8.637 639 1HD PRO 74 2HD PRO 74 1.841 6.311 6.524 640 2HD PRO 74 1HD PRO 74 1.944 6.783 8.234 641 H ASP 75 H ASP 75 5.861 3.186 7.281 642 HA ASP 75 HA ASP 75 6.269 3.531 4.343 643 1HB ASP 75 2HB ASP 75 7.967 2.782 6.586 644 2HB ASP 75 1HB ASP 75 7.967 1.527 5.346 645 H ARG 76 H ARG 76 4.221 2.580 3.870 646 HA ARG 76 HA ARG 76 4.106 -0.379 4.324 647 1HB ARG 76 2HB ARG 76 2.630 0.491 5.939 648 2HB ARG 76 1HB ARG 76 2.093 1.794 4.878 649 1HG ARG 76 2HG ARG 76 0.313 0.181 4.981 650 2HG ARG 76 1HG ARG 76 1.054 0.028 3.392 651 1HD ARG 76 2HD ARG 76 1.348 -2.175 3.841 652 2HD ARG 76 1HD ARG 76 2.527 -1.699 5.078 653 HE ARG 76 HE ARG 76 -0.399 -1.797 5.701 654 1HH1 ARG 76 1HH2 ARG 76 2.415 -1.194 7.235 655 2HH1 ARG 76 2HH2 ARG 76 2.329 -2.493 8.378 656 1HH2 ARG 76 1HH1 ARG 76 -0.313 -4.074 6.783 657 2HH2 ARG 76 2HH1 ARG 76 0.786 -4.124 8.121 658 H LYS 77 H LYS 77 2.948 -1.545 2.671 659 HA LYS 77 HA LYS 77 2.793 -0.110 0.068 660 1HB LYS 77 2HB LYS 77 2.854 -2.408 -0.841 661 2HB LYS 77 1HB LYS 77 4.189 -2.133 0.276 662 1HG LYS 77 2HG LYS 77 3.306 -3.520 1.895 663 2HG LYS 77 1HG LYS 77 1.643 -3.218 1.398 664 1HD LYS 77 2HD LYS 77 3.676 -4.908 -0.084 665 2HD LYS 77 1HD LYS 77 2.264 -5.501 0.788 666 1HE LYS 77 2HE LYS 77 1.010 -3.780 -0.846 667 2HE LYS 77 1HE LYS 77 2.418 -4.145 -1.863 668 1HZ LYS 77 1HZ LYS 77 0.315 -5.731 -1.790 669 2HZ LYS 77 2HZ LYS 77 1.155 -6.375 -0.462 670 3HZ LYS 77 3HZ LYS 77 1.887 -6.335 -1.994 671 H LYS 78 H LYS 78 0.852 0.043 -1.076 672 HA LYS 78 HA LYS 78 -1.587 -0.863 0.390 673 1HB LYS 78 2HB LYS 78 -2.679 0.989 -0.813 674 2HB LYS 78 1HB LYS 78 -1.243 1.569 0.031 675 1HG LYS 78 2HG LYS 78 0.038 1.627 -1.977 676 2HG LYS 78 1HG LYS 78 -1.167 0.688 -2.859 677 1HD LYS 78 2HD LYS 78 -1.477 2.961 -3.541 678 2HD LYS 78 1HD LYS 78 -2.790 2.607 -2.418 679 1HE LYS 78 2HE LYS 78 -1.617 3.722 -0.600 680 2HE LYS 78 1HE LYS 78 -0.187 3.960 -1.624 681 1HZ LYS 78 1HZ LYS 78 -1.682 5.916 -1.582 682 2HZ LYS 78 2HZ LYS 78 -2.906 4.966 -2.278 683 3HZ LYS 78 3HZ LYS 78 -1.474 5.275 -3.138 684 H ALA 79 H ALA 79 -3.302 -1.899 -0.845 685 HA ALA 79 HA ALA 79 -2.381 -3.022 -3.471 686 1HB ALA 79 1HB ALA 79 -2.955 -4.324 -1.164 687 2HB ALA 79 2HB ALA 79 -3.125 -5.044 -2.770 688 3HB ALA 79 3HB ALA 79 -4.533 -4.336 -1.959 689 H ILE 80 H ILE 80 -3.532 -2.327 -5.194 690 HA ILE 80 HA ILE 80 -6.290 -1.296 -4.741 691 HB ILE 80 HB ILE 80 -4.174 -0.927 -6.862 692 1HG1 ILE 80 2HG1 ILE 80 -4.380 1.411 -6.221 693 2HG1 ILE 80 1HG1 ILE 80 -5.729 1.040 -5.156 694 1HG2 ILE 80 1HG2 ILE 80 -7.127 -0.359 -6.960 695 2HG2 ILE 80 2HG2 ILE 80 -6.094 -1.054 -8.209 696 3HG2 ILE 80 3HG2 ILE 80 -5.994 0.668 -7.840 697 1HD1 ILE 80 1HD1 ILE 80 -3.110 -0.367 -4.759 698 2HD1 ILE 80 2HD1 ILE 80 -4.369 0.002 -3.580 699 3HD1 ILE 80 3HD1 ILE 80 -3.305 1.282 -4.162 700 H VAL 81 H VAL 81 -7.790 -2.865 -5.067 701 HA VAL 81 HA VAL 81 -7.292 -4.885 -7.224 702 HB VAL 81 HB VAL 81 -9.117 -4.987 -4.804 703 1HG1 VAL 81 1HG1 VAL 81 -9.920 -6.807 -5.869 704 2HG1 VAL 81 2HG1 VAL 81 -8.346 -7.556 -5.594 705 3HG1 VAL 81 3HG1 VAL 81 -8.668 -6.711 -7.109 706 1HG2 VAL 81 1HG2 VAL 81 -6.217 -5.485 -5.159 707 2HG2 VAL 81 2HG2 VAL 81 -7.098 -6.742 -4.290 708 3HG2 VAL 81 3HG2 VAL 81 -7.118 -5.080 -3.699 709 H GLN 82 H GLN 82 -8.651 -4.808 -8.983 710 HA GLN 82 HA GLN 82 -11.054 -3.048 -8.828 711 1HB GLN 82 2HB GLN 82 -9.194 -3.007 -10.654 712 2HB GLN 82 1HB GLN 82 -9.939 -4.479 -11.238 713 1HG GLN 82 2HG GLN 82 -11.374 -3.192 -12.383 714 2HG GLN 82 1HG GLN 82 -12.087 -2.776 -10.827 715 1HE2 GLN 82 1HE2 GLN 82 -12.562 -0.575 -11.634 716 2HE2 GLN 82 2HE2 GLN 82 -11.320 0.571 -11.792 717 H VAL 83 H VAL 83 -13.111 -3.938 -9.512 718 HA VAL 83 HA VAL 83 -13.120 -6.918 -9.476 719 HB VAL 83 HB VAL 83 -15.123 -6.876 -8.261 720 1HG1 VAL 83 1HG1 VAL 83 -14.647 -5.607 -6.320 721 2HG1 VAL 83 2HG1 VAL 83 -13.885 -4.315 -7.248 722 3HG1 VAL 83 3HG1 VAL 83 -13.068 -5.866 -7.060 723 1HG2 VAL 83 1HG2 VAL 83 -16.571 -4.902 -8.069 724 2HG2 VAL 83 2HG2 VAL 83 -16.283 -5.296 -9.769 725 3HG2 VAL 83 3HG2 VAL 83 -15.418 -3.949 -9.011 726 H ALA 84 H ALA 84 -14.725 -7.892 -10.875 727 HA ALA 84 HA ALA 84 -14.852 -6.627 -13.463 728 1HB ALA 84 1HB ALA 84 -15.050 -8.832 -13.839 729 2HB ALA 84 2HB ALA 84 -16.726 -8.710 -13.292 730 3HB ALA 84 3HB ALA 84 -15.453 -9.127 -12.145 731 HA PRO 85 HA PRO 85 -18.748 -4.625 -13.379 732 1HB PRO 85 2HB PRO 85 -20.086 -5.618 -15.551 733 2HB PRO 85 1HB PRO 85 -18.704 -4.527 -15.688 734 1HG PRO 85 2HG PRO 85 -18.829 -7.439 -16.052 735 2HG PRO 85 1HG PRO 85 -17.869 -6.241 -16.913 736 1HD PRO 85 2HD PRO 85 -16.868 -7.887 -14.954 737 2HD PRO 85 1HD PRO 85 -16.173 -6.317 -15.384 738 H GLY 86 H GLY 86 -20.700 -4.871 -12.317 739 1HA GLY 86 2HA GLY 86 -22.789 -6.154 -11.970 740 2HA GLY 86 1HA GLY 86 -21.836 -7.629 -12.125 741 H GLN 87 H GLN 87 -19.632 -6.525 -10.451 742 HA GLN 87 HA GLN 87 -20.991 -6.845 -7.798 743 1HB GLN 87 2HB GLN 87 -18.623 -7.603 -7.156 744 2HB GLN 87 1HB GLN 87 -19.505 -8.657 -8.258 745 1HG GLN 87 2HG GLN 87 -17.977 -6.537 -9.609 746 2HG GLN 87 1HG GLN 87 -16.976 -7.676 -8.713 747 1HE2 GLN 87 1HE2 GLN 87 -20.075 -8.739 -10.022 748 2HE2 GLN 87 2HE2 GLN 87 -19.428 -9.713 -11.250 749 H LYS 88 H LYS 88 -19.503 -5.846 -5.990 750 HA LYS 88 HA LYS 88 -17.843 -3.579 -6.540 751 1HB LYS 88 2HB LYS 88 -19.549 -1.812 -6.016 752 2HB LYS 88 1HB LYS 88 -19.894 -2.679 -7.513 753 1HG LYS 88 2HG LYS 88 -21.278 -4.264 -5.916 754 2HG LYS 88 1HG LYS 88 -21.290 -2.846 -4.866 755 1HD LYS 88 2HD LYS 88 -23.232 -2.577 -6.178 756 2HD LYS 88 1HD LYS 88 -22.045 -1.545 -6.975 757 1HE LYS 88 2HE LYS 88 -21.620 -3.211 -8.675 758 2HE LYS 88 1HE LYS 88 -22.596 -4.414 -7.806 759 1HZ LYS 88 1HZ LYS 88 -24.207 -3.591 -9.153 760 2HZ LYS 88 2HZ LYS 88 -23.456 -2.077 -9.332 761 3HZ LYS 88 3HZ LYS 88 -24.330 -2.434 -7.919 762 H ILE 89 H ILE 89 -16.684 -4.319 -4.697 763 HA ILE 89 HA ILE 89 -17.595 -5.215 -2.236 764 HB ILE 89 HB ILE 89 -15.333 -3.267 -2.797 765 1HG1 ILE 89 2HG1 ILE 89 -15.547 -6.287 -2.933 766 2HG1 ILE 89 1HG1 ILE 89 -15.104 -5.185 -4.235 767 1HG2 ILE 89 1HG2 ILE 89 -14.834 -3.438 -0.610 768 2HG2 ILE 89 2HG2 ILE 89 -14.754 -5.193 -0.761 769 3HG2 ILE 89 3HG2 ILE 89 -16.283 -4.411 -0.360 770 1HD1 ILE 89 1HD1 ILE 89 -13.484 -6.068 -1.869 771 2HD1 ILE 89 2HD1 ILE 89 -13.176 -4.481 -2.574 772 3HD1 ILE 89 3HD1 ILE 89 -13.006 -5.933 -3.561 773 H GLU 90 H GLU 90 -19.524 -4.199 -1.528 774 HA GLU 90 HA GLU 90 -19.903 -1.350 -1.352 775 1HB GLU 90 2HB GLU 90 -21.839 -2.063 0.056 776 2HB GLU 90 1HB GLU 90 -21.718 -2.996 -1.436 777 1HG GLU 90 2HG GLU 90 -20.140 -4.458 0.278 778 2HG GLU 90 1HG GLU 90 -21.413 -3.879 1.354 779 H ALA 91 H ALA 91 -18.070 -3.534 0.572 780 HA ALA 91 HA ALA 91 -18.311 -2.503 3.186 781 1HB ALA 91 1HB ALA 91 -16.152 -3.775 1.534 782 2HB ALA 91 2HB ALA 91 -16.995 -4.413 2.946 783 3HB ALA 91 3HB ALA 91 -15.748 -3.182 3.145 784 H LEU 92 H LEU 92 -16.682 -1.140 0.374 785 HA LEU 92 HA LEU 92 -15.603 1.085 2.064 786 1HB LEU 92 2HB LEU 92 -14.953 0.853 -0.834 787 2HB LEU 92 1HB LEU 92 -13.893 1.228 0.521 788 HG LEU 92 HG LEU 92 -14.957 -1.503 -0.236 789 1HD1 LEU 92 1HD1 LEU 92 -12.986 -1.830 -1.302 790 2HD1 LEU 92 2HD1 LEU 92 -12.069 -1.118 0.025 791 3HD1 LEU 92 3HD1 LEU 92 -12.774 -0.081 -1.214 792 1HD2 LEU 92 1HD2 LEU 92 -14.727 -1.902 1.993 793 2HD2 LEU 92 2HD2 LEU 92 -13.823 -0.411 2.253 794 3HD2 LEU 92 3HD2 LEU 92 -12.994 -1.853 1.670 795 H GLU 93 H GLU 93 -17.904 0.271 -0.414 796 HA GLU 93 HA GLU 93 -18.349 2.686 -1.733 797 1HB GLU 93 2HB GLU 93 -20.135 0.456 -0.769 798 2HB GLU 93 1HB GLU 93 -20.791 1.795 -1.713 799 1HG GLU 93 2HG GLU 93 -18.514 -0.020 -2.563 800 2HG GLU 93 1HG GLU 93 -20.163 -0.074 -3.188 801 H GLY 94 H GLY 94 -19.278 1.776 1.554 802 1HA GLY 94 2HA GLY 94 -20.729 4.349 1.882 803 2HA GLY 94 1HA GLY 94 -20.764 3.003 3.022 804 H LEU 95 H LEU 95 -17.774 2.721 2.804 805 HA LEU 95 HA LEU 95 -16.893 4.009 5.083 806 1HB LEU 95 2HB LEU 95 -15.752 2.846 2.662 807 2HB LEU 95 1HB LEU 95 -14.722 4.118 3.322 808 HG LEU 95 HG LEU 95 -14.610 3.036 5.461 809 1HD1 LEU 95 1HD1 LEU 95 -17.100 1.885 4.583 810 2HD1 LEU 95 2HD1 LEU 95 -16.401 1.893 6.203 811 3HD1 LEU 95 3HD1 LEU 95 -16.002 0.595 5.077 812 1HD2 LEU 95 1HD2 LEU 95 -13.305 1.211 4.871 813 2HD2 LEU 95 2HD2 LEU 95 -13.416 2.020 3.309 814 3HD2 LEU 95 3HD2 LEU 95 -14.460 0.645 3.664 815 H ILE 96 H ILE 96 -17.441 5.458 1.933 816 HA ILE 96 HA ILE 96 -15.907 7.816 2.090 817 HB ILE 96 HB ILE 96 -18.659 7.203 0.979 818 1HG1 ILE 96 2HG1 ILE 96 -16.137 7.693 -0.586 819 2HG1 ILE 96 1HG1 ILE 96 -16.405 6.119 0.166 820 1HG2 ILE 96 1HG2 ILE 96 -16.987 9.703 0.854 821 2HG2 ILE 96 2HG2 ILE 96 -18.724 9.545 1.115 822 3HG2 ILE 96 3HG2 ILE 96 -18.046 9.276 -0.490 823 1HD1 ILE 96 1HD1 ILE 96 -17.597 7.214 -2.234 824 2HD1 ILE 96 2HD1 ILE 96 -18.847 6.788 -1.065 825 3HD1 ILE 96 3HD1 ILE 96 -17.690 5.570 -1.600 Start of MODEL 11 1 1H MET 1 1HT MET 1 -4.262 -17.221 7.483 2 2H MET 1 2HT MET 1 -4.085 -18.655 6.588 3 3H MET 1 3HT MET 1 -4.895 -18.676 8.081 4 HA MET 1 HA MET 1 -6.334 -18.713 5.976 5 1HB MET 1 2HB MET 1 -6.763 -18.090 8.519 6 2HB MET 1 1HB MET 1 -6.946 -16.458 7.866 7 1HG MET 1 2HG MET 1 -8.884 -16.964 6.766 8 2HG MET 1 1HG MET 1 -8.373 -18.614 6.404 9 1HE MET 1 1HE MET 1 -9.527 -20.249 6.980 10 2HE MET 1 2HE MET 1 -10.336 -20.661 8.490 11 3HE MET 1 3HE MET 1 -8.577 -20.710 8.400 12 H LYS 2 H LYS 2 -4.846 -17.651 4.209 13 HA LYS 2 HA LYS 2 -4.608 -14.818 4.101 14 1HB LYS 2 2HB LYS 2 -4.143 -15.180 1.718 15 2HB LYS 2 1HB LYS 2 -3.329 -16.383 2.705 16 1HG LYS 2 2HG LYS 2 -5.746 -17.602 2.267 17 2HG LYS 2 1HG LYS 2 -5.504 -16.737 0.750 18 1HD LYS 2 2HD LYS 2 -4.279 -18.585 0.201 19 2HD LYS 2 1HD LYS 2 -3.017 -17.761 1.117 20 1HE LYS 2 2HE LYS 2 -4.637 -19.131 3.017 21 2HE LYS 2 1HE LYS 2 -4.271 -20.278 1.712 22 1HZ LYS 2 1HZ LYS 2 -2.475 -20.194 3.353 23 2HZ LYS 2 2HZ LYS 2 -2.286 -18.529 3.069 24 3HZ LYS 2 3HZ LYS 2 -1.950 -19.648 1.835 25 H THR 3 H THR 3 -6.532 -13.966 4.758 26 HA THR 3 HA THR 3 -8.788 -14.083 2.777 27 HB THR 3 HB THR 3 -9.058 -15.469 4.831 28 HG1 THR 3 1HG THR 3 -10.696 -13.170 4.619 29 1HG2 THR 3 1HG2 THR 3 -9.165 -14.431 6.999 30 2HG2 THR 3 2HG2 THR 3 -8.991 -12.827 6.285 31 3HG2 THR 3 3HG2 THR 3 -7.641 -13.966 6.240 32 H ALA 4 H ALA 4 -6.885 -12.307 5.036 33 HA ALA 4 HA ALA 4 -7.426 -9.730 3.904 34 1HB ALA 4 1HB ALA 4 -9.110 -10.789 6.140 35 2HB ALA 4 2HB ALA 4 -9.580 -9.800 4.753 36 3HB ALA 4 3HB ALA 4 -8.734 -9.062 6.116 37 H TYR 5 H TYR 5 -6.451 -11.681 6.618 38 HA TYR 5 HA TYR 5 -5.065 -10.140 8.416 39 1HB TYR 5 2HB TYR 5 -3.830 -12.181 8.734 40 2HB TYR 5 1HB TYR 5 -5.403 -12.665 8.099 41 HD1 TYR 5 1HD TYR 5 -2.674 -14.195 7.885 42 HD2 TYR 5 2HD TYR 5 -4.763 -11.569 5.194 43 HE1 TYR 5 1HE TYR 5 -1.528 -15.234 5.945 44 HE2 TYR 5 2HE TYR 5 -3.649 -12.604 3.276 45 HH TYR 5 HH TYR 5 -0.923 -14.466 3.536 46 H ASP 6 H ASP 6 -2.370 -11.372 7.737 47 HA ASP 6 HA ASP 6 -0.551 -9.556 7.192 48 1HB ASP 6 2HB ASP 6 -1.078 -12.187 5.796 49 2HB ASP 6 1HB ASP 6 0.430 -11.296 5.544 50 H VAL 7 H VAL 7 -2.097 -11.059 4.357 51 HA VAL 7 HA VAL 7 -1.138 -9.245 2.428 52 HB VAL 7 HB VAL 7 -3.721 -10.841 2.472 53 1HG1 VAL 7 1HG1 VAL 7 -4.014 -10.043 0.394 54 2HG1 VAL 7 2HG1 VAL 7 -2.489 -10.794 -0.074 55 3HG1 VAL 7 3HG1 VAL 7 -2.510 -9.126 0.505 56 1HG2 VAL 7 1HG2 VAL 7 -1.150 -11.752 1.216 57 2HG2 VAL 7 2HG2 VAL 7 -2.510 -12.713 1.800 58 3HG2 VAL 7 3HG2 VAL 7 -1.388 -11.979 2.949 59 H ILE 8 H ILE 8 -4.485 -9.127 2.033 60 HA ILE 8 HA ILE 8 -4.499 -6.213 2.363 61 HB ILE 8 HB ILE 8 -6.706 -8.126 1.565 62 1HG1 ILE 8 2HG1 ILE 8 -5.005 -6.822 -0.503 63 2HG1 ILE 8 1HG1 ILE 8 -4.297 -8.194 0.346 64 1HG2 ILE 8 1HG2 ILE 8 -7.595 -6.250 0.364 65 2HG2 ILE 8 2HG2 ILE 8 -6.109 -5.320 0.581 66 3HG2 ILE 8 3HG2 ILE 8 -7.164 -5.641 1.963 67 1HD1 ILE 8 1HD1 ILE 8 -6.238 -8.234 -1.744 68 2HD1 ILE 8 2HD1 ILE 8 -7.004 -8.849 -0.280 69 3HD1 ILE 8 3HD1 ILE 8 -5.532 -9.603 -0.888 70 H LEU 9 H LEU 9 -4.620 -5.715 4.594 71 HA LEU 9 HA LEU 9 -6.641 -7.094 6.270 72 1HB LEU 9 2HB LEU 9 -5.577 -5.437 8.003 73 2HB LEU 9 1HB LEU 9 -4.637 -6.813 7.435 74 HG LEU 9 HG LEU 9 -4.397 -4.357 5.795 75 1HD1 LEU 9 1HD1 LEU 9 -2.782 -4.398 8.305 76 2HD1 LEU 9 2HD1 LEU 9 -4.441 -3.807 8.409 77 3HD1 LEU 9 3HD1 LEU 9 -3.293 -3.027 7.321 78 1HD2 LEU 9 1HD2 LEU 9 -3.075 -6.402 5.379 79 2HD2 LEU 9 2HD2 LEU 9 -2.419 -6.313 7.013 80 3HD2 LEU 9 3HD2 LEU 9 -2.022 -5.063 5.836 81 H ALA 10 H ALA 10 -5.908 -3.631 6.548 82 HA ALA 10 HA ALA 10 -8.837 -3.106 6.268 83 1HB ALA 10 1HB ALA 10 -6.808 -2.418 8.150 84 2HB ALA 10 2HB ALA 10 -8.508 -1.952 8.180 85 3HB ALA 10 3HB ALA 10 -7.327 -0.925 7.367 86 HA PRO 11 HA PRO 11 -7.924 -0.865 2.572 87 1HB PRO 11 2HB PRO 11 -10.276 0.519 2.386 88 2HB PRO 11 1HB PRO 11 -10.139 -1.207 1.998 89 1HG PRO 11 2HG PRO 11 -11.187 0.103 4.454 90 2HG PRO 11 1HG PRO 11 -11.760 -1.346 3.614 91 1HD PRO 11 2HD PRO 11 -10.251 -1.409 5.893 92 2HD PRO 11 1HD PRO 11 -10.275 -2.713 4.686 93 H VAL 12 H VAL 12 -7.924 1.525 1.855 94 HA VAL 12 HA VAL 12 -7.324 3.265 4.225 95 HB VAL 12 HB VAL 12 -5.552 4.176 2.963 96 1HG1 VAL 12 1HG1 VAL 12 -4.236 2.334 2.741 97 2HG1 VAL 12 2HG1 VAL 12 -5.331 1.579 1.583 98 3HG1 VAL 12 3HG1 VAL 12 -5.657 1.459 3.311 99 1HG2 VAL 12 1HG2 VAL 12 -5.359 3.963 0.527 100 2HG2 VAL 12 2HG2 VAL 12 -6.928 4.653 0.946 101 3HG2 VAL 12 3HG2 VAL 12 -6.805 2.955 0.485 102 H LEU 13 H LEU 13 -8.491 5.158 4.390 103 HA LEU 13 HA LEU 13 -10.362 5.814 2.157 104 1HB LEU 13 2HB LEU 13 -10.244 6.469 5.113 105 2HB LEU 13 1HB LEU 13 -11.431 7.177 4.019 106 HG LEU 13 HG LEU 13 -12.495 5.271 4.999 107 1HD1 LEU 13 1HD1 LEU 13 -12.287 5.564 2.330 108 2HD1 LEU 13 2HD1 LEU 13 -13.204 4.248 3.066 109 3HD1 LEU 13 3HD1 LEU 13 -11.560 3.963 2.491 110 1HD2 LEU 13 1HD2 LEU 13 -10.085 4.311 5.558 111 2HD2 LEU 13 2HD2 LEU 13 -10.341 3.406 4.066 112 3HD2 LEU 13 3HD2 LEU 13 -11.469 3.227 5.411 113 H SER 14 H SER 14 -9.504 7.336 0.794 114 HA SER 14 HA SER 14 -8.563 9.894 1.908 115 1HB SER 14 2HB SER 14 -6.752 8.084 0.278 116 2HB SER 14 1HB SER 14 -6.343 9.697 0.856 117 HG SER 14 HG SER 14 -5.543 8.178 2.296 118 H GLU 15 H GLU 15 -8.742 11.557 0.353 119 HA GLU 15 HA GLU 15 -10.552 11.450 -1.726 120 1HB GLU 15 2HB GLU 15 -7.977 13.018 -1.412 121 2HB GLU 15 1HB GLU 15 -9.171 13.387 -2.659 122 1HG GLU 15 2HG GLU 15 -10.897 13.544 -0.800 123 2HG GLU 15 1HG GLU 15 -9.556 13.471 0.342 124 H LYS 16 H LYS 16 -7.007 11.075 -2.164 125 HA LYS 16 HA LYS 16 -6.995 10.463 -4.902 126 1HB LYS 16 2HB LYS 16 -4.977 10.906 -3.665 127 2HB LYS 16 1HB LYS 16 -5.283 9.549 -2.578 128 1HG LYS 16 2HG LYS 16 -3.632 8.803 -4.153 129 2HG LYS 16 1HG LYS 16 -5.151 8.035 -4.614 130 1HD LYS 16 2HD LYS 16 -4.377 8.849 -6.667 131 2HD LYS 16 1HD LYS 16 -5.451 10.145 -6.138 132 1HE LYS 16 2HE LYS 16 -3.275 11.108 -5.002 133 2HE LYS 16 1HE LYS 16 -2.446 10.090 -6.196 134 1HZ LYS 16 1HZ LYS 16 -3.933 11.058 -7.903 135 2HZ LYS 16 2HZ LYS 16 -2.894 12.204 -7.199 136 3HZ LYS 16 3HZ LYS 16 -4.529 12.138 -6.739 137 H ALA 17 H ALA 17 -7.865 8.451 -2.154 138 HA ALA 17 HA ALA 17 -7.875 5.964 -3.742 139 1HB ALA 17 1HB ALA 17 -9.172 5.569 -1.295 140 2HB ALA 17 2HB ALA 17 -7.993 6.836 -0.958 141 3HB ALA 17 3HB ALA 17 -7.461 5.289 -1.617 142 H TYR 18 H TYR 18 -10.337 7.837 -1.919 143 HA TYR 18 HA TYR 18 -12.632 6.464 -2.791 144 1HB TYR 18 2HB TYR 18 -11.923 9.169 -1.785 145 2HB TYR 18 1HB TYR 18 -13.508 9.016 -2.544 146 HD1 TYR 18 1HD TYR 18 -14.263 6.261 -1.895 147 HD2 TYR 18 2HD TYR 18 -12.335 9.228 0.536 148 HE1 TYR 18 1HE TYR 18 -15.139 5.154 0.150 149 HE2 TYR 18 2HE TYR 18 -13.211 8.127 2.579 150 HH TYR 18 HH TYR 18 -15.340 5.277 2.359 151 H ALA 19 H ALA 19 -10.622 8.757 -4.519 152 HA ALA 19 HA ALA 19 -12.606 9.087 -6.683 153 1HB ALA 19 1HB ALA 19 -11.120 10.921 -5.801 154 2HB ALA 19 2HB ALA 19 -10.952 10.665 -7.539 155 3HB ALA 19 3HB ALA 19 -9.732 10.035 -6.433 156 H GLY 20 H GLY 20 -10.010 7.012 -5.838 157 1HA GLY 20 2HA GLY 20 -9.607 6.147 -8.664 158 2HA GLY 20 1HA GLY 20 -8.549 5.730 -7.313 159 H PHE 21 H PHE 21 -10.648 5.068 -5.477 160 HA PHE 21 HA PHE 21 -11.172 2.324 -6.315 161 1HB PHE 21 2HB PHE 21 -10.958 2.258 -4.054 162 2HB PHE 21 1HB PHE 21 -11.146 3.999 -3.932 163 HD1 PHE 21 1HD PHE 21 -13.379 1.122 -4.891 164 HD2 PHE 21 2HD PHE 21 -12.833 4.635 -2.484 165 HE1 PHE 21 1HE PHE 21 -15.647 0.818 -3.931 166 HE2 PHE 21 2HE PHE 21 -15.098 4.332 -1.525 167 HZ PHE 21 HZ PHE 21 -16.507 2.424 -2.248 168 H ALA 22 H ALA 22 -12.839 5.359 -6.345 169 HA ALA 22 HA ALA 22 -15.533 4.694 -6.301 170 1HB ALA 22 1HB ALA 22 -15.626 6.880 -6.862 171 2HB ALA 22 2HB ALA 22 -14.872 6.562 -8.424 172 3HB ALA 22 3HB ALA 22 -13.868 6.833 -6.999 173 H GLU 23 H GLU 23 -13.150 3.842 -8.682 174 HA GLU 23 HA GLU 23 -15.190 3.144 -10.724 175 1HB GLU 23 2HB GLU 23 -12.701 4.214 -10.849 176 2HB GLU 23 1HB GLU 23 -12.306 2.509 -11.053 177 1HG GLU 23 2HG GLU 23 -14.629 3.384 -12.632 178 2HG GLU 23 1HG GLU 23 -13.120 4.179 -13.083 179 H GLY 24 H GLY 24 -14.399 1.657 -8.000 180 1HA GLY 24 2HA GLY 24 -15.015 -0.639 -7.572 181 2HA GLY 24 1HA GLY 24 -14.553 -1.014 -9.225 182 H LYS 25 H LYS 25 -12.202 0.996 -8.148 183 HA LYS 25 HA LYS 25 -10.290 -1.202 -7.765 184 1HB LYS 25 2HB LYS 25 -10.115 1.831 -7.751 185 2HB LYS 25 1HB LYS 25 -8.710 0.774 -7.639 186 1HG LYS 25 2HG LYS 25 -9.737 -0.333 -9.798 187 2HG LYS 25 1HG LYS 25 -10.568 1.214 -9.954 188 1HD LYS 25 2HD LYS 25 -8.654 2.341 -10.464 189 2HD LYS 25 1HD LYS 25 -7.683 1.401 -9.331 190 1HE LYS 25 2HE LYS 25 -7.980 -0.561 -11.010 191 2HE LYS 25 1HE LYS 25 -8.458 0.700 -12.164 192 1HZ LYS 25 1HZ LYS 25 -6.046 0.321 -12.170 193 2HZ LYS 25 2HZ LYS 25 -5.978 0.743 -10.526 194 3HZ LYS 25 3HZ LYS 25 -6.437 1.898 -11.684 195 H TYR 26 H TYR 26 -9.167 -1.620 -5.762 196 HA TYR 26 HA TYR 26 -10.295 -0.182 -3.388 197 1HB TYR 26 2HB TYR 26 -9.668 -3.124 -3.725 198 2HB TYR 26 1HB TYR 26 -10.301 -2.377 -2.259 199 HD1 TYR 26 1HD TYR 26 -12.164 -0.374 -3.491 200 HD2 TYR 26 2HD TYR 26 -11.487 -4.519 -4.385 201 HE1 TYR 26 1HE TYR 26 -14.467 -0.556 -4.389 202 HE2 TYR 26 2HE TYR 26 -13.791 -4.700 -5.280 203 HH TYR 26 HH TYR 26 -15.631 -3.577 -5.861 204 H THR 27 H THR 27 -8.567 1.074 -2.815 205 HA THR 27 HA THR 27 -5.815 0.161 -2.842 206 HB THR 27 HB THR 27 -6.960 2.498 -1.312 207 HG1 THR 27 1HG THR 27 -7.876 2.925 -3.183 208 1HG2 THR 27 1HG2 THR 27 -4.355 1.574 -2.088 209 2HG2 THR 27 2HG2 THR 27 -4.778 2.984 -1.114 210 3HG2 THR 27 3HG2 THR 27 -4.673 3.123 -2.869 211 H PHE 28 H PHE 28 -4.939 -1.099 -1.219 212 HA PHE 28 HA PHE 28 -6.329 -1.071 1.440 213 1HB PHE 28 2HB PHE 28 -6.028 -3.116 -0.544 214 2HB PHE 28 1HB PHE 28 -5.147 -3.604 0.905 215 HD1 PHE 28 1HD PHE 28 -8.348 -3.405 -0.635 216 HD2 PHE 28 2HD PHE 28 -6.371 -3.266 3.176 217 HE1 PHE 28 1HE PHE 28 -10.493 -3.937 0.496 218 HE2 PHE 28 2HE PHE 28 -8.519 -3.793 4.305 219 HZ PHE 28 HZ PHE 28 -10.575 -4.132 2.968 220 H TRP 29 H TRP 29 -4.965 -1.925 3.207 221 HA TRP 29 HA TRP 29 -2.107 -1.106 2.926 222 1HB TRP 29 2HB TRP 29 -4.154 -1.303 5.135 223 2HB TRP 29 1HB TRP 29 -2.443 -1.402 5.550 224 HD1 TRP 29 HD TRP 29 -5.053 1.047 5.302 225 HE1 TRP 29 1HE TRP 29 -4.123 3.423 4.946 226 HE3 TRP 29 3HE TRP 29 -0.258 -0.074 3.946 227 HZ2 TRP 29 2HZ TRP 29 -1.670 4.684 4.187 228 HZ3 TRP 29 3HZ TRP 29 1.353 1.734 3.415 229 HH2 TRP 29 HH TRP 29 0.653 4.109 3.534 230 H VAL 30 H VAL 30 -0.721 -2.886 2.713 231 HA VAL 30 HA VAL 30 -1.576 -5.399 4.048 232 HB VAL 30 HB VAL 30 -2.537 -5.606 1.931 233 1HG1 VAL 30 1HG1 VAL 30 -1.622 -3.628 0.865 234 2HG1 VAL 30 2HG1 VAL 30 -1.283 -5.014 -0.172 235 3HG1 VAL 30 3HG1 VAL 30 -0.008 -4.339 0.841 236 1HG2 VAL 30 1HG2 VAL 30 -0.695 -7.346 2.610 237 2HG2 VAL 30 2HG2 VAL 30 0.110 -6.713 1.177 238 3HG2 VAL 30 3HG2 VAL 30 -1.497 -7.430 1.046 239 H HIS 31 H HIS 31 0.100 -6.973 4.216 240 HA HIS 31 HA HIS 31 2.631 -5.992 5.041 241 1HB HIS 31 2HB HIS 31 1.180 -8.298 5.213 242 2HB HIS 31 1HB HIS 31 2.444 -8.788 4.085 243 HD1 HIS 31 1HD HIS 31 4.057 -10.065 5.531 244 HD2 HIS 31 2HD HIS 31 2.924 -6.452 7.276 245 HE1 HIS 31 1HE HIS 31 5.480 -9.794 7.609 246 HA PRO 32 HA PRO 32 4.867 -5.642 1.265 247 1HB PRO 32 2HB PRO 32 7.400 -6.010 2.222 248 2HB PRO 32 1HB PRO 32 6.469 -4.530 2.505 249 1HG PRO 32 2HG PRO 32 6.945 -6.831 4.324 250 2HG PRO 32 1HG PRO 32 6.891 -5.099 4.687 251 1HD PRO 32 2HD PRO 32 4.829 -6.810 5.191 252 2HD PRO 32 1HD PRO 32 4.612 -5.075 4.872 253 H LYS 33 H LYS 33 3.762 -7.899 0.847 254 HA LYS 33 HA LYS 33 5.720 -9.720 -0.194 255 1HB LYS 33 2HB LYS 33 5.114 -11.552 1.553 256 2HB LYS 33 1HB LYS 33 6.250 -10.294 2.042 257 1HG LYS 33 2HG LYS 33 4.870 -9.690 3.710 258 2HG LYS 33 1HG LYS 33 3.601 -9.333 2.547 259 1HD LYS 33 2HD LYS 33 3.744 -12.159 2.752 260 2HD LYS 33 1HD LYS 33 3.765 -11.528 4.398 261 1HE LYS 33 2HE LYS 33 1.665 -10.517 4.181 262 2HE LYS 33 1HE LYS 33 1.786 -10.424 2.412 263 1HZ LYS 33 1HZ LYS 33 1.043 -12.679 4.100 264 2HZ LYS 33 2HZ LYS 33 2.044 -13.038 2.774 265 3HZ LYS 33 3HZ LYS 33 0.538 -12.291 2.528 266 H ALA 34 H ALA 34 2.445 -9.258 1.073 267 HA ALA 34 HA ALA 34 0.996 -11.383 0.087 268 1HB ALA 34 1HB ALA 34 -0.326 -8.951 -0.679 269 2HB ALA 34 2HB ALA 34 0.574 -8.658 0.809 270 3HB ALA 34 3HB ALA 34 -0.621 -9.953 0.741 271 H THR 35 H THR 35 1.944 -12.266 -1.853 272 HA THR 35 HA THR 35 2.696 -10.930 -4.197 273 HB THR 35 HB THR 35 1.597 -13.265 -5.111 274 HG1 THR 35 1HG THR 35 1.148 -14.540 -3.510 275 1HG2 THR 35 1HG2 THR 35 3.798 -14.271 -4.596 276 2HG2 THR 35 2HG2 THR 35 4.139 -12.936 -3.494 277 3HG2 THR 35 3HG2 THR 35 3.965 -12.631 -5.223 278 H LYS 36 H LYS 36 1.581 -10.069 -5.950 279 HA LYS 36 HA LYS 36 -0.926 -8.931 -5.800 280 1HB LYS 36 2HB LYS 36 0.613 -10.160 -8.093 281 2HB LYS 36 1HB LYS 36 -0.892 -9.279 -8.363 282 1HG LYS 36 2HG LYS 36 0.498 -7.585 -6.681 283 2HG LYS 36 1HG LYS 36 1.776 -8.251 -7.698 284 1HD LYS 36 2HD LYS 36 0.978 -7.249 -9.592 285 2HD LYS 36 1HD LYS 36 -0.707 -7.445 -9.108 286 1HE LYS 36 2HE LYS 36 -0.661 -5.517 -7.729 287 2HE LYS 36 1HE LYS 36 1.113 -5.484 -7.694 288 1HZ LYS 36 1HZ LYS 36 0.401 -3.885 -9.294 289 2HZ LYS 36 2HZ LYS 36 -0.643 -4.999 -10.040 290 3HZ LYS 36 3HZ LYS 36 1.040 -5.203 -10.150 291 H THR 37 H THR 37 -0.213 -12.253 -6.906 292 HA THR 37 HA THR 37 -2.902 -13.000 -7.536 293 HB THR 37 HB THR 37 -0.939 -14.920 -6.437 294 HG1 THR 37 1HG THR 37 -0.606 -13.392 -8.790 295 1HG2 THR 37 1HG2 THR 37 -2.733 -14.804 -8.856 296 2HG2 THR 37 2HG2 THR 37 -2.932 -15.814 -7.423 297 3HG2 THR 37 3HG2 THR 37 -1.606 -16.125 -8.544 298 H GLU 38 H GLU 38 -0.954 -13.684 -4.617 299 HA GLU 38 HA GLU 38 -2.968 -14.931 -3.076 300 1HB GLU 38 2HB GLU 38 -0.389 -13.561 -2.688 301 2HB GLU 38 1HB GLU 38 -1.433 -13.513 -1.268 302 1HG GLU 38 2HG GLU 38 -1.190 -16.120 -2.697 303 2HG GLU 38 1HG GLU 38 0.195 -15.586 -1.745 304 H ILE 39 H ILE 39 -2.190 -11.474 -3.459 305 HA ILE 39 HA ILE 39 -3.989 -10.405 -1.538 306 HB ILE 39 HB ILE 39 -2.848 -9.488 -4.184 307 1HG1 ILE 39 2HG1 ILE 39 -2.422 -8.658 -1.295 308 2HG1 ILE 39 1HG1 ILE 39 -1.330 -9.654 -2.257 309 1HG2 ILE 39 1HG2 ILE 39 -3.780 -7.294 -3.855 310 2HG2 ILE 39 2HG2 ILE 39 -4.453 -7.752 -2.291 311 3HG2 ILE 39 3HG2 ILE 39 -5.119 -8.437 -3.773 312 1HD1 ILE 39 1HD1 ILE 39 -1.595 -7.511 -3.902 313 2HD1 ILE 39 2HD1 ILE 39 -0.322 -7.649 -2.689 314 3HD1 ILE 39 3HD1 ILE 39 -1.782 -6.725 -2.335 315 H LYS 40 H LYS 40 -4.486 -11.648 -4.787 316 HA LYS 40 HA LYS 40 -7.132 -10.673 -5.278 317 1HB LYS 40 2HB LYS 40 -5.462 -11.771 -6.849 318 2HB LYS 40 1HB LYS 40 -5.881 -13.310 -6.102 319 1HG LYS 40 2HG LYS 40 -8.207 -13.060 -6.762 320 2HG LYS 40 1HG LYS 40 -7.883 -11.453 -7.415 321 1HD LYS 40 2HD LYS 40 -5.987 -13.118 -8.640 322 2HD LYS 40 1HD LYS 40 -7.484 -14.050 -8.657 323 1HE LYS 40 2HE LYS 40 -8.542 -12.577 -10.078 324 2HE LYS 40 1HE LYS 40 -7.689 -11.169 -9.414 325 1HZ LYS 40 1HZ LYS 40 -6.042 -13.201 -10.689 326 2HZ LYS 40 2HZ LYS 40 -5.896 -11.508 -10.721 327 3HZ LYS 40 3HZ LYS 40 -7.021 -12.285 -11.729 328 H ASN 41 H ASN 41 -5.923 -13.641 -3.758 329 HA ASN 41 HA ASN 41 -8.506 -14.827 -3.282 330 1HB ASN 41 2HB ASN 41 -5.755 -15.228 -2.078 331 2HB ASN 41 1HB ASN 41 -7.117 -16.320 -1.818 332 1HD2 ASN 41 1HD2 ASN 41 -4.783 -15.183 -4.226 333 2HD2 ASN 41 2HD2 ASN 41 -5.136 -16.371 -5.387 334 H ALA 42 H ALA 42 -6.279 -12.998 -1.107 335 HA ALA 42 HA ALA 42 -7.787 -13.294 1.274 336 1HB ALA 42 1HB ALA 42 -5.510 -12.380 1.167 337 2HB ALA 42 2HB ALA 42 -6.584 -11.215 1.955 338 3HB ALA 42 3HB ALA 42 -6.102 -10.976 0.274 339 H VAL 43 H VAL 43 -7.962 -10.561 -1.068 340 HA VAL 43 HA VAL 43 -10.098 -9.205 0.232 341 HB VAL 43 HB VAL 43 -8.465 -8.873 -1.983 342 1HG1 VAL 43 1HG1 VAL 43 -11.332 -9.205 -2.907 343 2HG1 VAL 43 2HG1 VAL 43 -9.913 -10.068 -3.502 344 3HG1 VAL 43 3HG1 VAL 43 -10.102 -8.345 -3.831 345 1HG2 VAL 43 1HG2 VAL 43 -9.327 -6.670 -2.019 346 2HG2 VAL 43 2HG2 VAL 43 -9.592 -7.213 -0.362 347 3HG2 VAL 43 3HG2 VAL 43 -10.930 -7.200 -1.511 348 H GLU 44 H GLU 44 -10.124 -11.807 -2.190 349 HA GLU 44 HA GLU 44 -12.943 -11.840 -2.694 350 1HB GLU 44 2HB GLU 44 -10.544 -13.406 -3.217 351 2HB GLU 44 1HB GLU 44 -11.940 -14.449 -2.944 352 1HG GLU 44 2HG GLU 44 -12.424 -12.091 -4.679 353 2HG GLU 44 1HG GLU 44 -11.366 -13.332 -5.351 354 H THR 45 H THR 45 -10.960 -13.318 -0.152 355 HA THR 45 HA THR 45 -12.882 -15.161 0.884 356 HB THR 45 HB THR 45 -11.410 -15.188 2.797 357 HG1 THR 45 1HG THR 45 -10.317 -12.763 1.837 358 1HG2 THR 45 1HG2 THR 45 -9.728 -16.047 1.576 359 2HG2 THR 45 2HG2 THR 45 -9.237 -14.439 1.047 360 3HG2 THR 45 3HG2 THR 45 -10.462 -15.328 0.142 361 H ALA 46 H ALA 46 -12.156 -11.787 1.854 362 HA ALA 46 HA ALA 46 -14.421 -11.758 3.736 363 1HB ALA 46 1HB ALA 46 -13.174 -9.202 3.162 364 2HB ALA 46 2HB ALA 46 -11.951 -10.453 3.388 365 3HB ALA 46 3HB ALA 46 -13.137 -10.142 4.654 366 H PHE 47 H PHE 47 -13.504 -9.886 0.812 367 HA PHE 47 HA PHE 47 -16.063 -8.551 0.617 368 1HB PHE 47 2HB PHE 47 -13.762 -9.022 -1.297 369 2HB PHE 47 1HB PHE 47 -15.108 -7.932 -1.634 370 HD1 PHE 47 1HD PHE 47 -11.899 -8.237 -0.099 371 HD2 PHE 47 2HD PHE 47 -15.629 -6.123 0.166 372 HE1 PHE 47 1HE PHE 47 -10.794 -6.449 1.219 373 HE2 PHE 47 2HE PHE 47 -14.523 -4.337 1.482 374 HZ PHE 47 HZ PHE 47 -12.110 -4.499 2.008 375 H LYS 48 H LYS 48 -14.877 -11.642 -0.435 376 HA LYS 48 HA LYS 48 -15.841 -13.316 -1.797 377 1HB LYS 48 2HB LYS 48 -18.302 -11.974 -0.626 378 2HB LYS 48 1HB LYS 48 -18.224 -13.627 -1.238 379 1HG LYS 48 2HG LYS 48 -17.228 -14.401 0.645 380 2HG LYS 48 1HG LYS 48 -16.143 -13.013 0.742 381 1HD LYS 48 2HD LYS 48 -17.688 -13.070 2.669 382 2HD LYS 48 1HD LYS 48 -17.964 -11.641 1.673 383 1HE LYS 48 2HE LYS 48 -19.770 -13.031 0.464 384 2HE LYS 48 1HE LYS 48 -19.639 -14.156 1.831 385 1HZ LYS 48 1HZ LYS 48 -21.149 -12.683 2.677 386 2HZ LYS 48 2HZ LYS 48 -20.534 -11.362 1.803 387 3HZ LYS 48 3HZ LYS 48 -19.717 -11.928 3.181 388 H VAL 49 H VAL 49 -15.181 -10.983 -3.210 389 HA VAL 49 HA VAL 49 -17.452 -10.705 -5.133 390 HB VAL 49 HB VAL 49 -16.149 -8.823 -3.620 391 1HG1 VAL 49 1HG1 VAL 49 -15.048 -8.253 -6.336 392 2HG1 VAL 49 2HG1 VAL 49 -14.147 -9.341 -5.279 393 3HG1 VAL 49 3HG1 VAL 49 -14.494 -7.694 -4.759 394 1HG2 VAL 49 1HG2 VAL 49 -17.059 -7.227 -5.460 395 2HG2 VAL 49 2HG2 VAL 49 -18.182 -8.265 -4.581 396 3HG2 VAL 49 3HG2 VAL 49 -17.653 -8.712 -6.201 397 H LYS 50 H LYS 50 -15.955 -9.593 -7.223 398 HA LYS 50 HA LYS 50 -14.152 -11.876 -7.958 399 1HB LYS 50 2HB LYS 50 -16.402 -11.463 -9.168 400 2HB LYS 50 1HB LYS 50 -15.613 -10.048 -9.871 401 1HG LYS 50 2HG LYS 50 -14.429 -12.831 -9.997 402 2HG LYS 50 1HG LYS 50 -15.448 -12.155 -11.273 403 1HD LYS 50 2HD LYS 50 -13.685 -10.116 -10.926 404 2HD LYS 50 1HD LYS 50 -12.656 -11.493 -10.529 405 1HE LYS 50 2HE LYS 50 -14.046 -12.341 -12.801 406 2HE LYS 50 1HE LYS 50 -13.648 -10.644 -13.138 407 1HZ LYS 50 1HZ LYS 50 -11.653 -11.561 -13.657 408 2HZ LYS 50 2HZ LYS 50 -11.866 -12.903 -12.636 409 3HZ LYS 50 3HZ LYS 50 -11.404 -11.403 -11.986 410 H VAL 51 H VAL 51 -12.085 -11.104 -7.638 411 HA VAL 51 HA VAL 51 -11.393 -8.295 -8.043 412 HB VAL 51 HB VAL 51 -9.945 -10.871 -7.412 413 1HG1 VAL 51 1HG1 VAL 51 -7.904 -9.457 -7.073 414 2HG1 VAL 51 2HG1 VAL 51 -8.755 -8.110 -7.828 415 3HG1 VAL 51 3HG1 VAL 51 -8.395 -9.561 -8.764 416 1HG2 VAL 51 1HG2 VAL 51 -9.475 -8.845 -5.511 417 2HG2 VAL 51 2HG2 VAL 51 -10.550 -10.232 -5.332 418 3HG2 VAL 51 3HG2 VAL 51 -11.181 -8.699 -5.936 419 H VAL 52 H VAL 52 -11.071 -7.472 -10.067 420 HA VAL 52 HA VAL 52 -10.286 -9.347 -12.253 421 HB VAL 52 HB VAL 52 -12.407 -7.939 -12.299 422 1HG1 VAL 52 1HG1 VAL 52 -10.901 -5.917 -11.398 423 2HG1 VAL 52 2HG1 VAL 52 -12.324 -5.642 -12.401 424 3HG1 VAL 52 3HG1 VAL 52 -10.717 -5.626 -13.124 425 1HG2 VAL 52 1HG2 VAL 52 -10.909 -6.925 -14.589 426 2HG2 VAL 52 2HG2 VAL 52 -12.272 -8.051 -14.546 427 3HG2 VAL 52 3HG2 VAL 52 -10.625 -8.640 -14.293 428 H LYS 53 H LYS 53 -8.681 -7.493 -10.138 429 HA LYS 53 HA LYS 53 -6.259 -7.315 -11.551 430 1HB LYS 53 2HB LYS 53 -8.271 -5.362 -12.328 431 2HB LYS 53 1HB LYS 53 -6.809 -4.572 -11.741 432 1HG LYS 53 2HG LYS 53 -5.806 -6.614 -13.311 433 2HG LYS 53 1HG LYS 53 -7.237 -6.099 -14.206 434 1HD LYS 53 2HD LYS 53 -5.626 -3.876 -13.140 435 2HD LYS 53 1HD LYS 53 -4.789 -4.859 -14.341 436 1HE LYS 53 2HE LYS 53 -7.438 -4.476 -15.309 437 2HE LYS 53 1HE LYS 53 -6.834 -2.891 -14.787 438 1HZ LYS 53 1HZ LYS 53 -4.992 -4.667 -16.206 439 2HZ LYS 53 2HZ LYS 53 -5.081 -2.970 -16.215 440 3HZ LYS 53 3HZ LYS 53 -6.185 -3.887 -17.123 441 H VAL 54 H VAL 54 -4.945 -7.256 -9.781 442 HA VAL 54 HA VAL 54 -5.653 -5.362 -7.569 443 HB VAL 54 HB VAL 54 -4.832 -8.182 -7.699 444 1HG1 VAL 54 1HG1 VAL 54 -3.401 -6.298 -5.798 445 2HG1 VAL 54 2HG1 VAL 54 -2.656 -7.377 -6.980 446 3HG1 VAL 54 3HG1 VAL 54 -3.481 -8.046 -5.572 447 1HG2 VAL 54 1HG2 VAL 54 -6.232 -8.335 -5.881 448 2HG2 VAL 54 2HG2 VAL 54 -6.810 -6.799 -6.525 449 3HG2 VAL 54 3HG2 VAL 54 -5.661 -6.815 -5.185 450 H ASN 55 H ASN 55 -4.320 -3.598 -7.627 451 HA ASN 55 HA ASN 55 -1.487 -4.029 -8.503 452 1HB ASN 55 2HB ASN 55 -3.297 -1.598 -8.718 453 2HB ASN 55 1HB ASN 55 -1.626 -1.669 -9.280 454 1HD2 ASN 55 1HD2 ASN 55 -4.515 -1.592 -10.639 455 2HD2 ASN 55 2HD2 ASN 55 -4.345 -2.730 -11.886 456 H THR 56 H THR 56 -0.180 -3.948 -6.732 457 HA THR 56 HA THR 56 -0.956 -2.076 -4.534 458 HB THR 56 HB THR 56 -0.775 -3.913 -3.223 459 HG1 THR 56 1HG THR 56 1.281 -3.237 -2.787 460 1HG2 THR 56 1HG2 THR 56 -1.256 -5.363 -5.102 461 2HG2 THR 56 2HG2 THR 56 0.003 -6.110 -4.119 462 3HG2 THR 56 3HG2 THR 56 0.428 -5.306 -5.630 463 H LEU 57 H LEU 57 0.916 -1.088 -3.370 464 HA LEU 57 HA LEU 57 3.482 -0.993 -4.846 465 1HB LEU 57 2HB LEU 57 3.170 1.561 -4.965 466 2HB LEU 57 1HB LEU 57 2.205 0.602 -6.084 467 HG LEU 57 HG LEU 57 0.950 1.041 -3.449 468 1HD1 LEU 57 1HD1 LEU 57 0.452 3.347 -3.730 469 2HD1 LEU 57 2HD1 LEU 57 1.072 3.361 -5.380 470 3HD1 LEU 57 3HD1 LEU 57 2.186 3.225 -4.021 471 1HD2 LEU 57 1HD2 LEU 57 -0.733 1.905 -5.472 472 2HD2 LEU 57 2HD2 LEU 57 -0.669 0.262 -4.835 473 3HD2 LEU 57 3HD2 LEU 57 0.252 0.685 -6.278 474 H HIS 58 H HIS 58 5.169 -0.013 -3.562 475 HA HIS 58 HA HIS 58 4.888 -0.287 -0.711 476 1HB HIS 58 2HB HIS 58 6.914 -0.129 -2.567 477 2HB HIS 58 1HB HIS 58 7.055 1.426 -1.747 478 HD1 HIS 58 1HD HIS 58 8.743 -1.489 -1.501 479 HD2 HIS 58 2HD HIS 58 6.412 0.483 1.341 480 HE1 HIS 58 1HE HIS 58 9.510 -2.326 0.762 481 H VAL 59 H VAL 59 4.169 1.205 0.759 482 HA VAL 59 HA VAL 59 3.802 4.030 -0.181 483 HB VAL 59 HB VAL 59 2.142 3.592 2.030 484 1HG1 VAL 59 1HG1 VAL 59 0.384 3.953 0.477 485 2HG1 VAL 59 2HG1 VAL 59 1.286 3.205 -0.840 486 3HG1 VAL 59 3HG1 VAL 59 1.776 4.780 -0.220 487 1HG2 VAL 59 1HG2 VAL 59 0.852 1.551 1.356 488 2HG2 VAL 59 2HG2 VAL 59 2.476 1.176 1.934 489 3HG2 VAL 59 3HG2 VAL 59 2.131 1.165 0.205 490 H ARG 60 H ARG 60 4.986 5.530 0.926 491 HA ARG 60 HA ARG 60 6.242 4.701 3.512 492 1HB ARG 60 2HB ARG 60 6.929 6.567 1.250 493 2HB ARG 60 1HB ARG 60 7.688 6.780 2.828 494 1HG ARG 60 2HG ARG 60 8.944 5.292 1.165 495 2HG ARG 60 1HG ARG 60 8.662 4.604 2.764 496 1HD ARG 60 2HD ARG 60 6.928 3.186 1.978 497 2HD ARG 60 1HD ARG 60 6.734 4.121 0.482 498 HE ARG 60 HE ARG 60 8.749 2.077 0.940 499 1HH1 ARG 60 1HH2 ARG 60 7.384 3.387 -1.606 500 2HH1 ARG 60 2HH2 ARG 60 8.813 3.901 -2.441 501 1HH2 ARG 60 1HH1 ARG 60 10.893 3.463 0.298 502 2HH2 ARG 60 2HH1 ARG 60 10.799 3.944 -1.364 503 H GLY 61 H GLY 61 5.404 5.639 5.331 504 1HA GLY 61 2HA GLY 61 3.558 7.922 5.073 505 2HA GLY 61 1HA GLY 61 3.883 7.013 6.551 506 H LYS 62 H LYS 62 3.861 9.671 6.894 507 HA LYS 62 HA LYS 62 6.158 11.212 6.367 508 1HB LYS 62 2HB LYS 62 4.085 12.043 7.382 509 2HB LYS 62 1HB LYS 62 4.382 11.073 8.826 510 1HG LYS 62 2HG LYS 62 5.417 12.915 9.640 511 2HG LYS 62 1HG LYS 62 6.741 12.482 8.558 512 1HD LYS 62 2HD LYS 62 6.408 14.544 7.664 513 2HD LYS 62 1HD LYS 62 5.039 13.789 6.847 514 1HE LYS 62 2HE LYS 62 4.758 14.969 9.621 515 2HE LYS 62 1HE LYS 62 4.525 15.946 8.159 516 1HZ LYS 62 1HZ LYS 62 3.094 13.456 8.907 517 2HZ LYS 62 2HZ LYS 62 3.011 14.150 7.359 518 3HZ LYS 62 3HZ LYS 62 2.427 15.003 8.708 519 H LYS 63 H LYS 63 5.568 8.962 9.086 520 HA LYS 63 HA LYS 63 7.808 9.308 10.668 521 1HB LYS 63 2HB LYS 63 5.825 7.550 10.584 522 2HB LYS 63 1HB LYS 63 7.040 6.539 9.799 523 1HG LYS 63 2HG LYS 63 7.272 6.042 12.103 524 2HG LYS 63 1HG LYS 63 8.579 7.179 11.768 525 1HD LYS 63 2HD LYS 63 7.752 8.606 13.296 526 2HD LYS 63 1HD LYS 63 6.223 8.674 12.420 527 1HE LYS 63 2HE LYS 63 5.198 7.209 13.852 528 2HE LYS 63 1HE LYS 63 6.654 6.207 14.013 529 1HZ LYS 63 1HZ LYS 63 6.597 8.950 15.093 530 2HZ LYS 63 2HZ LYS 63 7.590 7.647 15.543 531 3HZ LYS 63 3HZ LYS 63 5.953 7.669 15.998 532 H LYS 64 H LYS 64 9.877 7.989 10.692 533 HA LYS 64 HA LYS 64 10.956 6.661 8.449 534 1HB LYS 64 2HB LYS 64 12.384 8.654 7.634 535 2HB LYS 64 1HB LYS 64 10.680 8.662 7.183 536 1HG LYS 64 2HG LYS 64 10.213 10.090 9.193 537 2HG LYS 64 1HG LYS 64 11.951 10.177 9.479 538 1HD LYS 64 2HD LYS 64 11.751 10.837 6.804 539 2HD LYS 64 1HD LYS 64 10.316 11.593 7.496 540 1HE LYS 64 2HE LYS 64 11.650 12.812 9.112 541 2HE LYS 64 1HE LYS 64 13.114 11.929 8.633 542 1HZ LYS 64 1HZ LYS 64 11.582 13.212 6.508 543 2HZ LYS 64 2HZ LYS 64 13.263 13.029 6.674 544 3HZ LYS 64 3HZ LYS 64 12.448 14.242 7.541 545 H ARG 65 H ARG 65 11.877 5.515 10.278 546 HA ARG 65 HA ARG 65 14.412 6.710 11.233 547 1HB ARG 65 2HB ARG 65 13.677 6.100 13.618 548 2HB ARG 65 1HB ARG 65 12.885 7.500 12.898 549 1HG ARG 65 2HG ARG 65 11.123 6.219 13.850 550 2HG ARG 65 1HG ARG 65 11.056 5.868 12.124 551 1HD ARG 65 2HD ARG 65 11.660 3.682 12.424 552 2HD ARG 65 1HD ARG 65 12.834 4.086 13.694 553 HE ARG 65 HE ARG 65 11.082 3.969 15.310 554 1HH1 ARG 65 1HH1 ARG 65 10.121 1.858 13.244 555 2HH1 ARG 65 2HH1 ARG 65 8.436 2.252 13.168 556 1HH2 ARG 65 1HH2 ARG 65 8.815 5.332 14.715 557 2HH2 ARG 65 2HH2 ARG 65 7.696 4.219 14.000 558 H LEU 66 H LEU 66 14.851 4.738 13.263 559 HA LEU 66 HA LEU 66 15.447 2.463 13.549 560 1HB LEU 66 2HB LEU 66 13.048 2.447 12.245 561 2HB LEU 66 1HB LEU 66 14.064 1.619 11.066 562 HG LEU 66 HG LEU 66 14.894 0.355 13.288 563 1HD1 LEU 66 1HD1 LEU 66 12.488 1.783 14.058 564 2HD1 LEU 66 2HD1 LEU 66 13.588 0.836 15.061 565 3HD1 LEU 66 3HD1 LEU 66 12.261 0.041 14.213 566 1HD2 LEU 66 1HD2 LEU 66 13.419 -1.465 12.651 567 2HD2 LEU 66 2HD2 LEU 66 13.907 -0.616 11.184 568 3HD2 LEU 66 3HD2 LEU 66 12.305 -0.342 11.870 569 H GLY 67 H GLY 67 17.511 1.885 13.029 570 1HA GLY 67 2HA GLY 67 19.483 1.615 11.795 571 2HA GLY 67 1HA GLY 67 18.413 1.115 10.487 572 H ARG 68 H ARG 68 19.830 3.979 12.034 573 HA ARG 68 HA ARG 68 19.010 6.062 10.431 574 1HB ARG 68 2HB ARG 68 20.987 7.124 11.146 575 2HB ARG 68 1HB ARG 68 20.792 5.838 12.337 576 1HG ARG 68 2HG ARG 68 22.328 4.405 11.016 577 2HG ARG 68 1HG ARG 68 22.551 5.727 9.870 578 1HD ARG 68 2HD ARG 68 24.169 6.592 11.197 579 2HD ARG 68 1HD ARG 68 22.999 6.745 12.522 580 HE ARG 68 HE ARG 68 24.933 4.586 12.210 581 1HH1 ARG 68 1HH1 ARG 68 24.061 5.561 14.866 582 2HH1 ARG 68 2HH1 ARG 68 23.009 4.298 15.411 583 1HH2 ARG 68 1HH2 ARG 68 22.606 2.910 12.260 584 2HH2 ARG 68 2HH2 ARG 68 22.186 2.797 13.936 585 H TYR 69 H TYR 69 19.181 6.593 8.287 586 HA TYR 69 HA TYR 69 21.341 5.576 6.587 587 1HB TYR 69 2HB TYR 69 19.928 3.630 6.660 588 2HB TYR 69 1HB TYR 69 18.478 4.611 6.443 589 HD1 TYR 69 1HD TYR 69 21.755 3.910 4.747 590 HD2 TYR 69 2HD TYR 69 17.576 4.797 4.297 591 HE1 TYR 69 1HE TYR 69 21.972 3.681 2.288 592 HE2 TYR 69 2HE TYR 69 17.793 4.567 1.837 593 HH TYR 69 HH TYR 69 19.216 4.324 0.133 594 H LEU 70 H LEU 70 20.949 8.190 6.964 595 HA LEU 70 HA LEU 70 20.244 10.238 5.993 596 1HB LEU 70 2HB LEU 70 21.538 8.492 4.248 597 2HB LEU 70 1HB LEU 70 20.158 9.080 3.322 598 HG LEU 70 HG LEU 70 22.027 10.596 2.966 599 1HD1 LEU 70 1HD1 LEU 70 19.966 11.737 4.878 600 2HD1 LEU 70 2HD1 LEU 70 19.820 11.637 3.123 601 3HD1 LEU 70 3HD1 LEU 70 21.024 12.701 3.849 602 1HD2 LEU 70 1HD2 LEU 70 22.246 10.315 5.927 603 2HD2 LEU 70 2HD2 LEU 70 22.643 11.892 5.245 604 3HD2 LEU 70 3HD2 LEU 70 23.520 10.456 4.715 605 H GLY 71 H GLY 71 18.101 8.640 6.893 606 1HA GLY 71 2HA GLY 71 15.743 9.457 6.590 607 2HA GLY 71 1HA GLY 71 16.000 9.262 4.855 608 H LYS 72 H LYS 72 15.257 7.614 7.828 609 HA LYS 72 HA LYS 72 15.386 4.943 6.548 610 1HB LYS 72 2HB LYS 72 14.419 5.699 9.315 611 2HB LYS 72 1HB LYS 72 15.082 4.152 8.786 612 1HG LYS 72 2HG LYS 72 17.014 4.975 9.684 613 2HG LYS 72 1HG LYS 72 17.136 5.810 8.134 614 1HD LYS 72 2HD LYS 72 17.078 7.770 9.235 615 2HD LYS 72 1HD LYS 72 15.435 7.389 9.752 616 1HE LYS 72 2HE LYS 72 16.134 7.071 11.883 617 2HE LYS 72 1HE LYS 72 17.367 5.913 11.346 618 1HZ LYS 72 1HZ LYS 72 18.539 7.751 12.224 619 2HZ LYS 72 2HZ LYS 72 17.558 8.873 11.408 620 3HZ LYS 72 3HZ LYS 72 18.647 7.901 10.538 621 H ARG 73 H ARG 73 13.490 3.583 6.414 622 HA ARG 73 HA ARG 73 10.833 4.807 6.879 623 1HB ARG 73 2HB ARG 73 12.226 4.636 4.311 624 2HB ARG 73 1HB ARG 73 10.652 3.839 4.268 625 1HG ARG 73 2HG ARG 73 9.560 5.812 4.324 626 2HG ARG 73 1HG ARG 73 10.523 6.376 5.691 627 1HD ARG 73 2HD ARG 73 11.686 7.738 4.309 628 2HD ARG 73 1HD ARG 73 12.196 6.334 3.349 629 HE ARG 73 HE ARG 73 9.569 6.718 2.577 630 1HH1 ARG 73 1HH1 ARG 73 12.580 8.353 2.432 631 2HH1 ARG 73 2HH1 ARG 73 12.048 9.528 1.277 632 1HH2 ARG 73 1HH2 ARG 73 8.774 8.385 1.228 633 2HH2 ARG 73 2HH2 ARG 73 9.893 9.546 0.594 634 HA PRO 74 HA PRO 74 10.080 0.541 7.738 635 1HB PRO 74 2HB PRO 74 7.355 0.617 7.833 636 2HB PRO 74 1HB PRO 74 8.379 1.272 9.126 637 1HG PRO 74 2HG PRO 74 6.963 2.691 6.931 638 2HG PRO 74 1HG PRO 74 7.184 3.166 8.622 639 1HD PRO 74 2HD PRO 74 8.656 4.195 6.566 640 2HD PRO 74 1HD PRO 74 9.256 4.068 8.235 641 H ASP 75 H ASP 75 8.059 -1.021 6.820 642 HA ASP 75 HA ASP 75 8.303 -0.855 3.847 643 1HB ASP 75 2HB ASP 75 8.630 -2.989 5.876 644 2HB ASP 75 1HB ASP 75 7.746 -3.467 4.427 645 H ARG 76 H ARG 76 6.331 0.353 3.691 646 HA ARG 76 HA ARG 76 3.851 -1.057 4.586 647 1HB ARG 76 2HB ARG 76 4.786 1.707 4.332 648 2HB ARG 76 1HB ARG 76 3.181 1.468 3.639 649 1HG ARG 76 2HG ARG 76 3.153 2.053 6.088 650 2HG ARG 76 1HG ARG 76 2.364 0.518 5.713 651 1HD ARG 76 2HD ARG 76 4.410 -0.707 6.349 652 2HD ARG 76 1HD ARG 76 5.217 0.831 6.717 653 HE ARG 76 HE ARG 76 3.362 -0.484 8.458 654 1HH1 ARG 76 1HH1 ARG 76 1.649 1.798 7.593 655 2HH1 ARG 76 2HH1 ARG 76 2.097 3.042 8.712 656 1HH2 ARG 76 1HH2 ARG 76 5.021 1.466 9.707 657 2HH2 ARG 76 2HH2 ARG 76 4.006 2.855 9.908 658 H LYS 77 H LYS 77 2.645 -2.061 3.024 659 HA LYS 77 HA LYS 77 3.162 -1.314 0.164 660 1HB LYS 77 2HB LYS 77 3.965 -3.538 0.850 661 2HB LYS 77 1HB LYS 77 2.358 -3.944 1.450 662 1HG LYS 77 2HG LYS 77 1.421 -3.921 -0.740 663 2HG LYS 77 1HG LYS 77 2.841 -3.124 -1.419 664 1HD LYS 77 2HD LYS 77 4.183 -5.076 -1.176 665 2HD LYS 77 1HD LYS 77 3.002 -5.847 -0.117 666 1HE LYS 77 2HE LYS 77 1.390 -5.626 -2.183 667 2HE LYS 77 1HE LYS 77 2.900 -5.481 -3.104 668 1HZ LYS 77 1HZ LYS 77 2.044 -7.825 -2.666 669 2HZ LYS 77 2HZ LYS 77 2.524 -7.582 -1.055 670 3HZ LYS 77 3HZ LYS 77 3.672 -7.521 -2.306 671 H LYS 78 H LYS 78 1.409 -0.531 -0.925 672 HA LYS 78 HA LYS 78 -1.277 -0.753 0.347 673 1HB LYS 78 2HB LYS 78 0.244 1.220 -1.158 674 2HB LYS 78 1HB LYS 78 -1.348 0.965 -1.874 675 1HG LYS 78 2HG LYS 78 -1.714 1.038 0.942 676 2HG LYS 78 1HG LYS 78 -0.677 2.403 0.522 677 1HD LYS 78 2HD LYS 78 -2.646 2.332 -1.482 678 2HD LYS 78 1HD LYS 78 -3.511 2.051 0.029 679 1HE LYS 78 2HE LYS 78 -3.454 4.333 0.219 680 2HE LYS 78 1HE LYS 78 -1.774 4.078 0.737 681 1HZ LYS 78 1HZ LYS 78 -1.258 3.990 -1.737 682 2HZ LYS 78 2HZ LYS 78 -1.603 5.518 -1.080 683 3HZ LYS 78 3HZ LYS 78 -2.785 4.689 -1.977 684 H ALA 79 H ALA 79 -3.094 -1.522 -0.961 685 HA ALA 79 HA ALA 79 -2.285 -2.909 -3.497 686 1HB ALA 79 1HB ALA 79 -3.106 -4.863 -2.703 687 2HB ALA 79 2HB ALA 79 -4.460 -4.058 -1.894 688 3HB ALA 79 3HB ALA 79 -2.870 -4.103 -1.124 689 H ILE 80 H ILE 80 -3.565 -2.465 -5.221 690 HA ILE 80 HA ILE 80 -6.201 -1.150 -4.695 691 HB ILE 80 HB ILE 80 -4.147 -0.981 -6.903 692 1HG1 ILE 80 2HG1 ILE 80 -4.276 1.400 -6.394 693 2HG1 ILE 80 1HG1 ILE 80 -5.594 1.121 -5.263 694 1HG2 ILE 80 1HG2 ILE 80 -6.014 0.669 -7.834 695 2HG2 ILE 80 2HG2 ILE 80 -7.089 -0.445 -6.988 696 3HG2 ILE 80 3HG2 ILE 80 -6.024 -1.042 -8.261 697 1HD1 ILE 80 1HD1 ILE 80 -3.023 -0.364 -4.874 698 2HD1 ILE 80 2HD1 ILE 80 -4.207 0.158 -3.676 699 3HD1 ILE 80 3HD1 ILE 80 -3.103 1.331 -4.394 700 H VAL 81 H VAL 81 -7.766 -2.687 -4.851 701 HA VAL 81 HA VAL 81 -7.448 -4.885 -6.859 702 HB VAL 81 HB VAL 81 -9.511 -4.713 -4.664 703 1HG1 VAL 81 1HG1 VAL 81 -8.794 -6.616 -6.624 704 2HG1 VAL 81 2HG1 VAL 81 -9.931 -6.829 -5.292 705 3HG1 VAL 81 3HG1 VAL 81 -8.236 -7.265 -5.082 706 1HG2 VAL 81 1HG2 VAL 81 -7.369 -6.240 -3.687 707 2HG2 VAL 81 2HG2 VAL 81 -7.869 -4.649 -3.109 708 3HG2 VAL 81 3HG2 VAL 81 -6.617 -4.786 -4.346 709 H GLN 82 H GLN 82 -8.860 -4.980 -8.614 710 HA GLN 82 HA GLN 82 -11.162 -3.054 -8.587 711 1HB GLN 82 2HB GLN 82 -9.484 -2.448 -10.199 712 2HB GLN 82 1HB GLN 82 -9.322 -4.103 -10.758 713 1HG GLN 82 2HG GLN 82 -10.706 -3.290 -12.413 714 2HG GLN 82 1HG GLN 82 -11.934 -3.780 -11.249 715 1HE2 GLN 82 1HE2 GLN 82 -12.951 -2.072 -9.937 716 2HE2 GLN 82 2HE2 GLN 82 -12.858 -0.446 -10.413 717 H VAL 83 H VAL 83 -13.144 -3.902 -9.524 718 HA VAL 83 HA VAL 83 -13.075 -6.869 -9.772 719 HB VAL 83 HB VAL 83 -15.180 -6.973 -8.701 720 1HG1 VAL 83 1HG1 VAL 83 -14.775 -5.953 -6.580 721 2HG1 VAL 83 2HG1 VAL 83 -13.847 -4.641 -7.308 722 3HG1 VAL 83 3HG1 VAL 83 -13.182 -6.274 -7.264 723 1HG2 VAL 83 1HG2 VAL 83 -15.343 -3.967 -9.093 724 2HG2 VAL 83 2HG2 VAL 83 -16.535 -4.947 -8.233 725 3HG2 VAL 83 3HG2 VAL 83 -16.280 -5.187 -9.964 726 H ALA 84 H ALA 84 -14.548 -7.764 -11.322 727 HA ALA 84 HA ALA 84 -14.523 -6.608 -13.865 728 1HB ALA 84 1HB ALA 84 -16.740 -8.196 -13.874 729 2HB ALA 84 2HB ALA 84 -15.928 -8.740 -12.404 730 3HB ALA 84 3HB ALA 84 -15.082 -8.795 -13.956 731 HA PRO 85 HA PRO 85 -17.797 -3.723 -14.081 732 1HB PRO 85 2HB PRO 85 -19.010 -4.341 -16.453 733 2HB PRO 85 1HB PRO 85 -17.407 -3.610 -16.356 734 1HG PRO 85 2HG PRO 85 -18.162 -6.386 -16.914 735 2HG PRO 85 1HG PRO 85 -16.800 -5.451 -17.519 736 1HD PRO 85 2HD PRO 85 -16.651 -7.356 -15.514 737 2HD PRO 85 1HD PRO 85 -15.459 -6.080 -15.794 738 H GLY 86 H GLY 86 -18.626 -5.579 -12.288 739 1HA GLY 86 2HA GLY 86 -21.512 -5.616 -12.680 740 2HA GLY 86 1HA GLY 86 -20.802 -7.230 -12.724 741 H GLN 87 H GLN 87 -18.868 -7.145 -10.803 742 HA GLN 87 HA GLN 87 -20.184 -7.585 -8.377 743 1HB GLN 87 2HB GLN 87 -17.393 -6.660 -9.079 744 2HB GLN 87 1HB GLN 87 -17.846 -7.136 -7.446 745 1HG GLN 87 2HG GLN 87 -16.948 -8.829 -9.461 746 2HG GLN 87 1HG GLN 87 -17.715 -9.324 -7.957 747 1HE2 GLN 87 1HE2 GLN 87 -19.821 -10.241 -8.094 748 2HE2 GLN 87 2HE2 GLN 87 -20.668 -10.426 -9.553 749 H LYS 88 H LYS 88 -19.261 -6.159 -6.349 750 HA LYS 88 HA LYS 88 -19.186 -3.305 -6.593 751 1HB LYS 88 2HB LYS 88 -21.549 -2.870 -5.848 752 2HB LYS 88 1HB LYS 88 -21.449 -3.593 -7.453 753 1HG LYS 88 2HG LYS 88 -22.783 -5.255 -6.734 754 2HG LYS 88 1HG LYS 88 -21.501 -5.749 -5.626 755 1HD LYS 88 2HD LYS 88 -22.660 -5.001 -3.846 756 2HD LYS 88 1HD LYS 88 -22.900 -3.425 -4.601 757 1HE LYS 88 2HE LYS 88 -25.111 -4.162 -4.468 758 2HE LYS 88 1HE LYS 88 -24.670 -4.806 -6.062 759 1HZ LYS 88 1HZ LYS 88 -24.067 -6.882 -5.084 760 2HZ LYS 88 2HZ LYS 88 -25.629 -6.498 -4.536 761 3HZ LYS 88 3HZ LYS 88 -24.289 -6.282 -3.513 762 H ILE 89 H ILE 89 -17.594 -3.787 -4.904 763 HA ILE 89 HA ILE 89 -18.289 -5.103 -2.432 764 HB ILE 89 HB ILE 89 -16.097 -3.241 -3.364 765 1HG1 ILE 89 2HG1 ILE 89 -16.347 -6.199 -2.769 766 2HG1 ILE 89 1HG1 ILE 89 -15.913 -5.436 -4.298 767 1HG2 ILE 89 1HG2 ILE 89 -14.938 -3.712 -1.239 768 2HG2 ILE 89 2HG2 ILE 89 -16.346 -4.607 -0.665 769 3HG2 ILE 89 3HG2 ILE 89 -16.460 -2.870 -0.945 770 1HD1 ILE 89 1HD1 ILE 89 -14.238 -5.968 -1.910 771 2HD1 ILE 89 2HD1 ILE 89 -13.967 -4.422 -2.711 772 3HD1 ILE 89 3HD1 ILE 89 -13.788 -5.927 -3.614 773 H GLU 90 H GLU 90 -19.916 -4.246 -1.174 774 HA GLU 90 HA GLU 90 -20.474 -1.385 -1.046 775 1HB GLU 90 2HB GLU 90 -21.445 -3.805 0.504 776 2HB GLU 90 1HB GLU 90 -22.156 -2.195 0.631 777 1HG GLU 90 2HG GLU 90 -21.981 -2.750 -2.133 778 2HG GLU 90 1HG GLU 90 -22.610 -4.217 -1.381 779 H ALA 91 H ALA 91 -18.333 -3.507 0.605 780 HA ALA 91 HA ALA 91 -18.258 -2.481 3.233 781 1HB ALA 91 1HB ALA 91 -15.688 -3.114 2.784 782 2HB ALA 91 2HB ALA 91 -16.390 -3.806 1.322 783 3HB ALA 91 3HB ALA 91 -16.943 -4.348 2.907 784 H LEU 92 H LEU 92 -16.847 -1.136 0.259 785 HA LEU 92 HA LEU 92 -15.675 1.098 1.873 786 1HB LEU 92 2HB LEU 92 -15.151 0.919 -1.039 787 2HB LEU 92 1HB LEU 92 -14.022 1.178 0.287 788 HG LEU 92 HG LEU 92 -15.221 -1.460 -0.588 789 1HD1 LEU 92 1HD1 LEU 92 -13.041 -2.025 -1.309 790 2HD1 LEU 92 2HD1 LEU 92 -12.304 -0.713 -0.389 791 3HD1 LEU 92 3HD1 LEU 92 -13.238 -0.355 -1.842 792 1HD2 LEU 92 1HD2 LEU 92 -14.661 -2.347 1.419 793 2HD2 LEU 92 2HD2 LEU 92 -14.510 -0.688 2.001 794 3HD2 LEU 92 3HD2 LEU 92 -13.088 -1.547 1.406 795 H GLU 93 H GLU 93 -18.120 0.329 -0.496 796 HA GLU 93 HA GLU 93 -18.528 2.917 -1.619 797 1HB GLU 93 2HB GLU 93 -19.901 0.328 -1.379 798 2HB GLU 93 1HB GLU 93 -21.003 1.694 -1.562 799 1HG GLU 93 2HG GLU 93 -18.627 1.688 -3.344 800 2HG GLU 93 1HG GLU 93 -19.839 0.447 -3.664 801 H GLY 94 H GLY 94 -19.345 1.585 1.499 802 1HA GLY 94 2HA GLY 94 -20.985 4.016 2.092 803 2HA GLY 94 1HA GLY 94 -21.189 2.471 2.919 804 H LEU 95 H LEU 95 -18.195 2.116 2.994 805 HA LEU 95 HA LEU 95 -17.572 2.861 5.579 806 1HB LEU 95 2HB LEU 95 -16.279 1.657 3.576 807 2HB LEU 95 1HB LEU 95 -15.484 3.227 3.464 808 HG LEU 95 HG LEU 95 -15.023 3.071 5.944 809 1HD1 LEU 95 1HD1 LEU 95 -15.502 0.123 5.719 810 2HD1 LEU 95 2HD1 LEU 95 -16.878 1.174 6.052 811 3HD1 LEU 95 3HD1 LEU 95 -15.501 1.150 7.153 812 1HD2 LEU 95 1HD2 LEU 95 -13.892 1.171 3.906 813 2HD2 LEU 95 2HD2 LEU 95 -13.316 1.102 5.572 814 3HD2 LEU 95 3HD2 LEU 95 -13.141 2.589 4.639 815 H ILE 96 H ILE 96 -17.699 4.957 2.760 816 HA ILE 96 HA ILE 96 -16.190 7.179 3.516 817 HB ILE 96 HB ILE 96 -18.890 6.886 2.177 818 1HG1 ILE 96 2HG1 ILE 96 -16.250 7.673 0.943 819 2HG1 ILE 96 1HG1 ILE 96 -16.658 5.977 1.208 820 1HG2 ILE 96 1HG2 ILE 96 -17.401 9.316 2.972 821 2HG2 ILE 96 2HG2 ILE 96 -19.109 9.120 2.580 822 3HG2 ILE 96 3HG2 ILE 96 -17.921 9.278 1.287 823 1HD1 ILE 96 1HD1 ILE 96 -18.597 6.133 -0.194 824 2HD1 ILE 96 2HD1 ILE 96 -17.279 6.897 -1.082 825 3HD1 ILE 96 3HD1 ILE 96 -18.482 7.891 -0.263 Start of MODEL 12 1 1H MET 1 1HT MET 1 -1.644 -14.250 12.329 2 2H MET 1 2HT MET 1 -2.802 -13.013 12.443 3 3H MET 1 3HT MET 1 -1.176 -12.696 12.819 4 HA MET 1 HA MET 1 -0.587 -12.413 10.664 5 1HB MET 1 2HB MET 1 -1.644 -13.948 8.926 6 2HB MET 1 1HB MET 1 -0.778 -14.787 10.221 7 1HG MET 1 2HG MET 1 -3.326 -14.513 11.261 8 2HG MET 1 1HG MET 1 -3.635 -14.797 9.547 9 1HE MET 1 1HE MET 1 -4.138 -18.200 11.524 10 2HE MET 1 2HE MET 1 -4.938 -16.844 10.736 11 3HE MET 1 3HE MET 1 -4.195 -16.620 12.317 12 H LYS 2 H LYS 2 -1.350 -10.854 9.219 13 HA LYS 2 HA LYS 2 -3.672 -9.343 9.596 14 1HB LYS 2 2HB LYS 2 -2.610 -10.111 6.853 15 2HB LYS 2 1HB LYS 2 -3.312 -8.572 7.335 16 1HG LYS 2 2HG LYS 2 -0.589 -9.678 8.024 17 2HG LYS 2 1HG LYS 2 -0.993 -8.131 7.284 18 1HD LYS 2 2HD LYS 2 -2.323 -7.834 9.601 19 2HD LYS 2 1HD LYS 2 -1.055 -8.929 10.152 20 1HE LYS 2 2HE LYS 2 0.675 -7.404 9.288 21 2HE LYS 2 1HE LYS 2 -0.584 -6.308 8.684 22 1HZ LYS 2 1HZ LYS 2 -1.488 -6.375 11.035 23 2HZ LYS 2 2HZ LYS 2 -0.050 -5.499 10.806 24 3HZ LYS 2 3HZ LYS 2 -0.002 -7.053 11.490 25 H THR 3 H THR 3 -5.496 -10.616 10.060 26 HA THR 3 HA THR 3 -6.919 -12.636 9.672 27 HB THR 3 HB THR 3 -7.482 -10.065 8.234 28 HG1 THR 3 1HG THR 3 -7.727 -10.176 10.475 29 1HG2 THR 3 1HG2 THR 3 -9.148 -12.576 8.123 30 2HG2 THR 3 2HG2 THR 3 -8.615 -11.559 6.784 31 3HG2 THR 3 3HG2 THR 3 -9.850 -10.973 7.899 32 H ALA 4 H ALA 4 -6.665 -11.044 6.516 33 HA ALA 4 HA ALA 4 -6.998 -13.318 4.854 34 1HB ALA 4 1HB ALA 4 -5.844 -10.586 4.772 35 2HB ALA 4 2HB ALA 4 -7.091 -11.302 3.747 36 3HB ALA 4 3HB ALA 4 -5.389 -11.670 3.463 37 H TYR 5 H TYR 5 -5.615 -14.914 6.130 38 HA TYR 5 HA TYR 5 -3.485 -15.798 6.842 39 1HB TYR 5 2HB TYR 5 -2.387 -16.611 4.669 40 2HB TYR 5 1HB TYR 5 -4.068 -17.061 4.919 41 HD1 TYR 5 1HD TYR 5 -1.765 -15.683 2.632 42 HD2 TYR 5 2HD TYR 5 -5.839 -15.330 3.945 43 HE1 TYR 5 1HE TYR 5 -2.373 -14.631 0.468 44 HE2 TYR 5 2HE TYR 5 -6.441 -14.268 1.791 45 HH TYR 5 HH TYR 5 -4.125 -13.129 -0.414 46 H ASP 6 H ASP 6 -3.264 -13.114 7.226 47 HA ASP 6 HA ASP 6 -1.662 -11.457 7.536 48 1HB ASP 6 2HB ASP 6 -0.202 -13.096 8.284 49 2HB ASP 6 1HB ASP 6 -0.033 -13.820 6.687 50 H VAL 7 H VAL 7 -3.169 -11.027 5.356 51 HA VAL 7 HA VAL 7 -1.200 -9.955 3.371 52 HB VAL 7 HB VAL 7 -3.921 -11.016 2.635 53 1HG1 VAL 7 1HG1 VAL 7 -3.098 -10.940 0.439 54 2HG1 VAL 7 2HG1 VAL 7 -1.417 -10.930 0.975 55 3HG1 VAL 7 3HG1 VAL 7 -2.420 -9.491 1.185 56 1HG2 VAL 7 1HG2 VAL 7 -1.810 -12.828 1.907 57 2HG2 VAL 7 2HG2 VAL 7 -3.282 -13.138 2.830 58 3HG2 VAL 7 3HG2 VAL 7 -1.824 -12.604 3.656 59 H ILE 8 H ILE 8 -4.132 -9.309 2.137 60 HA ILE 8 HA ILE 8 -4.189 -6.551 2.648 61 HB ILE 8 HB ILE 8 -6.476 -8.452 2.029 62 1HG1 ILE 8 2HG1 ILE 8 -5.091 -7.092 -0.184 63 2HG1 ILE 8 1HG1 ILE 8 -4.090 -8.277 0.654 64 1HG2 ILE 8 1HG2 ILE 8 -6.580 -5.752 2.444 65 2HG2 ILE 8 2HG2 ILE 8 -7.657 -6.615 1.346 66 3HG2 ILE 8 3HG2 ILE 8 -6.216 -5.814 0.720 67 1HD1 ILE 8 1HD1 ILE 8 -5.190 -9.937 -0.387 68 2HD1 ILE 8 2HD1 ILE 8 -6.203 -8.753 -1.211 69 3HD1 ILE 8 3HD1 ILE 8 -6.693 -9.398 0.355 70 H LEU 9 H LEU 9 -5.648 -5.294 3.994 71 HA LEU 9 HA LEU 9 -6.974 -6.744 6.238 72 1HB LEU 9 2HB LEU 9 -4.666 -4.831 6.312 73 2HB LEU 9 1HB LEU 9 -5.825 -4.800 7.642 74 HG LEU 9 HG LEU 9 -4.577 -7.375 6.676 75 1HD1 LEU 9 1HD1 LEU 9 -3.468 -6.426 9.162 76 2HD1 LEU 9 2HD1 LEU 9 -3.218 -5.213 7.907 77 3HD1 LEU 9 3HD1 LEU 9 -2.625 -6.857 7.674 78 1HD2 LEU 9 1HD2 LEU 9 -6.488 -6.561 8.713 79 2HD2 LEU 9 2HD2 LEU 9 -5.115 -7.402 9.431 80 3HD2 LEU 9 3HD2 LEU 9 -6.067 -8.185 8.169 81 H ALA 10 H ALA 10 -6.295 -3.320 6.354 82 HA ALA 10 HA ALA 10 -9.193 -2.777 5.840 83 1HB ALA 10 1HB ALA 10 -8.923 -0.968 7.372 84 2HB ALA 10 2HB ALA 10 -7.166 -1.006 7.220 85 3HB ALA 10 3HB ALA 10 -8.005 -2.300 8.075 86 HA PRO 11 HA PRO 11 -8.053 -0.495 2.252 87 1HB PRO 11 2HB PRO 11 -10.201 1.194 2.100 88 2HB PRO 11 1HB PRO 11 -10.297 -0.531 1.690 89 1HG PRO 11 2HG PRO 11 -11.152 0.874 4.168 90 2HG PRO 11 1HG PRO 11 -11.914 -0.476 3.315 91 1HD PRO 11 2HD PRO 11 -10.414 -0.761 5.584 92 2HD PRO 11 1HD PRO 11 -10.621 -2.038 4.367 93 H VAL 12 H VAL 12 -7.835 1.928 1.571 94 HA VAL 12 HA VAL 12 -6.874 3.489 3.944 95 HB VAL 12 HB VAL 12 -5.164 4.315 2.519 96 1HG1 VAL 12 1HG1 VAL 12 -5.669 1.497 1.525 97 2HG1 VAL 12 2HG1 VAL 12 -4.964 1.874 3.096 98 3HG1 VAL 12 3HG1 VAL 12 -4.115 2.325 1.617 99 1HG2 VAL 12 1HG2 VAL 12 -5.215 4.103 0.080 100 2HG2 VAL 12 2HG2 VAL 12 -6.693 4.890 0.637 101 3HG2 VAL 12 3HG2 VAL 12 -6.722 3.189 0.171 102 H LEU 13 H LEU 13 -7.657 5.584 4.207 103 HA LEU 13 HA LEU 13 -9.782 6.452 2.300 104 1HB LEU 13 2HB LEU 13 -9.068 7.115 5.168 105 2HB LEU 13 1HB LEU 13 -10.320 7.973 4.272 106 HG LEU 13 HG LEU 13 -11.436 6.232 5.485 107 1HD1 LEU 13 1HD1 LEU 13 -12.624 5.342 3.735 108 2HD1 LEU 13 2HD1 LEU 13 -11.173 4.804 2.888 109 3HD1 LEU 13 3HD1 LEU 13 -11.666 6.496 2.809 110 1HD2 LEU 13 1HD2 LEU 13 -10.639 4.068 5.755 111 2HD2 LEU 13 2HD2 LEU 13 -9.115 4.942 5.606 112 3HD2 LEU 13 3HD2 LEU 13 -9.778 4.083 4.215 113 H SER 14 H SER 14 -8.977 7.819 0.750 114 HA SER 14 HA SER 14 -7.586 10.269 1.575 115 1HB SER 14 2HB SER 14 -5.774 9.453 -0.269 116 2HB SER 14 1HB SER 14 -5.586 9.147 1.455 117 HG SER 14 HG SER 14 -5.433 7.168 0.622 118 H GLU 15 H GLU 15 -8.020 11.888 0.080 119 HA GLU 15 HA GLU 15 -10.012 11.785 -1.826 120 1HB GLU 15 2HB GLU 15 -8.707 13.771 -0.968 121 2HB GLU 15 1HB GLU 15 -7.420 13.338 -2.094 122 1HG GLU 15 2HG GLU 15 -9.936 13.358 -3.491 123 2HG GLU 15 1HG GLU 15 -9.733 14.886 -2.634 124 H LYS 16 H LYS 16 -6.526 11.283 -2.512 125 HA LYS 16 HA LYS 16 -6.702 10.751 -5.262 126 1HB LYS 16 2HB LYS 16 -4.857 10.444 -3.066 127 2HB LYS 16 1HB LYS 16 -4.754 9.038 -4.126 128 1HG LYS 16 2HG LYS 16 -4.434 11.948 -4.902 129 2HG LYS 16 1HG LYS 16 -3.212 10.678 -4.980 130 1HD LYS 16 2HD LYS 16 -5.094 9.521 -6.506 131 2HD LYS 16 1HD LYS 16 -5.512 11.210 -6.798 132 1HE LYS 16 2HE LYS 16 -3.901 10.928 -8.451 133 2HE LYS 16 1HE LYS 16 -2.841 11.395 -7.105 134 1HZ LYS 16 1HZ LYS 16 -2.857 8.946 -6.510 135 2HZ LYS 16 2HZ LYS 16 -1.961 9.382 -7.885 136 3HZ LYS 16 3HZ LYS 16 -3.493 8.667 -8.056 137 H ALA 17 H ALA 17 -6.944 8.444 -2.536 138 HA ALA 17 HA ALA 17 -7.392 6.117 -4.176 139 1HB ALA 17 1HB ALA 17 -7.441 6.935 -1.346 140 2HB ALA 17 2HB ALA 17 -6.832 5.447 -2.070 141 3HB ALA 17 3HB ALA 17 -8.552 5.619 -1.722 142 H TYR 18 H TYR 18 -9.714 7.900 -2.096 143 HA TYR 18 HA TYR 18 -12.096 6.715 -2.860 144 1HB TYR 18 2HB TYR 18 -11.194 9.413 -2.002 145 2HB TYR 18 1HB TYR 18 -12.820 9.328 -2.683 146 HD1 TYR 18 1HD TYR 18 -11.507 9.593 0.336 147 HD2 TYR 18 2HD TYR 18 -13.694 6.646 -1.887 148 HE1 TYR 18 1HE TYR 18 -12.352 8.622 2.456 149 HE2 TYR 18 2HE TYR 18 -14.540 5.669 0.231 150 HH TYR 18 HH TYR 18 -14.371 5.694 2.459 151 H ALA 19 H ALA 19 -10.107 8.906 -4.766 152 HA ALA 19 HA ALA 19 -12.173 9.160 -6.867 153 1HB ALA 19 1HB ALA 19 -9.315 10.162 -6.615 154 2HB ALA 19 2HB ALA 19 -10.765 11.074 -6.198 155 3HB ALA 19 3HB ALA 19 -10.449 10.642 -7.878 156 H GLY 20 H GLY 20 -9.440 7.202 -6.078 157 1HA GLY 20 2HA GLY 20 -9.135 6.222 -8.871 158 2HA GLY 20 1HA GLY 20 -8.065 5.831 -7.521 159 H PHE 21 H PHE 21 -10.023 5.161 -5.620 160 HA PHE 21 HA PHE 21 -10.584 2.428 -6.350 161 1HB PHE 21 2HB PHE 21 -10.873 2.299 -4.081 162 2HB PHE 21 1HB PHE 21 -10.302 3.959 -4.066 163 HD1 PHE 21 1HD PHE 21 -12.397 5.613 -4.963 164 HD2 PHE 21 2HD PHE 21 -12.709 1.983 -2.694 165 HE1 PHE 21 1HE PHE 21 -14.590 6.357 -4.079 166 HE2 PHE 21 2HE PHE 21 -14.902 2.725 -1.808 167 HZ PHE 21 HZ PHE 21 -15.845 4.911 -2.501 168 H ALA 22 H ALA 22 -12.194 5.409 -6.808 169 HA ALA 22 HA ALA 22 -14.915 4.732 -6.758 170 1HB ALA 22 1HB ALA 22 -15.086 6.863 -7.534 171 2HB ALA 22 2HB ALA 22 -14.020 6.541 -8.901 172 3HB ALA 22 3HB ALA 22 -13.336 6.898 -7.315 173 H GLU 23 H GLU 23 -12.447 3.844 -9.033 174 HA GLU 23 HA GLU 23 -14.345 3.154 -11.190 175 1HB GLU 23 2HB GLU 23 -11.714 3.949 -11.026 176 2HB GLU 23 1HB GLU 23 -11.549 2.214 -11.281 177 1HG GLU 23 2HG GLU 23 -13.592 3.112 -13.037 178 2HG GLU 23 1HG GLU 23 -12.242 4.236 -13.198 179 H GLY 24 H GLY 24 -14.061 1.749 -8.375 180 1HA GLY 24 2HA GLY 24 -14.809 -0.467 -7.859 181 2HA GLY 24 1HA GLY 24 -14.296 -0.965 -9.465 182 H LYS 25 H LYS 25 -11.916 0.976 -8.311 183 HA LYS 25 HA LYS 25 -10.091 -1.256 -7.793 184 1HB LYS 25 2HB LYS 25 -9.969 1.764 -7.962 185 2HB LYS 25 1HB LYS 25 -8.555 0.834 -7.479 186 1HG LYS 25 2HG LYS 25 -8.564 -0.379 -9.571 187 2HG LYS 25 1HG LYS 25 -10.108 0.335 -10.031 188 1HD LYS 25 2HD LYS 25 -9.162 2.461 -10.382 189 2HD LYS 25 1HD LYS 25 -7.730 2.082 -9.426 190 1HE LYS 25 2HE LYS 25 -8.202 0.357 -11.810 191 2HE LYS 25 1HE LYS 25 -7.693 2.029 -12.124 192 1HZ LYS 25 1HZ LYS 25 -5.677 1.028 -11.739 193 2HZ LYS 25 2HZ LYS 25 -6.307 -0.083 -10.618 194 3HZ LYS 25 3HZ LYS 25 -6.066 1.539 -10.170 195 H TYR 26 H TYR 26 -9.372 -1.870 -5.696 196 HA TYR 26 HA TYR 26 -10.328 -0.137 -3.449 197 1HB TYR 26 2HB TYR 26 -10.366 -3.157 -3.713 198 2HB TYR 26 1HB TYR 26 -10.824 -2.273 -2.256 199 HD1 TYR 26 1HD TYR 26 -12.403 -4.063 -4.513 200 HD2 TYR 26 2HD TYR 26 -12.204 0.078 -3.391 201 HE1 TYR 26 1HE TYR 26 -14.675 -3.700 -5.438 202 HE2 TYR 26 2HE TYR 26 -14.476 0.439 -4.315 203 HH TYR 26 HH TYR 26 -15.940 -0.682 -6.078 204 H THR 27 H THR 27 -8.422 0.745 -2.758 205 HA THR 27 HA THR 27 -5.904 -0.670 -2.628 206 HB THR 27 HB THR 27 -6.585 1.824 -1.099 207 HG1 THR 27 1HG THR 27 -6.450 2.974 -3.040 208 1HG2 THR 27 1HG2 THR 27 -4.315 2.261 -2.567 209 2HG2 THR 27 2HG2 THR 27 -4.225 0.521 -2.290 210 3HG2 THR 27 3HG2 THR 27 -4.330 1.628 -0.921 211 H PHE 28 H PHE 28 -5.018 -1.654 -0.826 212 HA PHE 28 HA PHE 28 -6.617 -1.636 1.707 213 1HB PHE 28 2HB PHE 28 -5.377 -3.957 0.203 214 2HB PHE 28 1HB PHE 28 -6.119 -4.080 1.792 215 HD1 PHE 28 1HD PHE 28 -8.372 -2.043 1.253 216 HD2 PHE 28 2HD PHE 28 -6.884 -5.411 -0.962 217 HE1 PHE 28 1HE PHE 28 -10.597 -2.328 0.194 218 HE2 PHE 28 2HE PHE 28 -9.113 -5.695 -2.020 219 HZ PHE 28 HZ PHE 28 -10.966 -4.155 -1.442 220 H TRP 29 H TRP 29 -5.266 -2.440 3.574 221 HA TRP 29 HA TRP 29 -2.444 -1.518 3.298 222 1HB TRP 29 2HB TRP 29 -4.438 -1.880 5.541 223 2HB TRP 29 1HB TRP 29 -2.715 -1.757 5.899 224 HD1 TRP 29 HD TRP 29 -5.485 0.391 5.979 225 HE1 TRP 29 1HE TRP 29 -4.906 2.835 5.396 226 HE3 TRP 29 3HE TRP 29 -0.936 -0.285 3.758 227 HZ2 TRP 29 2HZ TRP 29 -2.792 4.308 4.153 228 HZ3 TRP 29 3HZ TRP 29 0.337 1.655 2.885 229 HH2 TRP 29 HH TRP 29 -0.584 3.948 3.079 230 H VAL 30 H VAL 30 -0.959 -3.180 3.055 231 HA VAL 30 HA VAL 30 -1.523 -5.754 4.414 232 HB VAL 30 HB VAL 30 -2.556 -5.820 2.230 233 1HG1 VAL 30 1HG1 VAL 30 -0.648 -5.727 0.309 234 2HG1 VAL 30 2HG1 VAL 30 -0.002 -4.542 1.444 235 3HG1 VAL 30 3HG1 VAL 30 -1.618 -4.328 0.771 236 1HG2 VAL 30 1HG2 VAL 30 -1.673 -7.818 1.527 237 2HG2 VAL 30 2HG2 VAL 30 -1.075 -7.719 3.183 238 3HG2 VAL 30 3HG2 VAL 30 -0.014 -7.310 1.836 239 H HIS 31 H HIS 31 0.344 -7.217 4.280 240 HA HIS 31 HA HIS 31 2.793 -5.986 5.071 241 1HB HIS 31 2HB HIS 31 1.648 -8.616 4.667 242 2HB HIS 31 1HB HIS 31 3.323 -8.589 4.114 243 HD1 HIS 31 1HD HIS 31 4.861 -9.244 5.952 244 HD2 HIS 31 2HD HIS 31 1.615 -7.064 7.395 245 HE1 HIS 31 1HE HIS 31 5.205 -9.016 8.450 246 HA PRO 32 HA PRO 32 4.715 -5.063 1.227 247 1HB PRO 32 2HB PRO 32 7.339 -5.263 1.963 248 2HB PRO 32 1HB PRO 32 6.292 -3.924 2.464 249 1HG PRO 32 2HG PRO 32 7.137 -6.327 3.993 250 2HG PRO 32 1HG PRO 32 6.930 -4.656 4.540 251 1HD PRO 32 2HD PRO 32 5.102 -6.637 4.987 252 2HD PRO 32 1HD PRO 32 4.686 -4.912 4.887 253 H LYS 33 H LYS 33 3.819 -7.342 0.578 254 HA LYS 33 HA LYS 33 5.868 -8.817 -0.780 255 1HB LYS 33 2HB LYS 33 5.554 -10.897 0.757 256 2HB LYS 33 1HB LYS 33 6.605 -9.601 1.327 257 1HG LYS 33 2HG LYS 33 5.301 -9.332 3.140 258 2HG LYS 33 1HG LYS 33 3.921 -8.975 2.110 259 1HD LYS 33 2HD LYS 33 3.178 -10.862 3.277 260 2HD LYS 33 1HD LYS 33 3.816 -11.575 1.794 261 1HE LYS 33 2HE LYS 33 5.191 -12.837 3.079 262 2HE LYS 33 1HE LYS 33 6.018 -11.345 3.570 263 1HZ LYS 33 1HZ LYS 33 3.947 -11.078 5.085 264 2HZ LYS 33 2HZ LYS 33 5.212 -12.101 5.575 265 3HZ LYS 33 3HZ LYS 33 3.800 -12.757 4.894 266 H ALA 34 H ALA 34 2.664 -8.876 0.729 267 HA ALA 34 HA ALA 34 1.382 -11.004 -0.450 268 1HB ALA 34 1HB ALA 34 0.494 -8.125 -0.125 269 2HB ALA 34 2HB ALA 34 0.269 -9.445 1.022 270 3HB ALA 34 3HB ALA 34 -0.616 -9.442 -0.502 271 H THR 35 H THR 35 2.212 -11.539 -2.541 272 HA THR 35 HA THR 35 2.680 -9.903 -4.745 273 HB THR 35 HB THR 35 1.575 -12.137 -5.868 274 HG1 THR 35 1HG THR 35 1.182 -13.559 -4.394 275 1HG2 THR 35 1HG2 THR 35 3.906 -13.174 -5.296 276 2HG2 THR 35 2HG2 THR 35 4.226 -11.605 -4.557 277 3HG2 THR 35 3HG2 THR 35 3.839 -11.708 -6.275 278 H LYS 36 H LYS 36 1.336 -9.296 -6.579 279 HA LYS 36 HA LYS 36 -1.161 -8.116 -5.959 280 1HB LYS 36 2HB LYS 36 0.172 -9.022 -8.521 281 2HB LYS 36 1HB LYS 36 -1.340 -8.114 -8.522 282 1HG LYS 36 2HG LYS 36 0.522 -6.831 -6.744 283 2HG LYS 36 1HG LYS 36 1.296 -7.080 -8.309 284 1HD LYS 36 2HD LYS 36 -0.887 -6.149 -9.327 285 2HD LYS 36 1HD LYS 36 -1.248 -5.577 -7.698 286 1HE LYS 36 2HE LYS 36 -0.102 -3.820 -9.038 287 2HE LYS 36 1HE LYS 36 0.907 -4.333 -7.672 288 1HZ LYS 36 1HZ LYS 36 2.261 -5.590 -9.012 289 2HZ LYS 36 2HZ LYS 36 1.902 -4.305 -10.063 290 3HZ LYS 36 3HZ LYS 36 1.087 -5.788 -10.219 291 H THR 37 H THR 37 -0.408 -11.330 -7.284 292 HA THR 37 HA THR 37 -3.169 -12.044 -7.821 293 HB THR 37 HB THR 37 -0.942 -13.946 -7.328 294 HG1 THR 37 1HG THR 37 0.029 -13.363 -9.160 295 1HG2 THR 37 1HG2 THR 37 -3.000 -13.858 -9.526 296 2HG2 THR 37 2HG2 THR 37 -3.278 -14.663 -7.980 297 3HG2 THR 37 3HG2 THR 37 -1.993 -15.226 -9.051 298 H GLU 38 H GLU 38 -0.852 -13.009 -5.270 299 HA GLU 38 HA GLU 38 -2.570 -14.663 -3.759 300 1HB GLU 38 2HB GLU 38 -0.182 -12.928 -3.246 301 2HB GLU 38 1HB GLU 38 -1.019 -13.616 -1.854 302 1HG GLU 38 2HG GLU 38 -0.829 -15.874 -2.924 303 2HG GLU 38 1HG GLU 38 0.146 -15.142 -4.198 304 H ILE 39 H ILE 39 -2.204 -11.130 -3.735 305 HA ILE 39 HA ILE 39 -3.812 -10.510 -1.480 306 HB ILE 39 HB ILE 39 -3.136 -9.175 -4.106 307 1HG1 ILE 39 2HG1 ILE 39 -2.425 -8.594 -1.212 308 2HG1 ILE 39 1HG1 ILE 39 -1.379 -9.396 -2.385 309 1HG2 ILE 39 1HG2 ILE 39 -4.632 -7.839 -1.838 310 2HG2 ILE 39 2HG2 ILE 39 -5.428 -8.439 -3.292 311 3HG2 ILE 39 3HG2 ILE 39 -4.229 -7.153 -3.410 312 1HD1 ILE 39 1HD1 ILE 39 -1.590 -6.624 -1.928 313 2HD1 ILE 39 2HD1 ILE 39 -2.389 -6.910 -3.473 314 3HD1 ILE 39 3HD1 ILE 39 -0.717 -7.418 -3.238 315 H LYS 40 H LYS 40 -4.656 -11.427 -4.774 316 HA LYS 40 HA LYS 40 -7.396 -10.649 -4.838 317 1HB LYS 40 2HB LYS 40 -5.858 -11.464 -6.691 318 2HB LYS 40 1HB LYS 40 -6.110 -13.097 -6.076 319 1HG LYS 40 2HG LYS 40 -8.256 -13.209 -6.843 320 2HG LYS 40 1HG LYS 40 -8.568 -11.504 -6.523 321 1HD LYS 40 2HD LYS 40 -8.538 -11.541 -8.858 322 2HD LYS 40 1HD LYS 40 -6.867 -11.114 -8.489 323 1HE LYS 40 2HE LYS 40 -6.780 -13.874 -8.418 324 2HE LYS 40 1HE LYS 40 -7.927 -13.558 -9.736 325 1HZ LYS 40 1HZ LYS 40 -5.119 -12.762 -9.486 326 2HZ LYS 40 2HZ LYS 40 -6.177 -11.688 -10.271 327 3HZ LYS 40 3HZ LYS 40 -5.978 -13.270 -10.858 328 H ASN 41 H ASN 41 -5.902 -13.735 -3.854 329 HA ASN 41 HA ASN 41 -8.256 -15.204 -3.326 330 1HB ASN 41 2HB ASN 41 -5.421 -15.224 -2.319 331 2HB ASN 41 1HB ASN 41 -6.594 -16.389 -1.701 332 1HD2 ASN 41 1HD2 ASN 41 -5.008 -15.269 -4.708 333 2HD2 ASN 41 2HD2 ASN 41 -5.313 -16.690 -5.584 334 H ALA 42 H ALA 42 -6.507 -12.953 -1.153 335 HA ALA 42 HA ALA 42 -8.067 -13.676 1.179 336 1HB ALA 42 1HB ALA 42 -6.954 -11.016 1.285 337 2HB ALA 42 2HB ALA 42 -5.808 -12.114 0.517 338 3HB ALA 42 3HB ALA 42 -6.425 -12.471 2.130 339 H VAL 43 H VAL 43 -8.237 -10.778 -0.975 340 HA VAL 43 HA VAL 43 -10.514 -9.662 0.380 341 HB VAL 43 HB VAL 43 -10.724 -8.421 -1.866 342 1HG1 VAL 43 1HG1 VAL 43 -8.343 -8.479 -0.051 343 2HG1 VAL 43 2HG1 VAL 43 -9.558 -7.220 -0.265 344 3HG1 VAL 43 3HG1 VAL 43 -8.295 -7.441 -1.476 345 1HG2 VAL 43 1HG2 VAL 43 -8.020 -9.358 -2.585 346 2HG2 VAL 43 2HG2 VAL 43 -9.397 -8.979 -3.621 347 3HG2 VAL 43 3HG2 VAL 43 -9.296 -10.552 -2.827 348 H GLU 44 H GLU 44 -10.228 -12.051 -2.211 349 HA GLU 44 HA GLU 44 -12.932 -11.983 -3.139 350 1HB GLU 44 2HB GLU 44 -10.539 -13.468 -3.509 351 2HB GLU 44 1HB GLU 44 -11.810 -14.638 -3.154 352 1HG GLU 44 2HG GLU 44 -12.296 -12.419 -5.132 353 2HG GLU 44 1HG GLU 44 -11.463 -13.892 -5.631 354 H THR 45 H THR 45 -11.393 -14.144 -0.722 355 HA THR 45 HA THR 45 -13.960 -15.240 0.120 356 HB THR 45 HB THR 45 -11.095 -15.480 0.881 357 HG1 THR 45 1HG THR 45 -12.828 -17.594 0.383 358 1HG2 THR 45 1HG2 THR 45 -13.471 -16.278 2.504 359 2HG2 THR 45 2HG2 THR 45 -11.894 -15.700 3.045 360 3HG2 THR 45 3HG2 THR 45 -12.076 -17.357 2.469 361 H ALA 46 H ALA 46 -12.090 -12.470 0.933 362 HA ALA 46 HA ALA 46 -13.268 -12.218 3.645 363 1HB ALA 46 1HB ALA 46 -10.864 -11.745 3.124 364 2HB ALA 46 2HB ALA 46 -11.700 -10.352 3.814 365 3HB ALA 46 3HB ALA 46 -11.388 -10.423 2.079 366 H PHE 47 H PHE 47 -12.947 -10.011 0.828 367 HA PHE 47 HA PHE 47 -15.133 -8.325 1.700 368 1HB PHE 47 2HB PHE 47 -13.413 -8.654 -0.746 369 2HB PHE 47 1HB PHE 47 -14.791 -7.554 -0.790 370 HD1 PHE 47 1HD PHE 47 -14.901 -6.401 1.857 371 HD2 PHE 47 2HD PHE 47 -11.462 -7.373 -0.523 372 HE1 PHE 47 1HE PHE 47 -13.578 -4.690 3.070 373 HE2 PHE 47 2HE PHE 47 -10.138 -5.664 0.690 374 HZ PHE 47 HZ PHE 47 -11.196 -4.322 2.487 375 H LYS 48 H LYS 48 -14.977 -11.308 -0.002 376 HA LYS 48 HA LYS 48 -16.659 -12.641 -0.971 377 1HB LYS 48 2HB LYS 48 -18.480 -10.563 0.285 378 2HB LYS 48 1HB LYS 48 -18.900 -12.226 -0.123 379 1HG LYS 48 2HG LYS 48 -16.531 -11.995 1.605 380 2HG LYS 48 1HG LYS 48 -18.015 -11.398 2.347 381 1HD LYS 48 2HD LYS 48 -18.865 -13.726 1.142 382 2HD LYS 48 1HD LYS 48 -17.238 -14.152 1.675 383 1HE LYS 48 2HE LYS 48 -17.969 -13.011 3.933 384 2HE LYS 48 1HE LYS 48 -19.609 -13.324 3.331 385 1HZ LYS 48 1HZ LYS 48 -19.109 -15.611 3.040 386 2HZ LYS 48 2HZ LYS 48 -18.595 -15.205 4.607 387 3HZ LYS 48 3HZ LYS 48 -17.460 -15.371 3.355 388 H VAL 49 H VAL 49 -15.462 -10.757 -2.639 389 HA VAL 49 HA VAL 49 -17.744 -9.933 -4.379 390 HB VAL 49 HB VAL 49 -16.062 -8.300 -2.965 391 1HG1 VAL 49 1HG1 VAL 49 -14.258 -7.529 -4.183 392 2HG1 VAL 49 2HG1 VAL 49 -14.961 -8.006 -5.727 393 3HG1 VAL 49 3HG1 VAL 49 -14.246 -9.223 -4.669 394 1HG2 VAL 49 1HG2 VAL 49 -18.136 -7.696 -4.122 395 2HG2 VAL 49 2HG2 VAL 49 -17.282 -7.730 -5.665 396 3HG2 VAL 49 3HG2 VAL 49 -16.855 -6.529 -4.445 397 H LYS 50 H LYS 50 -16.195 -9.128 -6.546 398 HA LYS 50 HA LYS 50 -14.810 -11.670 -7.342 399 1HB LYS 50 2HB LYS 50 -17.070 -11.010 -8.393 400 2HB LYS 50 1HB LYS 50 -16.190 -9.694 -9.174 401 1HG LYS 50 2HG LYS 50 -15.220 -12.544 -9.356 402 2HG LYS 50 1HG LYS 50 -16.418 -11.911 -10.488 403 1HD LYS 50 2HD LYS 50 -14.760 -9.958 -10.844 404 2HD LYS 50 1HD LYS 50 -13.570 -11.004 -10.066 405 1HE LYS 50 2HE LYS 50 -14.788 -12.695 -11.913 406 2HE LYS 50 1HE LYS 50 -14.651 -11.152 -12.780 407 1HZ LYS 50 1HZ LYS 50 -12.613 -12.727 -12.691 408 2HZ LYS 50 2HZ LYS 50 -12.414 -12.107 -11.122 409 3HZ LYS 50 3HZ LYS 50 -12.385 -11.062 -12.461 410 H VAL 51 H VAL 51 -12.638 -11.135 -7.150 411 HA VAL 51 HA VAL 51 -11.648 -8.444 -7.693 412 HB VAL 51 HB VAL 51 -10.315 -11.132 -7.237 413 1HG1 VAL 51 1HG1 VAL 51 -8.377 -9.569 -6.544 414 2HG1 VAL 51 2HG1 VAL 51 -9.234 -8.318 -7.445 415 3HG1 VAL 51 3HG1 VAL 51 -8.670 -9.770 -8.272 416 1HG2 VAL 51 1HG2 VAL 51 -11.658 -10.414 -5.334 417 2HG2 VAL 51 2HG2 VAL 51 -10.954 -8.799 -5.404 418 3HG2 VAL 51 3HG2 VAL 51 -9.955 -10.178 -4.947 419 H VAL 52 H VAL 52 -11.322 -7.701 -9.747 420 HA VAL 52 HA VAL 52 -10.813 -9.694 -11.913 421 HB VAL 52 HB VAL 52 -12.786 -8.130 -12.002 422 1HG1 VAL 52 1HG1 VAL 52 -12.567 -5.859 -11.958 423 2HG1 VAL 52 2HG1 VAL 52 -11.004 -5.891 -12.775 424 3HG1 VAL 52 3HG1 VAL 52 -11.101 -6.240 -11.052 425 1HG2 VAL 52 1HG2 VAL 52 -11.185 -7.154 -14.240 426 2HG2 VAL 52 2HG2 VAL 52 -12.630 -8.175 -14.250 427 3HG2 VAL 52 3HG2 VAL 52 -11.036 -8.894 -13.996 428 H LYS 53 H LYS 53 -9.161 -7.576 -9.916 429 HA LYS 53 HA LYS 53 -6.670 -7.845 -11.267 430 1HB LYS 53 2HB LYS 53 -6.594 -6.052 -12.694 431 2HB LYS 53 1HB LYS 53 -8.348 -6.164 -12.622 432 1HG LYS 53 2HG LYS 53 -8.180 -3.964 -12.042 433 2HG LYS 53 1HG LYS 53 -7.894 -4.628 -10.436 434 1HD LYS 53 2HD LYS 53 -5.810 -3.787 -10.414 435 2HD LYS 53 1HD LYS 53 -5.426 -4.633 -11.914 436 1HE LYS 53 2HE LYS 53 -7.017 -2.575 -12.827 437 2HE LYS 53 1HE LYS 53 -6.123 -1.802 -11.504 438 1HZ LYS 53 1HZ LYS 53 -4.125 -3.063 -12.472 439 2HZ LYS 53 2HZ LYS 53 -4.651 -1.660 -13.274 440 3HZ LYS 53 3HZ LYS 53 -5.061 -3.193 -13.881 441 H VAL 54 H VAL 54 -4.968 -6.961 -9.973 442 HA VAL 54 HA VAL 54 -5.836 -5.386 -7.586 443 HB VAL 54 HB VAL 54 -4.793 -8.101 -7.770 444 1HG1 VAL 54 1HG1 VAL 54 -2.594 -7.156 -7.344 445 2HG1 VAL 54 2HG1 VAL 54 -3.187 -7.862 -5.840 446 3HG1 VAL 54 3HG1 VAL 54 -3.244 -6.116 -6.075 447 1HG2 VAL 54 1HG2 VAL 54 -6.674 -6.797 -6.343 448 2HG2 VAL 54 2HG2 VAL 54 -5.359 -6.788 -5.165 449 3HG2 VAL 54 3HG2 VAL 54 -5.958 -8.319 -5.809 450 H ASN 55 H ASN 55 -4.549 -3.628 -7.247 451 HA ASN 55 HA ASN 55 -1.819 -3.634 -8.445 452 1HB ASN 55 2HB ASN 55 -4.157 -1.963 -9.001 453 2HB ASN 55 1HB ASN 55 -2.743 -1.004 -8.563 454 1HD2 ASN 55 1HD2 ASN 55 -0.615 -1.882 -9.741 455 2HD2 ASN 55 2HD2 ASN 55 -0.806 -2.242 -11.389 456 H THR 56 H THR 56 -0.440 -3.460 -6.749 457 HA THR 56 HA THR 56 -1.324 -1.822 -4.417 458 HB THR 56 HB THR 56 -0.703 -3.604 -3.161 459 HG1 THR 56 1HG THR 56 1.373 -2.790 -3.126 460 1HG2 THR 56 1HG2 THR 56 0.198 -4.900 -5.748 461 2HG2 THR 56 2HG2 THR 56 -1.438 -4.959 -5.089 462 3HG2 THR 56 3HG2 THR 56 -0.111 -5.735 -4.225 463 H LEU 57 H LEU 57 0.528 -0.748 -3.236 464 HA LEU 57 HA LEU 57 2.834 -0.046 -4.999 465 1HB LEU 57 2HB LEU 57 1.275 2.071 -3.523 466 2HB LEU 57 1HB LEU 57 2.340 2.259 -4.913 467 HG LEU 57 HG LEU 57 -0.268 0.733 -5.066 468 1HD1 LEU 57 1HD1 LEU 57 -0.201 3.386 -6.295 469 2HD1 LEU 57 2HD1 LEU 57 -0.038 3.449 -4.538 470 3HD1 LEU 57 3HD1 LEU 57 -1.436 2.657 -5.268 471 1HD2 LEU 57 1HD2 LEU 57 0.614 2.072 -7.459 472 2HD2 LEU 57 2HD2 LEU 57 0.395 0.343 -7.187 473 3HD2 LEU 57 3HD2 LEU 57 1.941 1.105 -6.813 474 H HIS 58 H HIS 58 4.279 1.571 -3.577 475 HA HIS 58 HA HIS 58 4.553 0.290 -0.888 476 1HB HIS 58 2HB HIS 58 6.326 0.676 -2.958 477 2HB HIS 58 1HB HIS 58 6.673 2.065 -1.927 478 HD1 HIS 58 1HD HIS 58 8.906 0.145 -1.963 479 HD2 HIS 58 2HD HIS 58 5.665 -0.409 0.601 480 HE1 HIS 58 1HE HIS 58 9.716 -1.368 -0.102 481 H VAL 59 H VAL 59 3.263 1.546 0.463 482 HA VAL 59 HA VAL 59 3.645 4.515 0.347 483 HB VAL 59 HB VAL 59 1.470 3.843 2.031 484 1HG1 VAL 59 1HG1 VAL 59 0.241 5.146 0.511 485 2HG1 VAL 59 2HG1 VAL 59 1.197 4.605 -0.870 486 3HG1 VAL 59 3HG1 VAL 59 1.892 5.728 0.300 487 1HG2 VAL 59 1HG2 VAL 59 1.419 2.253 -0.557 488 2HG2 VAL 59 2HG2 VAL 59 0.043 2.488 0.519 489 3HG2 VAL 59 3HG2 VAL 59 1.447 1.575 1.070 490 H ARG 60 H ARG 60 4.542 5.523 2.122 491 HA ARG 60 HA ARG 60 4.860 3.910 4.630 492 1HB ARG 60 2HB ARG 60 6.857 5.659 3.161 493 2HB ARG 60 1HB ARG 60 7.142 4.958 4.754 494 1HG ARG 60 2HG ARG 60 8.142 3.430 3.234 495 2HG ARG 60 1HG ARG 60 6.601 2.690 3.670 496 1HD ARG 60 2HD ARG 60 5.914 2.743 1.513 497 2HD ARG 60 1HD ARG 60 6.261 4.481 1.406 498 HE ARG 60 HE ARG 60 8.633 2.739 1.370 499 1HH1 ARG 60 1HH1 ARG 60 7.145 5.395 0.022 500 2HH1 ARG 60 2HH1 ARG 60 7.676 5.106 -1.601 501 1HH2 ARG 60 1HH2 ARG 60 8.938 1.952 -0.909 502 2HH2 ARG 60 2HH2 ARG 60 8.692 3.158 -2.128 503 H GLY 61 H GLY 61 5.394 5.395 6.531 504 1HA GLY 61 2HA GLY 61 3.460 7.529 6.681 505 2HA GLY 61 1HA GLY 61 4.665 7.151 7.913 506 H LYS 62 H LYS 62 3.723 9.669 6.207 507 HA LYS 62 HA LYS 62 6.392 10.564 5.248 508 1HB LYS 62 2HB LYS 62 3.533 11.508 5.016 509 2HB LYS 62 1HB LYS 62 4.873 12.549 4.532 510 1HG LYS 62 2HG LYS 62 5.561 11.081 2.825 511 2HG LYS 62 1HG LYS 62 4.686 9.717 3.520 512 1HD LYS 62 2HD LYS 62 2.571 10.611 2.862 513 2HD LYS 62 1HD LYS 62 3.278 12.182 2.477 514 1HE LYS 62 2HE LYS 62 4.717 10.866 0.745 515 2HE LYS 62 1HE LYS 62 3.492 9.595 0.937 516 1HZ LYS 62 1HZ LYS 62 2.932 12.450 0.319 517 2HZ LYS 62 2HZ LYS 62 1.769 11.226 0.503 518 3HZ LYS 62 3HZ LYS 62 2.859 11.175 -0.798 519 H LYS 63 H LYS 63 4.064 11.138 7.825 520 HA LYS 63 HA LYS 63 5.913 13.217 8.956 521 1HB LYS 63 2HB LYS 63 3.006 13.088 8.476 522 2HB LYS 63 1HB LYS 63 3.441 13.652 10.090 523 1HG LYS 63 2HG LYS 63 4.856 15.393 9.163 524 2HG LYS 63 1HG LYS 63 4.609 14.775 7.529 525 1HD LYS 63 2HD LYS 63 2.070 15.130 8.056 526 2HD LYS 63 1HD LYS 63 2.665 16.212 9.316 527 1HE LYS 63 2HE LYS 63 3.528 17.736 7.790 528 2HE LYS 63 1HE LYS 63 3.791 16.497 6.548 529 1HZ LYS 63 1HZ LYS 63 1.215 16.251 6.752 530 2HZ LYS 63 2HZ LYS 63 1.882 17.469 5.772 531 3HZ LYS 63 3HZ LYS 63 1.299 17.846 7.323 532 H LYS 64 H LYS 64 5.380 10.110 9.318 533 HA LYS 64 HA LYS 64 4.355 9.422 11.780 534 1HB LYS 64 2HB LYS 64 5.920 8.271 9.854 535 2HB LYS 64 1HB LYS 64 7.043 8.332 11.211 536 1HG LYS 64 2HG LYS 64 5.887 6.244 11.401 537 2HG LYS 64 1HG LYS 64 5.194 7.303 12.629 538 1HD LYS 64 2HD LYS 64 3.454 7.928 10.812 539 2HD LYS 64 1HD LYS 64 4.013 6.477 9.981 540 1HE LYS 64 2HE LYS 64 3.428 5.087 11.896 541 2HE LYS 64 1HE LYS 64 3.002 6.523 12.848 542 1HZ LYS 64 1HZ LYS 64 1.718 5.609 10.329 543 2HZ LYS 64 2HZ LYS 64 1.403 7.106 11.071 544 3HZ LYS 64 3HZ LYS 64 1.010 5.658 11.870 545 H ARG 65 H ARG 65 7.271 11.290 11.167 546 HA ARG 65 HA ARG 65 8.373 11.062 13.846 547 1HB ARG 65 2HB ARG 65 8.789 13.191 11.726 548 2HB ARG 65 1HB ARG 65 9.907 12.754 13.019 549 1HG ARG 65 2HG ARG 65 10.850 11.357 11.507 550 2HG ARG 65 1HG ARG 65 9.443 10.328 11.777 551 1HD ARG 65 2HD ARG 65 9.094 10.576 9.530 552 2HD ARG 65 1HD ARG 65 8.480 12.185 9.961 553 HE ARG 65 HE ARG 65 11.168 11.599 8.878 554 1HH1 ARG 65 1HH1 ARG 65 11.633 13.475 11.089 555 2HH1 ARG 65 2HH1 ARG 65 11.369 15.023 10.357 556 1HH2 ARG 65 1HH2 ARG 65 9.678 13.735 7.617 557 2HH2 ARG 65 2HH2 ARG 65 10.262 15.170 8.392 558 H LEU 66 H LEU 66 5.597 12.560 12.755 559 HA LEU 66 HA LEU 66 5.409 15.123 13.712 560 1HB LEU 66 2HB LEU 66 3.667 13.356 12.831 561 2HB LEU 66 1HB LEU 66 3.361 13.088 14.548 562 HG LEU 66 HG LEU 66 3.115 15.638 14.735 563 1HD1 LEU 66 1HD1 LEU 66 3.794 16.690 12.832 564 2HD1 LEU 66 2HD1 LEU 66 2.170 16.308 12.260 565 3HD1 LEU 66 3HD1 LEU 66 3.524 15.263 11.832 566 1HD2 LEU 66 1HD2 LEU 66 1.230 13.744 13.374 567 2HD2 LEU 66 2HD2 LEU 66 0.777 15.444 13.495 568 3HD2 LEU 66 3HD2 LEU 66 1.094 14.509 14.957 569 H GLY 67 H GLY 67 5.299 16.131 15.747 570 1HA GLY 67 2HA GLY 67 5.759 16.400 18.028 571 2HA GLY 67 1HA GLY 67 4.829 14.918 18.227 572 H ARG 68 H ARG 68 6.530 14.677 20.010 573 HA ARG 68 HA ARG 68 9.245 14.305 19.785 574 1HB ARG 68 2HB ARG 68 8.989 12.687 21.581 575 2HB ARG 68 1HB ARG 68 7.735 13.914 21.769 576 1HG ARG 68 2HG ARG 68 6.219 12.360 20.410 577 2HG ARG 68 1HG ARG 68 7.447 11.117 20.658 578 1HD ARG 68 2HD ARG 68 7.244 11.791 23.193 579 2HD ARG 68 1HD ARG 68 5.671 12.444 22.694 580 HE ARG 68 HE ARG 68 6.305 9.704 21.777 581 1HH1 ARG 68 1HH1 ARG 68 5.968 9.456 24.673 582 2HH1 ARG 68 2HH1 ARG 68 4.253 9.311 24.868 583 1HH2 ARG 68 1HH2 ARG 68 3.524 10.535 21.707 584 2HH2 ARG 68 2HH2 ARG 68 2.870 9.921 23.188 585 H TYR 69 H TYR 69 10.612 12.464 19.233 586 HA TYR 69 HA TYR 69 9.860 11.129 16.782 587 1HB TYR 69 2HB TYR 69 12.158 11.883 17.834 588 2HB TYR 69 1HB TYR 69 12.120 10.284 18.574 589 HD1 TYR 69 1HD TYR 69 13.752 11.756 16.108 590 HD2 TYR 69 2HD TYR 69 10.811 8.650 16.512 591 HE1 TYR 69 1HE TYR 69 14.518 10.754 13.974 592 HE2 TYR 69 2HE TYR 69 11.578 7.647 14.378 593 HH TYR 69 HH TYR 69 14.186 7.914 13.055 594 H LEU 70 H LEU 70 8.371 9.480 16.810 595 HA LEU 70 HA LEU 70 8.850 7.157 18.564 596 1HB LEU 70 2HB LEU 70 7.237 9.193 19.443 597 2HB LEU 70 1HB LEU 70 6.073 8.135 18.648 598 HG LEU 70 HG LEU 70 6.366 7.557 21.051 599 1HD1 LEU 70 1HD1 LEU 70 5.686 5.766 19.599 600 2HD1 LEU 70 2HD1 LEU 70 6.949 5.117 20.644 601 3HD1 LEU 70 3HD1 LEU 70 7.326 5.565 18.980 602 1HD2 LEU 70 1HD2 LEU 70 9.132 6.592 20.343 603 2HD2 LEU 70 2HD2 LEU 70 8.440 6.885 21.938 604 3HD2 LEU 70 3HD2 LEU 70 8.881 8.245 20.905 605 H GLY 71 H GLY 71 8.955 7.547 15.765 606 1HA GLY 71 2HA GLY 71 7.269 5.373 14.869 607 2HA GLY 71 1HA GLY 71 6.705 6.921 14.236 608 H LYS 72 H LYS 72 8.674 4.347 13.536 609 HA LYS 72 HA LYS 72 10.652 5.963 11.993 610 1HB LYS 72 2HB LYS 72 10.423 3.026 12.726 611 2HB LYS 72 1HB LYS 72 11.746 3.706 11.777 612 1HG LYS 72 2HG LYS 72 12.736 4.632 13.598 613 2HG LYS 72 1HG LYS 72 11.196 5.162 14.277 614 1HD LYS 72 2HD LYS 72 12.175 3.479 15.745 615 2HD LYS 72 1HD LYS 72 10.740 2.806 14.971 616 1HE LYS 72 2HE LYS 72 13.124 2.364 13.345 617 2HE LYS 72 1HE LYS 72 13.281 1.647 14.960 618 1HZ LYS 72 1HZ LYS 72 10.966 0.796 14.656 619 2HZ LYS 72 2HZ LYS 72 12.117 0.085 13.628 620 3HZ LYS 72 3HZ LYS 72 11.059 1.271 13.030 621 H ARG 73 H ARG 73 9.782 6.508 10.005 622 HA ARG 73 HA ARG 73 7.722 5.433 8.537 623 1HB ARG 73 2HB ARG 73 8.877 7.357 7.750 624 2HB ARG 73 1HB ARG 73 10.426 6.514 7.727 625 1HG ARG 73 2HG ARG 73 8.482 5.140 6.069 626 2HG ARG 73 1HG ARG 73 8.656 6.823 5.569 627 1HD ARG 73 2HD ARG 73 11.252 5.647 6.173 628 2HD ARG 73 1HD ARG 73 10.401 4.733 4.911 629 HE ARG 73 HE ARG 73 10.226 7.634 4.569 630 1HH1 ARG 73 1HH1 ARG 73 12.327 4.937 4.222 631 2HH1 ARG 73 2HH1 ARG 73 12.981 5.465 2.708 632 1HH2 ARG 73 1HH2 ARG 73 10.929 8.252 2.492 633 2HH2 ARG 73 2HH2 ARG 73 12.189 7.342 1.727 634 HA PRO 74 HA PRO 74 9.538 1.314 8.014 635 1HB PRO 74 2HB PRO 74 7.159 -0.009 7.969 636 2HB PRO 74 1HB PRO 74 7.956 0.477 9.478 637 1HG PRO 74 2HG PRO 74 5.621 1.658 8.111 638 2HG PRO 74 1HG PRO 74 6.014 1.600 9.834 639 1HD PRO 74 2HD PRO 74 6.336 3.805 8.143 640 2HD PRO 74 1HD PRO 74 7.049 3.612 9.757 641 H ASP 75 H ASP 75 8.283 -0.507 6.408 642 HA ASP 75 HA ASP 75 7.960 0.929 3.806 643 1HB ASP 75 2HB ASP 75 9.647 -1.232 4.747 644 2HB ASP 75 1HB ASP 75 8.633 -1.794 3.416 645 H ARG 76 H ARG 76 5.671 1.064 4.099 646 HA ARG 76 HA ARG 76 4.191 -1.528 4.236 647 1HB ARG 76 2HB ARG 76 3.530 0.029 5.923 648 2HB ARG 76 1HB ARG 76 3.502 1.368 4.774 649 1HG ARG 76 2HG ARG 76 1.219 0.466 5.385 650 2HG ARG 76 1HG ARG 76 1.565 0.468 3.657 651 1HD ARG 76 2HD ARG 76 1.256 -1.773 3.572 652 2HD ARG 76 1HD ARG 76 2.496 -2.011 4.820 653 HE ARG 76 HE ARG 76 -0.390 -1.472 5.389 654 1HH1 ARG 76 1HH2 ARG 76 1.872 -0.755 7.402 655 2HH1 ARG 76 2HH2 ARG 76 1.788 -2.130 8.451 656 1HH2 ARG 76 1HH1 ARG 76 -0.125 -4.017 6.259 657 2HH2 ARG 76 2HH1 ARG 76 0.656 -3.978 7.804 658 H LYS 77 H LYS 77 2.793 -2.116 2.559 659 HA LYS 77 HA LYS 77 2.731 -0.298 0.172 660 1HB LYS 77 2HB LYS 77 2.888 -2.324 -1.180 661 2HB LYS 77 1HB LYS 77 4.195 -2.334 0.003 662 1HG LYS 77 2HG LYS 77 3.023 -3.883 1.412 663 2HG LYS 77 1HG LYS 77 1.540 -3.710 0.471 664 1HD LYS 77 2HD LYS 77 4.108 -4.726 -0.755 665 2HD LYS 77 1HD LYS 77 2.940 -5.805 0.004 666 1HE LYS 77 2HE LYS 77 1.304 -4.301 -1.611 667 2HE LYS 77 1HE LYS 77 2.779 -4.416 -2.591 668 1HZ LYS 77 1HZ LYS 77 1.629 -6.387 -3.045 669 2HZ LYS 77 2HZ LYS 77 1.175 -6.613 -1.423 670 3HZ LYS 77 3HZ LYS 77 2.789 -6.847 -1.896 671 H LYS 78 H LYS 78 0.698 -0.030 -0.791 672 HA LYS 78 HA LYS 78 -1.598 -1.225 0.680 673 1HB LYS 78 2HB LYS 78 -2.839 0.650 -0.300 674 2HB LYS 78 1HB LYS 78 -1.354 1.251 0.438 675 1HG LYS 78 2HG LYS 78 -0.252 1.363 -1.713 676 2HG LYS 78 1HG LYS 78 -1.610 0.559 -2.502 677 1HD LYS 78 2HD LYS 78 -2.474 2.604 -2.893 678 2HD LYS 78 1HD LYS 78 -2.753 2.737 -1.156 679 1HE LYS 78 2HE LYS 78 -0.376 3.597 -0.931 680 2HE LYS 78 1HE LYS 78 -0.321 3.683 -2.703 681 1HZ LYS 78 1HZ LYS 78 -2.030 5.220 -2.774 682 2HZ LYS 78 2HZ LYS 78 -1.165 5.725 -1.401 683 3HZ LYS 78 3HZ LYS 78 -2.598 4.830 -1.224 684 H ALA 79 H ALA 79 -3.319 -2.275 -0.524 685 HA ALA 79 HA ALA 79 -2.486 -3.209 -3.251 686 1HB ALA 79 1HB ALA 79 -2.858 -4.674 -1.049 687 2HB ALA 79 2HB ALA 79 -3.241 -5.278 -2.665 688 3HB ALA 79 3HB ALA 79 -4.524 -4.620 -1.637 689 H ILE 80 H ILE 80 -3.717 -2.371 -4.869 690 HA ILE 80 HA ILE 80 -6.489 -1.472 -4.278 691 HB ILE 80 HB ILE 80 -4.767 -1.166 -6.748 692 1HG1 ILE 80 2HG1 ILE 80 -5.094 0.581 -4.294 693 2HG1 ILE 80 1HG1 ILE 80 -3.601 -0.129 -4.912 694 1HG2 ILE 80 1HG2 ILE 80 -7.258 0.257 -5.761 695 2HG2 ILE 80 2HG2 ILE 80 -7.138 -0.792 -7.173 696 3HG2 ILE 80 3HG2 ILE 80 -6.307 0.764 -7.158 697 1HD1 ILE 80 1HD1 ILE 80 -3.801 1.213 -6.963 698 2HD1 ILE 80 2HD1 ILE 80 -3.774 2.251 -5.534 699 3HD1 ILE 80 3HD1 ILE 80 -5.302 1.919 -6.354 700 H VAL 81 H VAL 81 -7.953 -3.159 -4.531 701 HA VAL 81 HA VAL 81 -7.459 -5.134 -6.717 702 HB VAL 81 HB VAL 81 -9.359 -5.130 -4.349 703 1HG1 VAL 81 1HG1 VAL 81 -9.577 -6.622 -6.619 704 2HG1 VAL 81 2HG1 VAL 81 -10.094 -7.182 -5.028 705 3HG1 VAL 81 3HG1 VAL 81 -8.514 -7.649 -5.657 706 1HG2 VAL 81 1HG2 VAL 81 -6.540 -5.505 -4.488 707 2HG2 VAL 81 2HG2 VAL 81 -7.263 -7.093 -4.223 708 3HG2 VAL 81 3HG2 VAL 81 -7.596 -5.773 -3.101 709 H GLN 82 H GLN 82 -8.803 -5.145 -8.519 710 HA GLN 82 HA GLN 82 -11.079 -3.212 -8.517 711 1HB GLN 82 2HB GLN 82 -9.137 -3.260 -10.221 712 2HB GLN 82 1HB GLN 82 -9.878 -4.724 -10.838 713 1HG GLN 82 2HG GLN 82 -11.235 -3.441 -12.075 714 2HG GLN 82 1HG GLN 82 -11.985 -2.907 -10.575 715 1HE2 GLN 82 1HE2 GLN 82 -12.285 -0.756 -11.665 716 2HE2 GLN 82 2HE2 GLN 82 -10.975 0.321 -11.748 717 H VAL 83 H VAL 83 -13.146 -3.979 -9.299 718 HA VAL 83 HA VAL 83 -13.330 -6.951 -9.314 719 HB VAL 83 HB VAL 83 -15.351 -6.825 -8.109 720 1HG1 VAL 83 1HG1 VAL 83 -14.810 -5.567 -6.116 721 2HG1 VAL 83 2HG1 VAL 83 -13.743 -4.495 -7.024 722 3HG1 VAL 83 3HG1 VAL 83 -13.300 -6.185 -6.785 723 1HG2 VAL 83 1HG2 VAL 83 -16.603 -4.729 -7.787 724 2HG2 VAL 83 2HG2 VAL 83 -16.372 -5.066 -9.507 725 3HG2 VAL 83 3HG2 VAL 83 -15.375 -3.847 -8.700 726 H ALA 84 H ALA 84 -14.975 -7.795 -10.731 727 HA ALA 84 HA ALA 84 -15.036 -6.550 -13.300 728 1HB ALA 84 1HB ALA 84 -17.142 -8.349 -13.154 729 2HB ALA 84 2HB ALA 84 -16.040 -8.893 -11.889 730 3HB ALA 84 3HB ALA 84 -15.470 -8.746 -13.557 731 HA PRO 85 HA PRO 85 -18.613 -4.025 -13.201 732 1HB PRO 85 2HB PRO 85 -20.059 -4.809 -15.389 733 2HB PRO 85 1HB PRO 85 -18.541 -3.915 -15.508 734 1HG PRO 85 2HG PRO 85 -19.060 -6.774 -15.914 735 2HG PRO 85 1HG PRO 85 -17.928 -5.711 -16.741 736 1HD PRO 85 2HD PRO 85 -17.214 -7.512 -14.785 737 2HD PRO 85 1HD PRO 85 -16.281 -6.068 -15.201 738 H GLY 86 H GLY 86 -20.595 -4.009 -12.164 739 1HA GLY 86 2HA GLY 86 -22.820 -4.961 -11.758 740 2HA GLY 86 1HA GLY 86 -22.134 -6.561 -12.040 741 H GLN 87 H GLN 87 -19.724 -5.955 -10.403 742 HA GLN 87 HA GLN 87 -21.021 -6.233 -7.716 743 1HB GLN 87 2HB GLN 87 -18.770 -7.358 -7.220 744 2HB GLN 87 1HB GLN 87 -19.819 -8.197 -8.359 745 1HG GLN 87 2HG GLN 87 -18.037 -6.211 -9.604 746 2HG GLN 87 1HG GLN 87 -17.196 -7.563 -8.845 747 1HE2 GLN 87 1HE2 GLN 87 -18.496 -9.796 -9.366 748 2HE2 GLN 87 2HE2 GLN 87 -18.873 -9.998 -11.009 749 H LYS 88 H LYS 88 -19.355 -5.557 -5.917 750 HA LYS 88 HA LYS 88 -17.407 -3.516 -6.411 751 1HB LYS 88 2HB LYS 88 -18.935 -1.605 -5.588 752 2HB LYS 88 1HB LYS 88 -19.193 -2.172 -7.238 753 1HG LYS 88 2HG LYS 88 -21.094 -3.479 -6.588 754 2HG LYS 88 1HG LYS 88 -20.742 -3.253 -4.874 755 1HD LYS 88 2HD LYS 88 -21.607 -1.128 -4.835 756 2HD LYS 88 1HD LYS 88 -21.104 -0.782 -6.490 757 1HE LYS 88 2HE LYS 88 -22.995 -1.811 -7.421 758 2HE LYS 88 1HE LYS 88 -23.279 -2.807 -5.979 759 1HZ LYS 88 1HZ LYS 88 -23.350 0.146 -5.854 760 2HZ LYS 88 2HZ LYS 88 -24.005 -0.976 -4.758 761 3HZ LYS 88 3HZ LYS 88 -24.732 -0.743 -6.276 762 H ILE 89 H ILE 89 -16.241 -4.292 -4.640 763 HA ILE 89 HA ILE 89 -17.070 -5.342 -2.228 764 HB ILE 89 HB ILE 89 -14.842 -3.350 -2.762 765 1HG1 ILE 89 2HG1 ILE 89 -15.091 -6.359 -2.981 766 2HG1 ILE 89 1HG1 ILE 89 -14.599 -5.218 -4.232 767 1HG2 ILE 89 1HG2 ILE 89 -14.287 -5.345 -0.745 768 2HG2 ILE 89 2HG2 ILE 89 -15.730 -4.432 -0.308 769 3HG2 ILE 89 3HG2 ILE 89 -14.211 -3.589 -0.613 770 1HD1 ILE 89 1HD1 ILE 89 -12.652 -4.640 -2.579 771 2HD1 ILE 89 2HD1 ILE 89 -12.544 -6.111 -3.546 772 3HD1 ILE 89 3HD1 ILE 89 -13.039 -6.202 -1.857 773 H GLU 90 H GLU 90 -18.912 -4.471 -1.263 774 HA GLU 90 HA GLU 90 -19.527 -1.700 -0.971 775 1HB GLU 90 2HB GLU 90 -20.312 -4.121 0.682 776 2HB GLU 90 1HB GLU 90 -21.168 -2.579 0.666 777 1HG GLU 90 2HG GLU 90 -20.731 -3.603 -2.030 778 2HG GLU 90 1HG GLU 90 -21.648 -4.737 -1.036 779 H ALA 91 H ALA 91 -17.195 -3.629 0.670 780 HA ALA 91 HA ALA 91 -17.182 -2.588 3.290 781 1HB ALA 91 1HB ALA 91 -15.747 -4.396 2.665 782 2HB ALA 91 2HB ALA 91 -14.668 -3.058 3.060 783 3HB ALA 91 3HB ALA 91 -15.005 -3.451 1.374 784 H LEU 92 H LEU 92 -16.006 -1.125 0.285 785 HA LEU 92 HA LEU 92 -15.091 1.275 1.828 786 1HB LEU 92 2HB LEU 92 -14.632 1.020 -1.104 787 2HB LEU 92 1HB LEU 92 -13.530 1.569 0.155 788 HG LEU 92 HG LEU 92 -14.283 -1.289 -0.498 789 1HD1 LEU 92 1HD1 LEU 92 -11.460 -0.588 -0.295 790 2HD1 LEU 92 2HD1 LEU 92 -12.289 0.393 -1.504 791 3HD1 LEU 92 3HD1 LEU 92 -12.324 -1.366 -1.620 792 1HD2 LEU 92 1HD2 LEU 92 -13.950 -1.657 1.717 793 2HD2 LEU 92 2HD2 LEU 92 -13.278 -0.044 1.966 794 3HD2 LEU 92 3HD2 LEU 92 -12.246 -1.349 1.378 795 H GLU 93 H GLU 93 -17.454 0.104 -0.438 796 HA GLU 93 HA GLU 93 -18.303 2.358 -1.814 797 1HB GLU 93 2HB GLU 93 -19.794 0.087 -0.485 798 2HB GLU 93 1HB GLU 93 -20.607 1.250 -1.531 799 1HG GLU 93 2HG GLU 93 -18.161 -0.312 -2.390 800 2HG GLU 93 1HG GLU 93 -19.810 -0.859 -2.696 801 H GLY 94 H GLY 94 -19.636 1.353 1.367 802 1HA GLY 94 2HA GLY 94 -20.911 3.941 1.758 803 2HA GLY 94 1HA GLY 94 -20.840 2.635 2.941 804 H LEU 95 H LEU 95 -17.922 2.401 2.839 805 HA LEU 95 HA LEU 95 -17.055 3.919 4.966 806 1HB LEU 95 2HB LEU 95 -15.942 2.181 3.225 807 2HB LEU 95 1HB LEU 95 -15.169 3.667 2.674 808 HG LEU 95 HG LEU 95 -14.348 4.122 4.927 809 1HD1 LEU 95 1HD1 LEU 95 -14.843 1.699 6.290 810 2HD1 LEU 95 2HD1 LEU 95 -16.393 2.197 5.614 811 3HD1 LEU 95 3HD1 LEU 95 -15.501 3.290 6.673 812 1HD2 LEU 95 1HD2 LEU 95 -12.667 2.865 4.025 813 2HD2 LEU 95 2HD2 LEU 95 -13.767 1.583 3.518 814 3HD2 LEU 95 3HD2 LEU 95 -13.207 1.655 5.188 815 H ILE 96 H ILE 96 -17.546 5.046 1.672 816 HA ILE 96 HA ILE 96 -16.041 7.407 1.580 817 HB ILE 96 HB ILE 96 -18.830 6.720 0.611 818 1HG1 ILE 96 2HG1 ILE 96 -16.122 6.815 -0.760 819 2HG1 ILE 96 1HG1 ILE 96 -16.978 5.350 -0.280 820 1HG2 ILE 96 1HG2 ILE 96 -17.075 9.005 -0.327 821 2HG2 ILE 96 2HG2 ILE 96 -18.422 9.209 0.792 822 3HG2 ILE 96 3HG2 ILE 96 -18.718 8.637 -0.850 823 1HD1 ILE 96 1HD1 ILE 96 -18.302 5.419 -2.107 824 2HD1 ILE 96 2HD1 ILE 96 -17.211 6.655 -2.734 825 3HD1 ILE 96 3HD1 ILE 96 -18.669 7.126 -1.859 Start of MODEL 13 1 1H MET 1 1HT MET 1 -5.987 -20.255 6.231 2 2H MET 1 2HT MET 1 -5.030 -18.922 6.673 3 3H MET 1 3HT MET 1 -4.394 -20.131 5.663 4 HA MET 1 HA MET 1 -5.575 -19.425 3.816 5 1HB MET 1 2HB MET 1 -7.625 -19.477 5.520 6 2HB MET 1 1HB MET 1 -7.395 -17.726 5.489 7 1HG MET 1 2HG MET 1 -8.848 -17.971 3.703 8 2HG MET 1 1HG MET 1 -7.303 -18.123 2.866 9 1HE MET 1 1HE MET 1 -10.617 -19.301 3.042 10 2HE MET 1 2HE MET 1 -10.504 -20.710 1.991 11 3HE MET 1 3HE MET 1 -9.837 -19.169 1.460 12 H LYS 2 H LYS 2 -3.784 -18.116 3.205 13 HA LYS 2 HA LYS 2 -3.269 -15.592 4.621 14 1HB LYS 2 2HB LYS 2 -2.088 -16.037 1.942 15 2HB LYS 2 1HB LYS 2 -1.309 -15.566 3.434 16 1HG LYS 2 2HG LYS 2 -1.943 -18.079 4.117 17 2HG LYS 2 1HG LYS 2 -1.843 -18.299 2.369 18 1HD LYS 2 2HD LYS 2 0.418 -17.578 2.298 19 2HD LYS 2 1HD LYS 2 0.331 -16.887 3.919 20 1HE LYS 2 2HE LYS 2 0.651 -18.919 4.943 21 2HE LYS 2 1HE LYS 2 -0.261 -19.800 3.702 22 1HZ LYS 2 1HZ LYS 2 2.199 -18.461 2.873 23 2HZ LYS 2 2HZ LYS 2 1.523 -19.920 2.326 24 3HZ LYS 2 3HZ LYS 2 2.370 -19.872 3.798 25 H THR 3 H THR 3 -5.489 -14.789 4.277 26 HA THR 3 HA THR 3 -5.857 -13.617 1.543 27 HB THR 3 HB THR 3 -8.330 -13.647 2.612 28 HG1 THR 3 1HG THR 3 -7.145 -15.980 3.665 29 1HG2 THR 3 1HG2 THR 3 -6.774 -15.800 1.197 30 2HG2 THR 3 2HG2 THR 3 -7.985 -14.699 0.541 31 3HG2 THR 3 3HG2 THR 3 -8.479 -16.030 1.585 32 H ALA 4 H ALA 4 -7.780 -12.874 4.378 33 HA ALA 4 HA ALA 4 -7.012 -10.021 4.177 34 1HB ALA 4 1HB ALA 4 -9.179 -11.725 5.297 35 2HB ALA 4 2HB ALA 4 -9.294 -10.186 4.439 36 3HB ALA 4 3HB ALA 4 -8.869 -10.212 6.152 37 H TYR 5 H TYR 5 -6.684 -12.778 6.296 38 HA TYR 5 HA TYR 5 -5.970 -12.039 8.798 39 1HB TYR 5 2HB TYR 5 -4.455 -13.920 8.714 40 2HB TYR 5 1HB TYR 5 -5.715 -14.256 7.521 41 HD1 TYR 5 1HD TYR 5 -2.260 -14.353 7.948 42 HD2 TYR 5 2HD TYR 5 -5.209 -12.943 5.176 43 HE1 TYR 5 1HE TYR 5 -0.555 -14.296 6.141 44 HE2 TYR 5 2HE TYR 5 -3.545 -12.863 3.385 45 HH TYR 5 HH TYR 5 -0.211 -14.038 3.951 46 H ASP 6 H ASP 6 -4.126 -11.111 5.908 47 HA ASP 6 HA ASP 6 -2.448 -9.287 7.501 48 1HB ASP 6 2HB ASP 6 -1.442 -11.561 7.694 49 2HB ASP 6 1HB ASP 6 -1.354 -11.657 5.930 50 H VAL 7 H VAL 7 -2.376 -10.954 4.327 51 HA VAL 7 HA VAL 7 -1.232 -9.034 2.710 52 HB VAL 7 HB VAL 7 -3.766 -10.588 2.063 53 1HG1 VAL 7 1HG1 VAL 7 -2.103 -8.834 0.539 54 2HG1 VAL 7 2HG1 VAL 7 -3.501 -9.758 0.000 55 3HG1 VAL 7 3HG1 VAL 7 -1.894 -10.474 -0.071 56 1HG2 VAL 7 1HG2 VAL 7 -1.154 -11.663 1.238 57 2HG2 VAL 7 2HG2 VAL 7 -2.565 -12.496 1.886 58 3HG2 VAL 7 3HG2 VAL 7 -1.434 -11.689 2.976 59 H ILE 8 H ILE 8 -4.770 -9.281 2.915 60 HA ILE 8 HA ILE 8 -4.894 -6.308 2.618 61 HB ILE 8 HB ILE 8 -6.987 -8.390 1.947 62 1HG1 ILE 8 2HG1 ILE 8 -4.637 -7.402 0.311 63 2HG1 ILE 8 1HG1 ILE 8 -5.066 -9.069 0.700 64 1HG2 ILE 8 1HG2 ILE 8 -7.289 -5.730 2.052 65 2HG2 ILE 8 2HG2 ILE 8 -8.031 -6.665 0.754 66 3HG2 ILE 8 3HG2 ILE 8 -6.511 -5.811 0.468 67 1HD1 ILE 8 1HD1 ILE 8 -7.172 -8.796 -0.605 68 2HD1 ILE 8 2HD1 ILE 8 -5.729 -8.587 -1.596 69 3HD1 ILE 8 3HD1 ILE 8 -6.645 -7.177 -1.064 70 H LEU 9 H LEU 9 -5.037 -5.695 4.823 71 HA LEU 9 HA LEU 9 -6.956 -7.094 6.597 72 1HB LEU 9 2HB LEU 9 -4.950 -4.850 6.973 73 2HB LEU 9 1HB LEU 9 -5.915 -5.538 8.279 74 HG LEU 9 HG LEU 9 -4.145 -7.229 6.502 75 1HD1 LEU 9 1HD1 LEU 9 -2.624 -5.729 7.565 76 2HD1 LEU 9 2HD1 LEU 9 -2.608 -7.191 8.552 77 3HD1 LEU 9 3HD1 LEU 9 -3.523 -5.780 9.083 78 1HD2 LEU 9 1HD2 LEU 9 -5.138 -7.736 9.314 79 2HD2 LEU 9 2HD2 LEU 9 -4.461 -8.902 8.178 80 3HD2 LEU 9 3HD2 LEU 9 -6.060 -8.217 7.891 81 H ALA 10 H ALA 10 -6.441 -3.673 7.002 82 HA ALA 10 HA ALA 10 -9.354 -3.215 6.717 83 1HB ALA 10 1HB ALA 10 -8.940 -1.767 8.402 84 2HB ALA 10 2HB ALA 10 -7.719 -0.927 7.443 85 3HB ALA 10 3HB ALA 10 -7.273 -2.343 8.396 86 HA PRO 11 HA PRO 11 -8.969 -1.136 2.864 87 1HB PRO 11 2HB PRO 11 -11.114 0.551 3.030 88 2HB PRO 11 1HB PRO 11 -11.281 -1.197 2.778 89 1HG PRO 11 2HG PRO 11 -11.648 0.400 5.253 90 2HG PRO 11 1HG PRO 11 -12.528 -1.026 4.687 91 1HD PRO 11 2HD PRO 11 -10.573 -1.070 6.621 92 2HD PRO 11 1HD PRO 11 -11.043 -2.470 5.632 93 H VAL 12 H VAL 12 -8.434 1.000 1.968 94 HA VAL 12 HA VAL 12 -7.487 2.931 4.060 95 HB VAL 12 HB VAL 12 -5.622 1.997 2.933 96 1HG1 VAL 12 1HG1 VAL 12 -7.490 2.005 0.614 97 2HG1 VAL 12 2HG1 VAL 12 -6.340 0.771 1.128 98 3HG1 VAL 12 3HG1 VAL 12 -5.774 2.197 0.257 99 1HG2 VAL 12 1HG2 VAL 12 -4.628 3.869 1.947 100 2HG2 VAL 12 2HG2 VAL 12 -5.944 4.610 2.858 101 3HG2 VAL 12 3HG2 VAL 12 -6.113 4.345 1.121 102 H LEU 13 H LEU 13 -8.764 4.737 4.093 103 HA LEU 13 HA LEU 13 -10.184 5.551 1.598 104 1HB LEU 13 2HB LEU 13 -10.489 6.307 4.523 105 2HB LEU 13 1HB LEU 13 -11.527 6.891 3.224 106 HG LEU 13 HG LEU 13 -12.701 5.046 4.149 107 1HD1 LEU 13 1HD1 LEU 13 -12.866 3.547 2.319 108 2HD1 LEU 13 2HD1 LEU 13 -11.162 3.737 1.904 109 3HD1 LEU 13 3HD1 LEU 13 -12.296 5.054 1.601 110 1HD2 LEU 13 1HD2 LEU 13 -10.351 4.254 5.186 111 2HD2 LEU 13 2HD2 LEU 13 -10.444 3.119 3.839 112 3HD2 LEU 13 3HD2 LEU 13 -11.728 3.162 5.048 113 H SER 14 H SER 14 -8.844 6.914 0.428 114 HA SER 14 HA SER 14 -7.868 9.366 1.815 115 1HB SER 14 2HB SER 14 -6.302 7.136 0.689 116 2HB SER 14 1HB SER 14 -5.787 8.725 0.128 117 HG SER 14 HG SER 14 -4.757 8.142 2.079 118 H GLU 15 H GLU 15 -7.588 11.154 0.345 119 HA GLU 15 HA GLU 15 -9.407 11.562 -1.691 120 1HB GLU 15 2HB GLU 15 -7.285 12.897 -0.567 121 2HB GLU 15 1HB GLU 15 -6.725 12.674 -2.225 122 1HG GLU 15 2HG GLU 15 -9.107 13.506 -2.888 123 2HG GLU 15 1HG GLU 15 -9.166 14.135 -1.241 124 H LYS 16 H LYS 16 -5.982 10.764 -2.414 125 HA LYS 16 HA LYS 16 -6.310 10.188 -5.139 126 1HB LYS 16 2HB LYS 16 -4.370 9.826 -3.015 127 2HB LYS 16 1HB LYS 16 -4.337 8.454 -4.123 128 1HG LYS 16 2HG LYS 16 -4.567 10.731 -5.762 129 2HG LYS 16 1HG LYS 16 -3.365 11.149 -4.540 130 1HD LYS 16 2HD LYS 16 -1.859 9.623 -5.313 131 2HD LYS 16 1HD LYS 16 -3.107 8.426 -5.663 132 1HE LYS 16 2HE LYS 16 -3.047 8.996 -7.853 133 2HE LYS 16 1HE LYS 16 -3.446 10.674 -7.437 134 1HZ LYS 16 1HZ LYS 16 -1.042 10.853 -6.706 135 2HZ LYS 16 2HZ LYS 16 -1.314 10.780 -8.381 136 3HZ LYS 16 3HZ LYS 16 -0.772 9.404 -7.544 137 H ALA 17 H ALA 17 -7.117 8.241 -2.337 138 HA ALA 17 HA ALA 17 -7.406 5.749 -3.874 139 1HB ALA 17 1HB ALA 17 -7.372 6.679 -1.110 140 2HB ALA 17 2HB ALA 17 -7.006 5.076 -1.748 141 3HB ALA 17 3HB ALA 17 -8.675 5.522 -1.388 142 H TYR 18 H TYR 18 -9.624 7.962 -2.132 143 HA TYR 18 HA TYR 18 -12.064 6.735 -2.842 144 1HB TYR 18 2HB TYR 18 -11.097 9.448 -2.062 145 2HB TYR 18 1HB TYR 18 -12.740 9.334 -2.697 146 HD1 TYR 18 1HD TYR 18 -13.575 6.678 -1.784 147 HD2 TYR 18 2HD TYR 18 -11.352 9.715 0.271 148 HE1 TYR 18 1HE TYR 18 -14.354 5.766 0.388 149 HE2 TYR 18 2HE TYR 18 -12.131 8.813 2.448 150 HH TYR 18 HH TYR 18 -14.108 7.453 3.272 151 H ALA 19 H ALA 19 -10.000 8.921 -4.695 152 HA ALA 19 HA ALA 19 -11.996 9.134 -6.859 153 1HB ALA 19 1HB ALA 19 -9.423 10.187 -7.539 154 2HB ALA 19 2HB ALA 19 -9.743 10.590 -5.853 155 3HB ALA 19 3HB ALA 19 -10.878 11.085 -7.108 156 H GLY 20 H GLY 20 -9.567 6.984 -5.917 157 1HA GLY 20 2HA GLY 20 -9.039 6.094 -8.721 158 2HA GLY 20 1HA GLY 20 -8.032 5.687 -7.329 159 H PHE 21 H PHE 21 -10.268 5.121 -5.579 160 HA PHE 21 HA PHE 21 -10.762 2.357 -6.384 161 1HB PHE 21 2HB PHE 21 -11.067 2.148 -4.123 162 2HB PHE 21 1HB PHE 21 -10.490 3.804 -4.030 163 HD1 PHE 21 1HD PHE 21 -12.339 5.653 -4.478 164 HD2 PHE 21 2HD PHE 21 -13.150 1.632 -3.218 165 HE1 PHE 21 1HE PHE 21 -14.552 6.368 -3.624 166 HE2 PHE 21 2HE PHE 21 -15.362 2.344 -2.362 167 HZ PHE 21 HZ PHE 21 -16.068 4.714 -2.567 168 H ALA 22 H ALA 22 -12.355 5.397 -6.651 169 HA ALA 22 HA ALA 22 -15.071 4.766 -6.664 170 1HB ALA 22 1HB ALA 22 -14.180 6.606 -8.771 171 2HB ALA 22 2HB ALA 22 -13.431 6.907 -7.203 172 3HB ALA 22 3HB ALA 22 -15.188 6.923 -7.358 173 H GLU 23 H GLU 23 -12.630 3.779 -8.898 174 HA GLU 23 HA GLU 23 -14.556 3.201 -11.076 175 1HB GLU 23 2HB GLU 23 -11.963 4.029 -10.985 176 2HB GLU 23 1HB GLU 23 -11.735 2.293 -11.187 177 1HG GLU 23 2HG GLU 23 -11.979 2.798 -13.404 178 2HG GLU 23 1HG GLU 23 -13.698 2.722 -13.009 179 H GLY 24 H GLY 24 -14.248 1.712 -8.305 180 1HA GLY 24 2HA GLY 24 -15.025 -0.510 -7.858 181 2HA GLY 24 1HA GLY 24 -14.514 -0.964 -9.478 182 H LYS 25 H LYS 25 -12.060 0.854 -8.372 183 HA LYS 25 HA LYS 25 -10.335 -1.453 -7.821 184 1HB LYS 25 2HB LYS 25 -10.109 1.529 -8.176 185 2HB LYS 25 1HB LYS 25 -8.735 0.641 -7.520 186 1HG LYS 25 2HG LYS 25 -9.691 -0.850 -9.737 187 2HG LYS 25 1HG LYS 25 -9.607 0.833 -10.254 188 1HD LYS 25 2HD LYS 25 -7.266 0.883 -9.219 189 2HD LYS 25 1HD LYS 25 -7.383 -0.875 -9.127 190 1HE LYS 25 2HE LYS 25 -6.781 -1.017 -11.303 191 2HE LYS 25 1HE LYS 25 -8.209 -0.064 -11.755 192 1HZ LYS 25 1HZ LYS 25 -5.881 1.272 -10.547 193 2HZ LYS 25 2HZ LYS 25 -7.067 1.912 -11.581 194 3HZ LYS 25 3HZ LYS 25 -5.855 0.896 -12.201 195 H TYR 26 H TYR 26 -9.556 -2.021 -5.727 196 HA TYR 26 HA TYR 26 -10.449 -0.230 -3.498 197 1HB TYR 26 2HB TYR 26 -10.511 -3.255 -3.687 198 2HB TYR 26 1HB TYR 26 -10.957 -2.328 -2.254 199 HD1 TYR 26 1HD TYR 26 -12.587 -4.191 -4.382 200 HD2 TYR 26 2HD TYR 26 -12.303 0.006 -3.517 201 HE1 TYR 26 1HE TYR 26 -14.864 -3.845 -5.300 202 HE2 TYR 26 2HE TYR 26 -14.581 0.350 -4.433 203 HH TYR 26 HH TYR 26 -16.341 -2.276 -6.011 204 H THR 27 H THR 27 -8.511 0.648 -2.892 205 HA THR 27 HA THR 27 -6.006 -0.776 -2.761 206 HB THR 27 HB THR 27 -6.799 1.813 -1.416 207 HG1 THR 27 1HG THR 27 -7.400 2.274 -3.400 208 1HG2 THR 27 1HG2 THR 27 -4.240 0.596 -2.441 209 2HG2 THR 27 2HG2 THR 27 -4.583 1.253 -0.841 210 3HG2 THR 27 3HG2 THR 27 -4.394 2.339 -2.217 211 H PHE 28 H PHE 28 -5.076 -1.702 -0.951 212 HA PHE 28 HA PHE 28 -6.601 -1.582 1.626 213 1HB PHE 28 2HB PHE 28 -5.406 -3.975 0.192 214 2HB PHE 28 1HB PHE 28 -6.129 -4.024 1.796 215 HD1 PHE 28 1HD PHE 28 -6.775 -4.796 -1.474 216 HD2 PHE 28 2HD PHE 28 -8.528 -2.626 1.790 217 HE1 PHE 28 1HE PHE 28 -9.023 -5.070 -2.495 218 HE2 PHE 28 2HE PHE 28 -10.773 -2.901 0.772 219 HZ PHE 28 HZ PHE 28 -11.020 -4.123 -1.371 220 H TRP 29 H TRP 29 -5.180 -2.291 3.483 221 HA TRP 29 HA TRP 29 -2.421 -1.271 3.125 222 1HB TRP 29 2HB TRP 29 -4.264 -1.961 5.423 223 2HB TRP 29 1HB TRP 29 -2.535 -1.761 5.707 224 HD1 TRP 29 HD TRP 29 -5.616 0.170 5.639 225 HE1 TRP 29 1HE TRP 29 -5.140 2.696 5.439 226 HE3 TRP 29 3HE TRP 29 -0.690 0.038 4.291 227 HZ2 TRP 29 2HZ TRP 29 -2.960 4.431 4.795 228 HZ3 TRP 29 3HZ TRP 29 0.561 2.140 3.893 229 HH2 TRP 29 HH TRP 29 -0.567 4.334 4.142 230 H VAL 30 H VAL 30 -0.863 -2.811 2.644 231 HA VAL 30 HA VAL 30 -1.396 -5.577 3.608 232 HB VAL 30 HB VAL 30 -2.031 -5.120 1.269 233 1HG1 VAL 30 1HG1 VAL 30 -0.596 -3.519 0.399 234 2HG1 VAL 30 2HG1 VAL 30 0.112 -4.989 -0.268 235 3HG1 VAL 30 3HG1 VAL 30 0.821 -4.238 1.161 236 1HG2 VAL 30 1HG2 VAL 30 0.322 -6.854 0.988 237 2HG2 VAL 30 2HG2 VAL 30 -1.378 -7.164 0.625 238 3HG2 VAL 30 3HG2 VAL 30 -0.800 -7.259 2.285 239 H HIS 31 H HIS 31 0.491 -6.942 3.545 240 HA HIS 31 HA HIS 31 2.836 -5.627 4.717 241 1HB HIS 31 2HB HIS 31 1.493 -8.013 5.010 242 2HB HIS 31 1HB HIS 31 2.903 -8.507 4.075 243 HD1 HIS 31 1HD HIS 31 2.210 -6.329 7.142 244 HD2 HIS 31 2HD HIS 31 5.081 -8.984 5.695 245 HE1 HIS 31 1HE HIS 31 3.955 -6.560 8.963 246 HA PRO 32 HA PRO 32 5.280 -5.519 1.062 247 1HB PRO 32 2HB PRO 32 7.765 -5.791 2.175 248 2HB PRO 32 1HB PRO 32 6.812 -4.303 2.292 249 1HG PRO 32 2HG PRO 32 7.177 -6.467 4.303 250 2HG PRO 32 1HG PRO 32 7.129 -4.711 4.534 251 1HD PRO 32 2HD PRO 32 5.014 -6.328 5.068 252 2HD PRO 32 1HD PRO 32 4.832 -4.641 4.540 253 H LYS 33 H LYS 33 4.153 -7.828 0.886 254 HA LYS 33 HA LYS 33 6.105 -9.711 -0.053 255 1HB LYS 33 2HB LYS 33 5.558 -11.401 1.845 256 2HB LYS 33 1HB LYS 33 6.684 -10.095 2.218 257 1HG LYS 33 2HG LYS 33 5.322 -9.390 3.861 258 2HG LYS 33 1HG LYS 33 4.036 -9.125 2.693 259 1HD LYS 33 2HD LYS 33 4.653 -11.842 3.876 260 2HD LYS 33 1HD LYS 33 3.466 -10.737 4.571 261 1HE LYS 33 2HE LYS 33 2.205 -10.730 2.449 262 2HE LYS 33 1HE LYS 33 3.402 -11.827 1.733 263 1HZ LYS 33 1HZ LYS 33 1.833 -13.287 2.571 264 2HZ LYS 33 2HZ LYS 33 1.514 -12.335 3.941 265 3HZ LYS 33 3HZ LYS 33 2.960 -13.222 3.837 266 H ALA 34 H ALA 34 2.863 -9.136 1.241 267 HA ALA 34 HA ALA 34 1.432 -11.370 0.386 268 1HB ALA 34 1HB ALA 34 0.979 -8.606 1.064 269 2HB ALA 34 2HB ALA 34 -0.131 -9.968 1.215 270 3HB ALA 34 3HB ALA 34 -0.064 -9.048 -0.288 271 H THR 35 H THR 35 2.372 -12.182 -1.602 272 HA THR 35 HA THR 35 3.040 -10.971 -3.968 273 HB THR 35 HB THR 35 1.574 -13.133 -4.834 274 HG1 THR 35 1HG THR 35 1.787 -14.633 -3.088 275 1HG2 THR 35 1HG2 THR 35 3.633 -14.309 -4.783 276 2HG2 THR 35 2HG2 THR 35 4.187 -13.435 -3.355 277 3HG2 THR 35 3HG2 THR 35 4.088 -12.610 -4.910 278 H LYS 36 H LYS 36 2.003 -9.783 -5.551 279 HA LYS 36 HA LYS 36 -0.412 -8.474 -5.296 280 1HB LYS 36 2HB LYS 36 1.490 -8.522 -7.132 281 2HB LYS 36 1HB LYS 36 0.383 -9.619 -7.961 282 1HG LYS 36 2HG LYS 36 -0.944 -7.911 -8.585 283 2HG LYS 36 1HG LYS 36 -1.053 -7.328 -6.924 284 1HD LYS 36 2HD LYS 36 1.118 -6.182 -7.179 285 2HD LYS 36 1HD LYS 36 1.227 -6.760 -8.843 286 1HE LYS 36 2HE LYS 36 -1.195 -5.200 -7.945 287 2HE LYS 36 1HE LYS 36 0.283 -4.356 -8.451 288 1HZ LYS 36 1HZ LYS 36 0.273 -5.830 -10.452 289 2HZ LYS 36 2HZ LYS 36 -1.006 -4.715 -10.398 290 3HZ LYS 36 3HZ LYS 36 -1.280 -6.345 -10.007 291 H THR 37 H THR 37 0.079 -11.713 -6.711 292 HA THR 37 HA THR 37 -2.620 -12.239 -7.449 293 HB THR 37 HB THR 37 -0.653 -14.229 -6.414 294 HG1 THR 37 1HG THR 37 -0.084 -14.093 -8.826 295 1HG2 THR 37 1HG2 THR 37 -1.700 -15.745 -7.851 296 2HG2 THR 37 2HG2 THR 37 -2.369 -14.461 -8.857 297 3HG2 THR 37 3HG2 THR 37 -3.045 -14.772 -7.258 298 H GLU 38 H GLU 38 -0.848 -12.918 -4.436 299 HA GLU 38 HA GLU 38 -2.866 -14.294 -3.017 300 1HB GLU 38 2HB GLU 38 -0.438 -12.706 -2.470 301 2HB GLU 38 1HB GLU 38 -1.574 -12.770 -1.123 302 1HG GLU 38 2HG GLU 38 -1.648 -15.275 -1.409 303 2HG GLU 38 1HG GLU 38 -0.339 -15.119 -2.581 304 H ILE 39 H ILE 39 -2.334 -10.798 -3.427 305 HA ILE 39 HA ILE 39 -4.327 -9.837 -1.644 306 HB ILE 39 HB ILE 39 -3.044 -8.889 -4.206 307 1HG1 ILE 39 2HG1 ILE 39 -2.980 -7.494 -1.552 308 2HG1 ILE 39 1HG1 ILE 39 -2.042 -8.974 -1.752 309 1HG2 ILE 39 1HG2 ILE 39 -4.891 -7.163 -2.547 310 2HG2 ILE 39 2HG2 ILE 39 -5.460 -8.026 -3.976 311 3HG2 ILE 39 3HG2 ILE 39 -4.194 -6.809 -4.126 312 1HD1 ILE 39 1HD1 ILE 39 -1.853 -6.848 -3.854 313 2HD1 ILE 39 2HD1 ILE 39 -0.650 -8.039 -3.361 314 3HD1 ILE 39 3HD1 ILE 39 -0.969 -6.634 -2.343 315 H LYS 40 H LYS 40 -4.531 -11.206 -4.876 316 HA LYS 40 HA LYS 40 -7.196 -10.432 -5.560 317 1HB LYS 40 2HB LYS 40 -5.418 -11.484 -7.013 318 2HB LYS 40 1HB LYS 40 -5.707 -13.006 -6.173 319 1HG LYS 40 2HG LYS 40 -8.230 -12.490 -6.819 320 2HG LYS 40 1HG LYS 40 -7.465 -11.554 -8.104 321 1HD LYS 40 2HD LYS 40 -6.009 -13.894 -8.140 322 2HD LYS 40 1HD LYS 40 -7.634 -14.468 -7.762 323 1HE LYS 40 2HE LYS 40 -8.531 -13.668 -9.773 324 2HE LYS 40 1HE LYS 40 -7.238 -12.468 -9.982 325 1HZ LYS 40 1HZ LYS 40 -6.726 -15.386 -9.945 326 2HZ LYS 40 2HZ LYS 40 -5.672 -14.148 -10.437 327 3HZ LYS 40 3HZ LYS 40 -7.030 -14.538 -11.381 328 H ASN 41 H ASN 41 -5.936 -13.343 -3.945 329 HA ASN 41 HA ASN 41 -8.541 -14.504 -3.437 330 1HB ASN 41 2HB ASN 41 -5.713 -14.959 -2.473 331 2HB ASN 41 1HB ASN 41 -7.057 -15.945 -1.899 332 1HD2 ASN 41 1HD2 ASN 41 -5.226 -15.047 -4.828 333 2HD2 ASN 41 2HD2 ASN 41 -5.740 -16.373 -5.754 334 H ALA 42 H ALA 42 -6.332 -12.442 -1.543 335 HA ALA 42 HA ALA 42 -7.545 -12.765 0.993 336 1HB ALA 42 1HB ALA 42 -6.128 -10.442 -0.328 337 2HB ALA 42 2HB ALA 42 -5.420 -11.652 0.749 338 3HB ALA 42 3HB ALA 42 -6.554 -10.453 1.386 339 H VAL 43 H VAL 43 -8.295 -10.278 -1.491 340 HA VAL 43 HA VAL 43 -10.505 -9.185 0.019 341 HB VAL 43 HB VAL 43 -11.117 -8.311 -2.348 342 1HG1 VAL 43 1HG1 VAL 43 -8.527 -7.228 -2.132 343 2HG1 VAL 43 2HG1 VAL 43 -9.003 -7.667 -0.491 344 3HG1 VAL 43 3HG1 VAL 43 -10.017 -6.582 -1.442 345 1HG2 VAL 43 1HG2 VAL 43 -9.270 -10.299 -3.079 346 2HG2 VAL 43 2HG2 VAL 43 -8.415 -8.775 -3.303 347 3HG2 VAL 43 3HG2 VAL 43 -9.950 -9.055 -4.125 348 H GLU 44 H GLU 44 -10.259 -11.730 -2.456 349 HA GLU 44 HA GLU 44 -13.072 -12.130 -2.853 350 1HB GLU 44 2HB GLU 44 -10.499 -13.516 -3.339 351 2HB GLU 44 1HB GLU 44 -11.900 -14.583 -3.230 352 1HG GLU 44 2HG GLU 44 -12.369 -12.159 -4.834 353 2HG GLU 44 1HG GLU 44 -11.142 -13.235 -5.503 354 H THR 45 H THR 45 -10.726 -13.545 -0.588 355 HA THR 45 HA THR 45 -12.709 -15.210 0.757 356 HB THR 45 HB THR 45 -9.847 -14.692 0.725 357 HG1 THR 45 1HG THR 45 -10.363 -16.635 0.058 358 1HG2 THR 45 1HG2 THR 45 -10.092 -13.985 3.008 359 2HG2 THR 45 2HG2 THR 45 -9.520 -15.653 3.056 360 3HG2 THR 45 3HG2 THR 45 -11.223 -15.294 3.343 361 H ALA 46 H ALA 46 -11.556 -11.955 0.994 362 HA ALA 46 HA ALA 46 -12.646 -11.635 3.744 363 1HB ALA 46 1HB ALA 46 -10.349 -10.828 2.906 364 2HB ALA 46 2HB ALA 46 -11.329 -9.649 3.778 365 3HB ALA 46 3HB ALA 46 -11.239 -9.592 2.018 366 H PHE 47 H PHE 47 -12.696 -9.586 0.802 367 HA PHE 47 HA PHE 47 -15.199 -8.326 1.535 368 1HB PHE 47 2HB PHE 47 -13.516 -8.448 -0.981 369 2HB PHE 47 1HB PHE 47 -14.932 -7.407 -0.817 370 HD1 PHE 47 1HD PHE 47 -14.975 -5.974 1.443 371 HD2 PHE 47 2HD PHE 47 -11.441 -7.554 -0.417 372 HE1 PHE 47 1HE PHE 47 -13.597 -4.283 2.623 373 HE2 PHE 47 2HE PHE 47 -10.063 -5.864 0.762 374 HZ PHE 47 HZ PHE 47 -11.141 -4.227 2.283 375 H LYS 48 H LYS 48 -14.360 -11.202 -0.238 376 HA LYS 48 HA LYS 48 -15.728 -12.860 -1.209 377 1HB LYS 48 2HB LYS 48 -18.019 -11.263 -0.041 378 2HB LYS 48 1HB LYS 48 -17.947 -13.003 -0.320 379 1HG LYS 48 2HG LYS 48 -15.730 -12.356 1.324 380 2HG LYS 48 1HG LYS 48 -17.127 -11.526 2.010 381 1HD LYS 48 2HD LYS 48 -17.811 -14.223 1.158 382 2HD LYS 48 1HD LYS 48 -16.489 -14.233 2.325 383 1HE LYS 48 2HE LYS 48 -17.845 -13.555 4.031 384 2HE LYS 48 1HE LYS 48 -18.684 -12.373 3.006 385 1HZ LYS 48 1HZ LYS 48 -20.058 -14.343 3.677 386 2HZ LYS 48 2HZ LYS 48 -19.032 -15.306 2.724 387 3HZ LYS 48 3HZ LYS 48 -19.961 -14.078 2.005 388 H VAL 49 H VAL 49 -14.924 -10.811 -2.890 389 HA VAL 49 HA VAL 49 -17.356 -10.307 -4.554 390 HB VAL 49 HB VAL 49 -15.832 -8.475 -3.272 391 1HG1 VAL 49 1HG1 VAL 49 -14.685 -8.172 -6.000 392 2HG1 VAL 49 2HG1 VAL 49 -13.935 -9.371 -4.948 393 3HG1 VAL 49 3HG1 VAL 49 -14.024 -7.686 -4.440 394 1HG2 VAL 49 1HG2 VAL 49 -16.629 -6.868 -5.022 395 2HG2 VAL 49 2HG2 VAL 49 -17.871 -7.958 -4.406 396 3HG2 VAL 49 3HG2 VAL 49 -17.135 -8.259 -5.980 397 H LYS 50 H LYS 50 -15.877 -9.373 -6.797 398 HA LYS 50 HA LYS 50 -14.462 -11.880 -7.648 399 1HB LYS 50 2HB LYS 50 -16.766 -11.163 -8.627 400 2HB LYS 50 1HB LYS 50 -15.852 -9.910 -9.469 401 1HG LYS 50 2HG LYS 50 -14.982 -12.794 -9.583 402 2HG LYS 50 1HG LYS 50 -16.212 -12.176 -10.686 403 1HD LYS 50 2HD LYS 50 -14.329 -10.224 -10.907 404 2HD LYS 50 1HD LYS 50 -13.303 -11.627 -10.602 405 1HE LYS 50 2HE LYS 50 -15.481 -12.102 -12.553 406 2HE LYS 50 1HE LYS 50 -14.229 -10.963 -13.085 407 1HZ LYS 50 1HZ LYS 50 -13.899 -13.575 -13.253 408 2HZ LYS 50 2HZ LYS 50 -13.343 -13.352 -11.663 409 3HZ LYS 50 3HZ LYS 50 -12.606 -12.521 -12.948 410 H VAL 51 H VAL 51 -12.287 -11.398 -7.649 411 HA VAL 51 HA VAL 51 -11.304 -8.678 -8.034 412 HB VAL 51 HB VAL 51 -9.921 -11.378 -7.929 413 1HG1 VAL 51 1HG1 VAL 51 -8.920 -8.527 -7.745 414 2HG1 VAL 51 2HG1 VAL 51 -8.401 -9.784 -8.868 415 3HG1 VAL 51 3HG1 VAL 51 -7.984 -9.901 -7.159 416 1HG2 VAL 51 1HG2 VAL 51 -10.822 -11.259 -5.817 417 2HG2 VAL 51 2HG2 VAL 51 -11.014 -9.507 -5.887 418 3HG2 VAL 51 3HG2 VAL 51 -9.432 -10.208 -5.543 419 H VAL 52 H VAL 52 -11.098 -7.768 -10.015 420 HA VAL 52 HA VAL 52 -10.630 -9.551 -12.379 421 HB VAL 52 HB VAL 52 -12.767 -8.290 -12.293 422 1HG1 VAL 52 1HG1 VAL 52 -12.374 -5.712 -12.680 423 2HG1 VAL 52 2HG1 VAL 52 -10.856 -6.023 -11.835 424 3HG1 VAL 52 3HG1 VAL 52 -12.391 -6.369 -11.049 425 1HG2 VAL 52 1HG2 VAL 52 -12.686 -7.840 -14.516 426 2HG2 VAL 52 2HG2 VAL 52 -11.044 -8.484 -14.404 427 3HG2 VAL 52 3HG2 VAL 52 -11.313 -6.741 -14.334 428 H LYS 53 H LYS 53 -9.064 -7.459 -10.314 429 HA LYS 53 HA LYS 53 -6.677 -7.256 -11.852 430 1HB LYS 53 2HB LYS 53 -8.822 -5.377 -12.463 431 2HB LYS 53 1HB LYS 53 -7.354 -4.538 -11.962 432 1HG LYS 53 2HG LYS 53 -6.287 -6.405 -13.614 433 2HG LYS 53 1HG LYS 53 -7.860 -6.178 -14.380 434 1HD LYS 53 2HD LYS 53 -7.060 -4.301 -15.326 435 2HD LYS 53 1HD LYS 53 -6.958 -3.591 -13.715 436 1HE LYS 53 2HE LYS 53 -4.719 -3.440 -14.205 437 2HE LYS 53 1HE LYS 53 -4.699 -5.157 -13.755 438 1HZ LYS 53 1HZ LYS 53 -3.863 -4.461 -16.092 439 2HZ LYS 53 2HZ LYS 53 -5.518 -4.358 -16.469 440 3HZ LYS 53 3HZ LYS 53 -4.852 -5.829 -15.940 441 H VAL 54 H VAL 54 -5.244 -7.120 -10.165 442 HA VAL 54 HA VAL 54 -5.996 -5.410 -7.823 443 HB VAL 54 HB VAL 54 -4.960 -8.120 -8.173 444 1HG1 VAL 54 1HG1 VAL 54 -3.357 -8.076 -6.296 445 2HG1 VAL 54 2HG1 VAL 54 -3.515 -6.322 -6.198 446 3HG1 VAL 54 3HG1 VAL 54 -2.789 -7.065 -7.624 447 1HG2 VAL 54 1HG2 VAL 54 -6.164 -8.473 -6.249 448 2HG2 VAL 54 2HG2 VAL 54 -6.897 -6.941 -6.727 449 3HG2 VAL 54 3HG2 VAL 54 -5.618 -6.966 -5.511 450 H ASN 55 H ASN 55 -4.677 -3.698 -7.371 451 HA ASN 55 HA ASN 55 -1.955 -3.643 -8.604 452 1HB ASN 55 2HB ASN 55 -3.826 -1.277 -8.334 453 2HB ASN 55 1HB ASN 55 -2.356 -1.380 -9.304 454 1HD2 ASN 55 1HD2 ASN 55 -2.811 -1.655 -11.487 455 2HD2 ASN 55 2HD2 ASN 55 -4.146 -2.499 -12.111 456 H THR 56 H THR 56 -0.548 -3.616 -6.913 457 HA THR 56 HA THR 56 -1.338 -2.086 -4.473 458 HB THR 56 HB THR 56 -0.884 -4.019 -3.374 459 HG1 THR 56 1HG THR 56 1.680 -3.914 -4.566 460 1HG2 THR 56 1HG2 THR 56 -1.471 -5.283 -5.364 461 2HG2 THR 56 2HG2 THR 56 -0.094 -6.051 -4.575 462 3HG2 THR 56 3HG2 THR 56 0.155 -5.070 -6.018 463 H LEU 57 H LEU 57 0.183 -0.648 -3.603 464 HA LEU 57 HA LEU 57 2.778 -0.353 -5.063 465 1HB LEU 57 2HB LEU 57 2.259 2.159 -4.931 466 2HB LEU 57 1HB LEU 57 1.289 1.229 -6.072 467 HG LEU 57 HG LEU 57 0.138 1.245 -3.384 468 1HD1 LEU 57 1HD1 LEU 57 0.793 3.431 -3.000 469 2HD1 LEU 57 2HD1 LEU 57 -0.679 3.720 -3.926 470 3HD1 LEU 57 3HD1 LEU 57 0.894 3.814 -4.718 471 1HD2 LEU 57 1HD2 LEU 57 -0.707 1.751 -6.224 472 2HD2 LEU 57 2HD2 LEU 57 -1.782 2.218 -4.905 473 3HD2 LEU 57 3HD2 LEU 57 -1.293 0.534 -5.089 474 H HIS 58 H HIS 58 4.358 0.944 -3.769 475 HA HIS 58 HA HIS 58 4.215 0.265 -0.927 476 1HB HIS 58 2HB HIS 58 6.158 0.913 -2.919 477 2HB HIS 58 1HB HIS 58 6.355 2.054 -1.589 478 HD1 HIS 58 1HD HIS 58 8.574 0.051 -1.900 479 HD2 HIS 58 2HD HIS 58 5.171 -0.762 0.369 480 HE1 HIS 58 1HE HIS 58 9.215 -1.787 -0.281 481 H VAL 59 H VAL 59 3.420 1.551 0.634 482 HA VAL 59 HA VAL 59 3.036 4.465 0.034 483 HB VAL 59 HB VAL 59 1.181 4.079 1.838 484 1HG1 VAL 59 1HG1 VAL 59 0.016 4.427 -0.055 485 2HG1 VAL 59 2HG1 VAL 59 0.014 2.681 -0.298 486 3HG1 VAL 59 3HG1 VAL 59 1.276 3.671 -1.030 487 1HG2 VAL 59 1HG2 VAL 59 2.062 1.784 2.409 488 2HG2 VAL 59 2HG2 VAL 59 1.522 1.247 0.819 489 3HG2 VAL 59 3HG2 VAL 59 0.346 1.817 2.003 490 H ARG 60 H ARG 60 4.293 5.756 1.310 491 HA ARG 60 HA ARG 60 5.405 4.618 3.840 492 1HB ARG 60 2HB ARG 60 6.211 6.719 1.839 493 2HB ARG 60 1HB ARG 60 6.911 6.733 3.457 494 1HG ARG 60 2HG ARG 60 8.204 5.420 1.675 495 2HG ARG 60 1HG ARG 60 7.862 4.568 3.180 496 1HD ARG 60 2HD ARG 60 6.031 3.356 2.176 497 2HD ARG 60 1HD ARG 60 6.100 4.360 0.714 498 HE ARG 60 HE ARG 60 7.920 2.169 1.357 499 1HH1 ARG 60 1HH1 ARG 60 6.863 4.222 -1.036 500 2HH1 ARG 60 2HH1 ARG 60 8.382 4.361 -1.855 501 1HH2 ARG 60 1HH2 ARG 60 10.176 2.752 0.639 502 2HH2 ARG 60 2HH2 ARG 60 10.257 3.528 -0.908 503 H GLY 61 H GLY 61 5.052 5.679 5.804 504 1HA GLY 61 2HA GLY 61 4.333 7.442 7.244 505 2HA GLY 61 1HA GLY 61 3.751 8.324 5.832 506 H LYS 62 H LYS 62 2.281 7.821 8.306 507 HA LYS 62 HA LYS 62 -0.096 6.484 7.099 508 1HB LYS 62 2HB LYS 62 1.654 5.403 9.083 509 2HB LYS 62 1HB LYS 62 0.116 5.766 9.865 510 1HG LYS 62 2HG LYS 62 -0.903 4.045 8.827 511 2HG LYS 62 1HG LYS 62 -0.301 4.567 7.253 512 1HD LYS 62 2HD LYS 62 1.257 2.951 9.295 513 2HD LYS 62 1HD LYS 62 0.552 2.323 7.803 514 1HE LYS 62 2HE LYS 62 1.966 4.164 6.614 515 2HE LYS 62 1HE LYS 62 2.889 4.205 8.129 516 1HZ LYS 62 1HZ LYS 62 3.552 2.497 6.333 517 2HZ LYS 62 2HZ LYS 62 2.196 1.629 6.873 518 3HZ LYS 62 3HZ LYS 62 3.463 1.987 7.947 519 H LYS 63 H LYS 63 0.839 7.802 10.301 520 HA LYS 63 HA LYS 63 -1.451 9.728 10.056 521 1HB LYS 63 2HB LYS 63 -1.685 7.707 11.607 522 2HB LYS 63 1HB LYS 63 -0.413 8.433 12.588 523 1HG LYS 63 2HG LYS 63 -1.736 10.359 13.061 524 2HG LYS 63 1HG LYS 63 -2.908 9.949 11.809 525 1HD LYS 63 2HD LYS 63 -2.822 7.695 13.477 526 2HD LYS 63 1HD LYS 63 -2.807 9.074 14.576 527 1HE LYS 63 2HE LYS 63 -5.005 9.447 14.184 528 2HE LYS 63 1HE LYS 63 -4.701 9.551 12.437 529 1HZ LYS 63 1HZ LYS 63 -4.797 7.215 12.228 530 2HZ LYS 63 2HZ LYS 63 -6.151 7.644 13.161 531 3HZ LYS 63 3HZ LYS 63 -4.778 6.977 13.907 532 H LYS 64 H LYS 64 1.906 9.320 10.559 533 HA LYS 64 HA LYS 64 2.467 12.095 10.678 534 1HB LYS 64 2HB LYS 64 1.347 11.244 13.003 535 2HB LYS 64 1HB LYS 64 3.051 10.963 13.357 536 1HG LYS 64 2HG LYS 64 3.113 13.159 13.913 537 2HG LYS 64 1HG LYS 64 3.102 13.452 12.172 538 1HD LYS 64 2HD LYS 64 1.009 14.295 12.233 539 2HD LYS 64 1HD LYS 64 0.422 12.952 13.216 540 1HE LYS 64 2HE LYS 64 1.125 14.010 15.252 541 2HE LYS 64 1HE LYS 64 2.061 15.231 14.367 542 1HZ LYS 64 1HZ LYS 64 -0.877 14.885 14.455 543 2HZ LYS 64 2HZ LYS 64 -0.119 15.766 13.215 544 3HZ LYS 64 3HZ LYS 64 0.027 16.269 14.831 545 H ARG 65 H ARG 65 4.590 12.285 10.065 546 HA ARG 65 HA ARG 65 6.459 10.031 10.729 547 1HB ARG 65 2HB ARG 65 7.407 10.592 8.400 548 2HB ARG 65 1HB ARG 65 5.839 9.783 8.437 549 1HG ARG 65 2HG ARG 65 5.779 12.750 8.544 550 2HG ARG 65 1HG ARG 65 6.293 12.038 7.013 551 1HD ARG 65 2HD ARG 65 4.240 10.908 6.709 552 2HD ARG 65 1HD ARG 65 3.806 11.053 8.423 553 HE ARG 65 HE ARG 65 3.021 13.234 7.973 554 1HH1 ARG 65 1HH1 ARG 65 2.539 12.554 5.135 555 2HH1 ARG 65 2HH1 ARG 65 3.469 13.745 4.290 556 1HH2 ARG 65 1HH2 ARG 65 5.373 14.604 7.057 557 2HH2 ARG 65 2HH2 ARG 65 5.074 14.906 5.379 558 H LEU 66 H LEU 66 5.809 13.250 11.187 559 HA LEU 66 HA LEU 66 8.005 14.816 10.685 560 1HB LEU 66 2HB LEU 66 5.932 14.582 12.719 561 2HB LEU 66 1HB LEU 66 7.403 15.298 13.379 562 HG LEU 66 HG LEU 66 7.360 16.749 11.198 563 1HD1 LEU 66 1HD1 LEU 66 5.075 15.186 10.789 564 2HD1 LEU 66 2HD1 LEU 66 5.519 16.642 9.897 565 3HD1 LEU 66 3HD1 LEU 66 4.450 16.756 11.295 566 1HD2 LEU 66 1HD2 LEU 66 7.014 17.551 13.546 567 2HD2 LEU 66 2HD2 LEU 66 5.293 17.204 13.374 568 3HD2 LEU 66 3HD2 LEU 66 6.049 18.441 12.369 569 H GLY 67 H GLY 67 10.175 14.674 11.150 570 1HA GLY 67 2HA GLY 67 11.187 12.456 12.684 571 2HA GLY 67 1HA GLY 67 12.162 13.717 11.946 572 H ARG 68 H ARG 68 9.616 13.766 14.478 573 HA ARG 68 HA ARG 68 11.583 15.140 16.245 574 1HB ARG 68 2HB ARG 68 8.662 15.651 16.502 575 2HB ARG 68 1HB ARG 68 10.001 16.779 16.712 576 1HG ARG 68 2HG ARG 68 9.117 15.675 14.035 577 2HG ARG 68 1HG ARG 68 8.587 17.231 14.677 578 1HD ARG 68 2HD ARG 68 11.513 16.846 14.762 579 2HD ARG 68 1HD ARG 68 10.830 16.909 13.125 580 HE ARG 68 HE ARG 68 10.447 19.035 15.195 581 1HH1 ARG 68 1HH2 ARG 68 9.018 18.022 12.376 582 2HH1 ARG 68 2HH2 ARG 68 9.290 19.482 11.485 583 1HH2 ARG 68 1HH1 ARG 68 11.391 20.862 13.873 584 2HH2 ARG 68 2HH1 ARG 68 10.634 21.091 12.332 585 H TYR 69 H TYR 69 10.274 12.385 15.814 586 HA TYR 69 HA TYR 69 10.264 11.588 18.626 587 1HB TYR 69 2HB TYR 69 8.073 12.515 18.571 588 2HB TYR 69 1HB TYR 69 7.764 11.868 16.959 589 HD1 TYR 69 1HD TYR 69 8.699 10.655 20.391 590 HD2 TYR 69 2HD TYR 69 6.469 9.939 16.790 591 HE1 TYR 69 1HE TYR 69 7.730 8.607 21.398 592 HE2 TYR 69 2HE TYR 69 5.499 7.892 17.799 593 HH TYR 69 HH TYR 69 6.250 6.232 19.669 594 H LEU 70 H LEU 70 11.984 10.407 17.149 595 HA LEU 70 HA LEU 70 12.643 8.474 15.940 596 1HB LEU 70 2HB LEU 70 11.521 7.905 18.297 597 2HB LEU 70 1HB LEU 70 10.348 7.101 17.256 598 HG LEU 70 HG LEU 70 13.038 6.510 16.372 599 1HD1 LEU 70 1HD1 LEU 70 14.128 6.159 18.309 600 2HD1 LEU 70 2HD1 LEU 70 12.885 5.002 18.784 601 3HD1 LEU 70 3HD1 LEU 70 12.718 6.703 19.216 602 1HD2 LEU 70 1HD2 LEU 70 10.488 5.174 16.995 603 2HD2 LEU 70 2HD2 LEU 70 11.907 4.175 17.307 604 3HD2 LEU 70 3HD2 LEU 70 11.639 4.849 15.699 605 H GLY 71 H GLY 71 10.803 10.127 14.550 606 1HA GLY 71 2HA GLY 71 8.808 8.352 13.304 607 2HA GLY 71 1HA GLY 71 9.051 10.058 12.924 608 H LYS 72 H LYS 72 8.991 7.491 11.234 609 HA LYS 72 HA LYS 72 11.108 8.303 9.389 610 1HB LYS 72 2HB LYS 72 11.352 5.962 11.244 611 2HB LYS 72 1HB LYS 72 12.014 5.807 9.615 612 1HG LYS 72 2HG LYS 72 12.997 8.232 10.239 613 2HG LYS 72 1HG LYS 72 12.895 7.548 11.862 614 1HD LYS 72 2HD LYS 72 14.323 5.732 11.301 615 2HD LYS 72 1HD LYS 72 14.166 6.042 9.572 616 1HE LYS 72 2HE LYS 72 15.138 8.450 10.724 617 2HE LYS 72 1HE LYS 72 16.110 7.126 11.399 618 1HZ LYS 72 1HZ LYS 72 16.694 8.078 9.065 619 2HZ LYS 72 2HZ LYS 72 15.409 7.097 8.543 620 3HZ LYS 72 3HZ LYS 72 16.746 6.403 9.328 621 H ARG 73 H ARG 73 9.790 8.217 7.583 622 HA ARG 73 HA ARG 73 7.522 6.699 7.087 623 1HB ARG 73 2HB ARG 73 9.759 7.794 5.412 624 2HB ARG 73 1HB ARG 73 8.517 6.816 4.629 625 1HG ARG 73 2HG ARG 73 6.787 8.316 5.250 626 2HG ARG 73 1HG ARG 73 7.803 9.121 6.446 627 1HD ARG 73 2HD ARG 73 9.323 9.694 4.372 628 2HD ARG 73 1HD ARG 73 7.836 9.396 3.450 629 HE ARG 73 HE ARG 73 7.025 10.994 5.581 630 1HH1 ARG 73 1HH2 ARG 73 8.285 11.258 2.484 631 2HH1 ARG 73 2HH2 ARG 73 8.692 12.938 2.601 632 1HH2 ARG 73 1HH1 ARG 73 8.011 13.140 5.995 633 2HH2 ARG 73 2HH1 ARG 73 8.537 14.003 4.589 634 HA PRO 74 HA PRO 74 9.542 2.659 7.306 635 1HB PRO 74 2HB PRO 74 7.224 1.265 7.657 636 2HB PRO 74 1HB PRO 74 8.056 2.097 8.986 637 1HG PRO 74 2HG PRO 74 5.683 2.951 7.408 638 2HG PRO 74 1HG PRO 74 6.008 3.129 9.140 639 1HD PRO 74 2HD PRO 74 6.300 5.158 7.341 640 2HD PRO 74 1HD PRO 74 7.244 5.037 8.843 641 H ASP 75 H ASP 75 8.346 0.471 6.190 642 HA ASP 75 HA ASP 75 7.876 1.290 3.357 643 1HB ASP 75 2HB ASP 75 9.774 -0.428 4.628 644 2HB ASP 75 1HB ASP 75 8.708 -1.441 3.652 645 H ARG 76 H ARG 76 5.588 1.363 3.689 646 HA ARG 76 HA ARG 76 4.268 -1.220 4.409 647 1HB ARG 76 2HB ARG 76 3.527 0.640 5.725 648 2HB ARG 76 1HB ARG 76 3.383 1.673 4.304 649 1HG ARG 76 2HG ARG 76 1.175 0.825 5.117 650 2HG ARG 76 1HG ARG 76 1.531 0.337 3.461 651 1HD ARG 76 2HD ARG 76 1.253 -1.822 4.081 652 2HD ARG 76 1HD ARG 76 2.635 -1.657 5.180 653 HE ARG 76 HE ARG 76 -0.183 -0.993 5.948 654 1HH1 ARG 76 1HH1 ARG 76 2.999 -0.738 6.974 655 2HH1 ARG 76 2HH1 ARG 76 2.752 -1.499 8.511 656 1HH2 ARG 76 1HH2 ARG 76 -0.491 -2.494 7.794 657 2HH2 ARG 76 2HH2 ARG 76 0.776 -2.494 8.975 658 H LYS 77 H LYS 77 2.894 -2.232 2.919 659 HA LYS 77 HA LYS 77 2.960 -1.131 0.135 660 1HB LYS 77 2HB LYS 77 4.093 -3.267 0.493 661 2HB LYS 77 1HB LYS 77 2.652 -3.937 1.253 662 1HG LYS 77 2HG LYS 77 1.412 -3.540 -0.898 663 2HG LYS 77 1HG LYS 77 2.941 -3.060 -1.634 664 1HD LYS 77 2HD LYS 77 3.700 -5.202 -1.756 665 2HD LYS 77 1HD LYS 77 3.035 -5.628 -0.178 666 1HE LYS 77 2HE LYS 77 1.215 -6.573 -1.140 667 2HE LYS 77 1HE LYS 77 0.906 -5.111 -2.098 668 1HZ LYS 77 1HZ LYS 77 1.491 -6.619 -3.723 669 2HZ LYS 77 2HZ LYS 77 2.623 -7.417 -2.738 670 3HZ LYS 77 3HZ LYS 77 2.988 -5.892 -3.392 671 H LYS 78 H LYS 78 1.019 -0.875 -0.980 672 HA LYS 78 HA LYS 78 -1.503 -1.397 0.557 673 1HB LYS 78 2HB LYS 78 -0.349 0.933 -0.561 674 2HB LYS 78 1HB LYS 78 -1.728 0.534 -1.581 675 1HG LYS 78 2HG LYS 78 -3.233 0.584 0.268 676 2HG LYS 78 1HG LYS 78 -1.919 0.604 1.437 677 1HD LYS 78 2HD LYS 78 -3.106 2.837 0.995 678 2HD LYS 78 1HD LYS 78 -1.348 2.851 0.902 679 1HE LYS 78 2HE LYS 78 -1.402 3.450 -1.290 680 2HE LYS 78 1HE LYS 78 -2.568 2.169 -1.671 681 1HZ LYS 78 1HZ LYS 78 -3.587 4.334 -1.963 682 2HZ LYS 78 2HZ LYS 78 -3.195 4.765 -0.367 683 3HZ LYS 78 3HZ LYS 78 -4.314 3.522 -0.665 684 H ALA 79 H ALA 79 -3.323 -2.253 -0.706 685 HA ALA 79 HA ALA 79 -2.551 -3.294 -3.416 686 1HB ALA 79 1HB ALA 79 -4.538 -4.768 -1.853 687 2HB ALA 79 2HB ALA 79 -2.911 -4.753 -1.159 688 3HB ALA 79 3HB ALA 79 -3.169 -5.368 -2.798 689 H ILE 80 H ILE 80 -3.857 -2.558 -4.991 690 HA ILE 80 HA ILE 80 -6.607 -1.640 -4.302 691 HB ILE 80 HB ILE 80 -4.964 -1.254 -6.812 692 1HG1 ILE 80 2HG1 ILE 80 -5.191 0.441 -4.308 693 2HG1 ILE 80 1HG1 ILE 80 -3.729 -0.311 -4.952 694 1HG2 ILE 80 1HG2 ILE 80 -7.642 -0.803 -6.358 695 2HG2 ILE 80 2HG2 ILE 80 -6.669 0.052 -7.554 696 3HG2 ILE 80 3HG2 ILE 80 -6.936 0.763 -5.962 697 1HD1 ILE 80 1HD1 ILE 80 -3.918 1.052 -6.990 698 2HD1 ILE 80 2HD1 ILE 80 -3.825 2.076 -5.554 699 3HD1 ILE 80 3HD1 ILE 80 -5.380 1.808 -6.347 700 H VAL 81 H VAL 81 -8.068 -3.319 -4.587 701 HA VAL 81 HA VAL 81 -7.611 -5.214 -6.853 702 HB VAL 81 HB VAL 81 -9.436 -5.315 -4.427 703 1HG1 VAL 81 1HG1 VAL 81 -10.383 -7.109 -5.403 704 2HG1 VAL 81 2HG1 VAL 81 -8.800 -7.871 -5.552 705 3HG1 VAL 81 3HG1 VAL 81 -9.404 -6.833 -6.844 706 1HG2 VAL 81 1HG2 VAL 81 -6.634 -5.656 -4.655 707 2HG2 VAL 81 2HG2 VAL 81 -7.317 -7.274 -4.499 708 3HG2 VAL 81 3HG2 VAL 81 -7.648 -6.054 -3.270 709 H GLN 82 H GLN 82 -8.953 -5.082 -8.634 710 HA GLN 82 HA GLN 82 -11.271 -3.209 -8.475 711 1HB GLN 82 2HB GLN 82 -9.725 -2.681 -10.195 712 2HB GLN 82 1HB GLN 82 -9.522 -4.361 -10.652 713 1HG GLN 82 2HG GLN 82 -11.018 -3.930 -12.286 714 2HG GLN 82 1HG GLN 82 -12.232 -3.944 -11.016 715 1HE2 GLN 82 1HE2 GLN 82 -13.546 -2.258 -11.954 716 2HE2 GLN 82 2HE2 GLN 82 -13.012 -0.650 -12.055 717 H VAL 83 H VAL 83 -13.344 -3.954 -9.189 718 HA VAL 83 HA VAL 83 -13.496 -6.917 -9.378 719 HB VAL 83 HB VAL 83 -15.546 -6.836 -8.242 720 1HG1 VAL 83 1HG1 VAL 83 -14.129 -4.427 -7.076 721 2HG1 VAL 83 2HG1 VAL 83 -13.529 -6.074 -6.874 722 3HG1 VAL 83 3HG1 VAL 83 -15.105 -5.624 -6.223 723 1HG2 VAL 83 1HG2 VAL 83 -15.641 -3.868 -8.866 724 2HG2 VAL 83 2HG2 VAL 83 -16.867 -4.769 -7.970 725 3HG2 VAL 83 3HG2 VAL 83 -16.580 -5.126 -9.679 726 H ALA 84 H ALA 84 -15.088 -7.758 -10.872 727 HA ALA 84 HA ALA 84 -15.015 -6.526 -13.447 728 1HB ALA 84 1HB ALA 84 -16.158 -8.846 -12.082 729 2HB ALA 84 2HB ALA 84 -15.415 -8.730 -13.682 730 3HB ALA 84 3HB ALA 84 -17.114 -8.303 -13.461 731 HA PRO 85 HA PRO 85 -18.557 -3.965 -13.587 732 1HB PRO 85 2HB PRO 85 -19.741 -4.662 -15.953 733 2HB PRO 85 1HB PRO 85 -18.212 -3.784 -15.867 734 1HG PRO 85 2HG PRO 85 -18.706 -6.613 -16.450 735 2HG PRO 85 1HG PRO 85 -17.456 -5.542 -17.070 736 1HD PRO 85 2HD PRO 85 -17.072 -7.444 -15.098 737 2HD PRO 85 1HD PRO 85 -16.028 -6.042 -15.372 738 H GLY 86 H GLY 86 -19.165 -5.925 -11.819 739 1HA GLY 86 2HA GLY 86 -22.042 -6.295 -12.229 740 2HA GLY 86 1HA GLY 86 -21.126 -7.801 -12.168 741 H GLN 87 H GLN 87 -19.168 -6.906 -10.246 742 HA GLN 87 HA GLN 87 -20.902 -6.840 -7.805 743 1HB GLN 87 2HB GLN 87 -18.772 -7.862 -6.796 744 2HB GLN 87 1HB GLN 87 -19.637 -8.862 -7.962 745 1HG GLN 87 2HG GLN 87 -17.574 -7.028 -9.069 746 2HG GLN 87 1HG GLN 87 -16.986 -8.404 -8.135 747 1HE2 GLN 87 1HE2 GLN 87 -18.516 -10.515 -8.774 748 2HE2 GLN 87 2HE2 GLN 87 -18.590 -10.781 -10.448 749 H LYS 88 H LYS 88 -19.421 -5.941 -5.861 750 HA LYS 88 HA LYS 88 -17.504 -3.869 -6.449 751 1HB LYS 88 2HB LYS 88 -19.141 -1.976 -5.883 752 2HB LYS 88 1HB LYS 88 -19.345 -2.726 -7.466 753 1HG LYS 88 2HG LYS 88 -21.076 -4.243 -6.438 754 2HG LYS 88 1HG LYS 88 -20.961 -3.279 -4.964 755 1HD LYS 88 2HD LYS 88 -22.147 -1.562 -5.855 756 2HD LYS 88 1HD LYS 88 -21.315 -1.676 -7.407 757 1HE LYS 88 2HE LYS 88 -22.828 -3.234 -8.257 758 2HE LYS 88 1HE LYS 88 -23.274 -3.829 -6.646 759 1HZ LYS 88 1HZ LYS 88 -25.048 -2.462 -7.208 760 2HZ LYS 88 2HZ LYS 88 -24.060 -1.305 -7.964 761 3HZ LYS 88 3HZ LYS 88 -24.076 -1.437 -6.270 762 H ILE 89 H ILE 89 -16.416 -4.568 -4.586 763 HA ILE 89 HA ILE 89 -17.329 -5.386 -2.117 764 HB ILE 89 HB ILE 89 -15.072 -3.425 -2.669 765 1HG1 ILE 89 2HG1 ILE 89 -15.280 -6.442 -2.876 766 2HG1 ILE 89 1HG1 ILE 89 -14.799 -5.308 -4.136 767 1HG2 ILE 89 1HG2 ILE 89 -14.036 -4.519 -0.685 768 2HG2 ILE 89 2HG2 ILE 89 -15.524 -5.435 -0.441 769 3HG2 ILE 89 3HG2 ILE 89 -15.533 -3.680 -0.277 770 1HD1 ILE 89 1HD1 ILE 89 -12.699 -5.949 -3.480 771 2HD1 ILE 89 2HD1 ILE 89 -13.225 -6.376 -1.852 772 3HD1 ILE 89 3HD1 ILE 89 -12.952 -4.686 -2.276 773 H GLU 90 H GLU 90 -18.952 -4.478 -0.926 774 HA GLU 90 HA GLU 90 -19.597 -1.636 -1.031 775 1HB GLU 90 2HB GLU 90 -21.362 -2.333 0.533 776 2HB GLU 90 1HB GLU 90 -21.238 -3.485 -0.796 777 1HG GLU 90 2HG GLU 90 -20.458 -5.158 0.549 778 2HG GLU 90 1HG GLU 90 -19.519 -4.050 1.551 779 H ALA 91 H ALA 91 -17.408 -3.517 0.837 780 HA ALA 91 HA ALA 91 -17.477 -2.322 3.385 781 1HB ALA 91 1HB ALA 91 -15.680 -3.680 3.583 782 2HB ALA 91 2HB ALA 91 -14.774 -2.726 2.409 783 3HB ALA 91 3HB ALA 91 -15.833 -4.024 1.860 784 H LEU 92 H LEU 92 -16.252 -1.011 0.344 785 HA LEU 92 HA LEU 92 -15.225 1.398 1.801 786 1HB LEU 92 2HB LEU 92 -14.830 1.062 -1.129 787 2HB LEU 92 1HB LEU 92 -13.684 1.594 0.098 788 HG LEU 92 HG LEU 92 -14.574 -1.252 -0.426 789 1HD1 LEU 92 1HD1 LEU 92 -12.639 0.282 -1.697 790 2HD1 LEU 92 2HD1 LEU 92 -12.685 -1.481 -1.657 791 3HD1 LEU 92 3HD1 LEU 92 -11.717 -0.597 -0.476 792 1HD2 LEU 92 1HD2 LEU 92 -13.369 -1.921 1.461 793 2HD2 LEU 92 2HD2 LEU 92 -14.056 -0.395 2.019 794 3HD2 LEU 92 3HD2 LEU 92 -12.383 -0.459 1.469 795 H GLU 93 H GLU 93 -17.661 0.245 -0.397 796 HA GLU 93 HA GLU 93 -18.411 2.630 -1.708 797 1HB GLU 93 2HB GLU 93 -19.966 0.221 -0.732 798 2HB GLU 93 1HB GLU 93 -20.655 1.438 -1.806 799 1HG GLU 93 2HG GLU 93 -18.028 0.167 -2.513 800 2HG GLU 93 1HG GLU 93 -19.527 -0.705 -2.833 801 H GLY 94 H GLY 94 -19.288 1.408 1.514 802 1HA GLY 94 2HA GLY 94 -20.875 3.882 1.995 803 2HA GLY 94 1HA GLY 94 -20.945 2.424 2.984 804 H LEU 95 H LEU 95 -17.853 3.651 1.948 805 HA LEU 95 HA LEU 95 -17.251 4.359 4.793 806 1HB LEU 95 2HB LEU 95 -15.994 2.805 2.760 807 2HB LEU 95 1HB LEU 95 -14.952 4.192 3.077 808 HG LEU 95 HG LEU 95 -14.946 3.691 5.466 809 1HD1 LEU 95 1HD1 LEU 95 -16.846 2.695 6.215 810 2HD1 LEU 95 2HD1 LEU 95 -16.044 1.188 5.773 811 3HD1 LEU 95 3HD1 LEU 95 -17.175 1.946 4.652 812 1HD2 LEU 95 1HD2 LEU 95 -14.390 1.282 3.708 813 2HD2 LEU 95 2HD2 LEU 95 -13.837 1.439 5.376 814 3HD2 LEU 95 3HD2 LEU 95 -13.250 2.555 4.143 815 H ILE 96 H ILE 96 -17.677 5.705 1.654 816 HA ILE 96 HA ILE 96 -15.887 7.936 1.755 817 HB ILE 96 HB ILE 96 -18.630 7.651 0.484 818 1HG1 ILE 96 2HG1 ILE 96 -16.571 7.259 -1.401 819 2HG1 ILE 96 1HG1 ILE 96 -16.107 6.304 0.008 820 1HG2 ILE 96 1HG2 ILE 96 -17.076 9.144 -1.207 821 2HG2 ILE 96 2HG2 ILE 96 -16.492 9.685 0.368 822 3HG2 ILE 96 3HG2 ILE 96 -18.204 9.826 -0.035 823 1HD1 ILE 96 1HD1 ILE 96 -17.555 4.737 -0.732 824 2HD1 ILE 96 2HD1 ILE 96 -18.266 5.848 -1.903 825 3HD1 ILE 96 3HD1 ILE 96 -18.842 5.838 -0.237 Start of MODEL 14 1 1H MET 1 1HT MET 1 -6.510 -18.392 8.417 2 2H MET 1 2HT MET 1 -5.621 -19.548 7.543 3 3H MET 1 3HT MET 1 -7.241 -19.852 7.957 4 HA MET 1 HA MET 1 -6.914 -19.195 5.580 5 1HB MET 1 2HB MET 1 -8.793 -17.433 5.853 6 2HB MET 1 1HB MET 1 -9.079 -19.028 6.554 7 1HG MET 1 2HG MET 1 -8.355 -18.203 8.756 8 2HG MET 1 1HG MET 1 -8.031 -16.614 8.062 9 1HE MET 1 1HE MET 1 -12.135 -18.652 7.972 10 2HE MET 1 2HE MET 1 -10.548 -19.415 7.993 11 3HE MET 1 3HE MET 1 -11.095 -18.578 6.543 12 H LYS 2 H LYS 2 -5.169 -18.105 4.647 13 HA LYS 2 HA LYS 2 -4.372 -15.461 5.733 14 1HB LYS 2 2HB LYS 2 -3.104 -16.369 3.244 15 2HB LYS 2 1HB LYS 2 -2.362 -15.905 4.756 16 1HG LYS 2 2HG LYS 2 -3.138 -18.179 5.666 17 2HG LYS 2 1HG LYS 2 -3.453 -18.612 3.986 18 1HD LYS 2 2HD LYS 2 -0.861 -17.389 4.156 19 2HD LYS 2 1HD LYS 2 -0.964 -18.678 5.355 20 1HE LYS 2 2HE LYS 2 -0.280 -19.862 3.441 21 2HE LYS 2 1HE LYS 2 -2.045 -20.034 3.348 22 1HZ LYS 2 1HZ LYS 2 -1.904 -17.767 2.148 23 2HZ LYS 2 2HZ LYS 2 -1.533 -19.179 1.279 24 3HZ LYS 2 3HZ LYS 2 -0.285 -18.189 1.869 25 H THR 3 H THR 3 -6.359 -14.345 5.135 26 HA THR 3 HA THR 3 -6.396 -13.627 2.235 27 HB THR 3 HB THR 3 -8.920 -13.654 2.489 28 HG1 THR 3 1HG THR 3 -8.470 -15.290 4.721 29 1HG2 THR 3 1HG2 THR 3 -7.057 -15.800 2.165 30 2HG2 THR 3 2HG2 THR 3 -8.667 -15.635 1.467 31 3HG2 THR 3 3HG2 THR 3 -8.463 -16.408 3.038 32 H ALA 4 H ALA 4 -8.730 -12.549 4.645 33 HA ALA 4 HA ALA 4 -8.013 -9.761 4.135 34 1HB ALA 4 1HB ALA 4 -9.778 -9.876 6.274 35 2HB ALA 4 2HB ALA 4 -10.115 -11.362 5.382 36 3HB ALA 4 3HB ALA 4 -10.222 -9.798 4.569 37 H TYR 5 H TYR 5 -7.179 -12.174 6.454 38 HA TYR 5 HA TYR 5 -6.443 -10.809 8.798 39 1HB TYR 5 2HB TYR 5 -5.067 -12.754 9.124 40 2HB TYR 5 1HB TYR 5 -6.390 -13.298 8.090 41 HD1 TYR 5 1HD TYR 5 -3.114 -13.919 8.452 42 HD2 TYR 5 2HD TYR 5 -5.693 -12.268 5.462 43 HE1 TYR 5 1HE TYR 5 -1.466 -14.489 6.684 44 HE2 TYR 5 2HE TYR 5 -4.100 -12.844 3.706 45 HH TYR 5 HH TYR 5 -0.888 -14.086 4.510 46 H ASP 6 H ASP 6 -3.494 -11.617 8.510 47 HA ASP 6 HA ASP 6 -2.014 -9.370 8.437 48 1HB ASP 6 2HB ASP 6 -1.199 -11.721 8.529 49 2HB ASP 6 1HB ASP 6 -1.475 -11.876 6.790 50 H VAL 7 H VAL 7 -2.819 -11.085 5.402 51 HA VAL 7 HA VAL 7 -1.844 -9.180 3.558 52 HB VAL 7 HB VAL 7 -4.181 -11.095 3.498 53 1HG1 VAL 7 1HG1 VAL 7 -2.907 -9.453 1.332 54 2HG1 VAL 7 2HG1 VAL 7 -4.622 -9.652 1.702 55 3HG1 VAL 7 3HG1 VAL 7 -3.715 -10.980 0.975 56 1HG2 VAL 7 1HG2 VAL 7 -1.490 -11.389 2.188 57 2HG2 VAL 7 2HG2 VAL 7 -2.708 -12.631 2.484 58 3HG2 VAL 7 3HG2 VAL 7 -1.792 -11.948 3.834 59 H ILE 8 H ILE 8 -3.228 -7.814 2.137 60 HA ILE 8 HA ILE 8 -4.342 -5.624 2.354 61 HB ILE 8 HB ILE 8 -6.380 -7.847 2.059 62 1HG1 ILE 8 2HG1 ILE 8 -4.613 -6.589 -0.066 63 2HG1 ILE 8 1HG1 ILE 8 -4.281 -8.149 0.681 64 1HG2 ILE 8 1HG2 ILE 8 -6.903 -5.218 2.109 65 2HG2 ILE 8 2HG2 ILE 8 -7.701 -6.281 0.947 66 3HG2 ILE 8 3HG2 ILE 8 -6.303 -5.321 0.452 67 1HD1 ILE 8 1HD1 ILE 8 -6.534 -7.372 -1.140 68 2HD1 ILE 8 2HD1 ILE 8 -6.759 -8.692 0.008 69 3HD1 ILE 8 3HD1 ILE 8 -5.487 -8.787 -1.208 70 H LEU 9 H LEU 9 -4.133 -4.968 4.631 71 HA LEU 9 HA LEU 9 -5.903 -5.935 6.688 72 1HB LEU 9 2HB LEU 9 -4.211 -3.460 6.278 73 2HB LEU 9 1HB LEU 9 -5.102 -3.750 7.772 74 HG LEU 9 HG LEU 9 -3.311 -5.892 6.656 75 1HD1 LEU 9 1HD1 LEU 9 -2.455 -3.564 8.403 76 2HD1 LEU 9 2HD1 LEU 9 -1.922 -3.865 6.750 77 3HD1 LEU 9 3HD1 LEU 9 -1.468 -4.978 8.040 78 1HD2 LEU 9 1HD2 LEU 9 -3.422 -5.394 9.541 79 2HD2 LEU 9 2HD2 LEU 9 -3.725 -6.886 8.650 80 3HD2 LEU 9 3HD2 LEU 9 -5.013 -5.697 8.843 81 H ALA 10 H ALA 10 -6.114 -2.524 6.541 82 HA ALA 10 HA ALA 10 -8.998 -2.741 5.770 83 1HB ALA 10 1HB ALA 10 -7.793 -1.787 8.032 84 2HB ALA 10 2HB ALA 10 -9.378 -1.255 7.469 85 3HB ALA 10 3HB ALA 10 -7.942 -0.307 7.085 86 HA PRO 11 HA PRO 11 -8.283 -0.194 2.262 87 1HB PRO 11 2HB PRO 11 -10.644 1.183 2.133 88 2HB PRO 11 1HB PRO 11 -10.505 -0.534 1.708 89 1HG PRO 11 2HG PRO 11 -11.531 0.722 4.201 90 2HG PRO 11 1HG PRO 11 -12.103 -0.716 3.341 91 1HD PRO 11 2HD PRO 11 -10.566 -0.805 5.602 92 2HD PRO 11 1HD PRO 11 -10.602 -2.091 4.376 93 H VAL 12 H VAL 12 -8.019 2.112 1.620 94 HA VAL 12 HA VAL 12 -7.492 3.845 3.999 95 HB VAL 12 HB VAL 12 -5.804 4.838 2.665 96 1HG1 VAL 12 1HG1 VAL 12 -5.827 2.111 3.022 97 2HG1 VAL 12 2HG1 VAL 12 -4.443 3.035 2.435 98 3HG1 VAL 12 3HG1 VAL 12 -5.530 2.250 1.289 99 1HG2 VAL 12 1HG2 VAL 12 -5.698 4.623 0.227 100 2HG2 VAL 12 2HG2 VAL 12 -7.279 5.249 0.699 101 3HG2 VAL 12 3HG2 VAL 12 -7.102 3.555 0.239 102 H LEU 13 H LEU 13 -8.631 5.756 4.228 103 HA LEU 13 HA LEU 13 -10.645 6.388 2.119 104 1HB LEU 13 2HB LEU 13 -10.343 7.054 5.059 105 2HB LEU 13 1HB LEU 13 -11.613 7.734 4.043 106 HG LEU 13 HG LEU 13 -12.555 5.799 5.111 107 1HD1 LEU 13 1HD1 LEU 13 -13.436 4.857 3.224 108 2HD1 LEU 13 2HD1 LEU 13 -11.850 4.489 2.548 109 3HD1 LEU 13 3HD1 LEU 13 -12.510 6.119 2.409 110 1HD2 LEU 13 1HD2 LEU 13 -10.387 4.043 3.975 111 2HD2 LEU 13 2HD2 LEU 13 -11.472 3.726 5.329 112 3HD2 LEU 13 3HD2 LEU 13 -10.138 4.863 5.516 113 H SER 14 H SER 14 -9.735 7.820 0.673 114 HA SER 14 HA SER 14 -8.933 10.469 1.651 115 1HB SER 14 2HB SER 14 -6.946 8.716 0.176 116 2HB SER 14 1HB SER 14 -6.650 10.323 0.832 117 HG SER 14 HG SER 14 -5.896 8.871 2.319 118 H GLU 15 H GLU 15 -9.051 12.018 -0.041 119 HA GLU 15 HA GLU 15 -10.764 11.706 -2.182 120 1HB GLU 15 2HB GLU 15 -9.067 13.639 -1.196 121 2HB GLU 15 1HB GLU 15 -8.379 13.332 -2.791 122 1HG GLU 15 2HG GLU 15 -10.927 13.451 -3.536 123 2HG GLU 15 1HG GLU 15 -11.072 14.414 -2.065 124 H LYS 16 H LYS 16 -7.196 11.414 -2.459 125 HA LYS 16 HA LYS 16 -7.064 10.558 -5.128 126 1HB LYS 16 2HB LYS 16 -5.418 10.659 -2.748 127 2HB LYS 16 1HB LYS 16 -5.074 9.193 -3.667 128 1HG LYS 16 2HG LYS 16 -5.368 11.607 -5.329 129 2HG LYS 16 1HG LYS 16 -4.000 11.661 -4.217 130 1HD LYS 16 2HD LYS 16 -2.923 9.892 -5.228 131 2HD LYS 16 1HD LYS 16 -4.431 9.133 -5.743 132 1HE LYS 16 2HE LYS 16 -4.718 10.774 -7.521 133 2HE LYS 16 1HE LYS 16 -3.303 11.683 -6.954 134 1HZ LYS 16 1HZ LYS 16 -3.074 9.840 -8.800 135 2HZ LYS 16 2HZ LYS 16 -2.994 8.814 -7.448 136 3HZ LYS 16 3HZ LYS 16 -1.865 10.071 -7.634 137 H ALA 17 H ALA 17 -7.897 8.755 -2.218 138 HA ALA 17 HA ALA 17 -7.757 6.135 -3.538 139 1HB ALA 17 1HB ALA 17 -9.241 6.019 -1.138 140 2HB ALA 17 2HB ALA 17 -8.030 7.278 -0.889 141 3HB ALA 17 3HB ALA 17 -7.528 5.649 -1.340 142 H TYR 18 H TYR 18 -10.460 7.826 -1.901 143 HA TYR 18 HA TYR 18 -12.614 6.375 -2.826 144 1HB TYR 18 2HB TYR 18 -12.077 9.227 -2.158 145 2HB TYR 18 1HB TYR 18 -13.613 8.880 -2.956 146 HD1 TYR 18 1HD TYR 18 -14.254 6.198 -1.958 147 HD2 TYR 18 2HD TYR 18 -12.613 9.584 0.111 148 HE1 TYR 18 1HE TYR 18 -15.172 5.334 0.181 149 HE2 TYR 18 2HE TYR 18 -13.534 8.725 2.249 150 HH TYR 18 HH TYR 18 -14.314 6.737 3.243 151 H ALA 19 H ALA 19 -11.168 9.149 -4.580 152 HA ALA 19 HA ALA 19 -12.798 8.874 -6.919 153 1HB ALA 19 1HB ALA 19 -10.053 9.908 -7.254 154 2HB ALA 19 2HB ALA 19 -10.936 10.630 -5.908 155 3HB ALA 19 3HB ALA 19 -11.596 10.713 -7.541 156 H GLY 20 H GLY 20 -9.933 7.207 -5.820 157 1HA GLY 20 2HA GLY 20 -9.376 6.046 -8.478 158 2HA GLY 20 1HA GLY 20 -8.475 5.721 -6.996 159 H PHE 21 H PHE 21 -10.531 5.000 -5.283 160 HA PHE 21 HA PHE 21 -11.071 2.275 -6.149 161 1HB PHE 21 2HB PHE 21 -10.933 2.179 -3.891 162 2HB PHE 21 1HB PHE 21 -11.070 3.924 -3.760 163 HD1 PHE 21 1HD PHE 21 -12.757 4.591 -2.325 164 HD2 PHE 21 2HD PHE 21 -13.377 1.130 -4.790 165 HE1 PHE 21 1HE PHE 21 -15.044 4.348 -1.403 166 HE2 PHE 21 2HE PHE 21 -15.667 0.885 -3.868 167 HZ PHE 21 HZ PHE 21 -16.501 2.494 -2.173 168 H ALA 22 H ALA 22 -12.749 5.312 -6.190 169 HA ALA 22 HA ALA 22 -15.441 4.627 -6.238 170 1HB ALA 22 1HB ALA 22 -15.214 6.873 -6.472 171 2HB ALA 22 2HB ALA 22 -15.151 6.547 -8.205 172 3HB ALA 22 3HB ALA 22 -13.655 6.704 -7.281 173 H GLU 23 H GLU 23 -12.969 3.854 -8.558 174 HA GLU 23 HA GLU 23 -14.903 3.166 -10.692 175 1HB GLU 23 2HB GLU 23 -12.385 4.183 -10.664 176 2HB GLU 23 1HB GLU 23 -12.021 2.471 -10.866 177 1HG GLU 23 2HG GLU 23 -14.155 2.927 -12.611 178 2HG GLU 23 1HG GLU 23 -13.132 4.353 -12.790 179 H GLY 24 H GLY 24 -14.397 1.675 -7.947 180 1HA GLY 24 2HA GLY 24 -15.016 -0.594 -7.501 181 2HA GLY 24 1HA GLY 24 -14.542 -0.997 -9.145 182 H LYS 25 H LYS 25 -12.151 0.955 -8.030 183 HA LYS 25 HA LYS 25 -10.306 -1.292 -7.629 184 1HB LYS 25 2HB LYS 25 -10.061 1.736 -7.600 185 2HB LYS 25 1HB LYS 25 -8.681 0.649 -7.459 186 1HG LYS 25 2HG LYS 25 -9.532 -0.429 -9.638 187 2HG LYS 25 1HG LYS 25 -10.553 1.001 -9.801 188 1HD LYS 25 2HD LYS 25 -8.777 2.392 -10.219 189 2HD LYS 25 1HD LYS 25 -7.682 1.478 -9.179 190 1HE LYS 25 2HE LYS 25 -8.333 -0.301 -11.256 191 2HE LYS 25 1HE LYS 25 -8.056 1.261 -12.052 192 1HZ LYS 25 1HZ LYS 25 -6.253 -0.220 -10.234 193 2HZ LYS 25 2HZ LYS 25 -6.076 1.451 -10.484 194 3HZ LYS 25 3HZ LYS 25 -5.926 0.373 -11.788 195 H TYR 26 H TYR 26 -9.232 -1.762 -5.617 196 HA TYR 26 HA TYR 26 -10.333 -0.308 -3.241 197 1HB TYR 26 2HB TYR 26 -9.799 -3.265 -3.624 198 2HB TYR 26 1HB TYR 26 -10.352 -2.526 -2.123 199 HD1 TYR 26 1HD TYR 26 -11.741 -4.644 -4.022 200 HD2 TYR 26 2HD TYR 26 -12.155 -0.406 -3.456 201 HE1 TYR 26 1HE TYR 26 -14.084 -4.762 -4.819 202 HE2 TYR 26 2HE TYR 26 -14.495 -0.525 -4.260 203 HH TYR 26 HH TYR 26 -16.005 -1.842 -5.328 204 H THR 27 H THR 27 -8.609 0.885 -2.599 205 HA THR 27 HA THR 27 -5.868 -0.073 -2.636 206 HB THR 27 HB THR 27 -6.981 2.303 -1.142 207 HG1 THR 27 1HG THR 27 -7.655 3.057 -2.959 208 1HG2 THR 27 1HG2 THR 27 -4.772 2.626 -0.845 209 2HG2 THR 27 2HG2 THR 27 -4.676 2.967 -2.574 210 3HG2 THR 27 3HG2 THR 27 -4.367 1.336 -1.979 211 H PHE 28 H PHE 28 -4.894 -1.164 -0.980 212 HA PHE 28 HA PHE 28 -6.250 -1.155 1.697 213 1HB PHE 28 2HB PHE 28 -5.305 -3.433 -0.050 214 2HB PHE 28 1HB PHE 28 -5.620 -3.638 1.667 215 HD1 PHE 28 1HD PHE 28 -7.972 -2.116 2.240 216 HD2 PHE 28 2HD PHE 28 -7.013 -4.367 -1.287 217 HE1 PHE 28 1HE PHE 28 -10.392 -2.388 1.761 218 HE2 PHE 28 2HE PHE 28 -9.437 -4.634 -1.774 219 HZ PHE 28 HZ PHE 28 -11.125 -3.645 -0.247 220 H TRP 29 H TRP 29 -4.791 -1.955 3.423 221 HA TRP 29 HA TRP 29 -1.938 -1.222 2.915 222 1HB TRP 29 2HB TRP 29 -3.649 -1.543 5.419 223 2HB TRP 29 1HB TRP 29 -1.926 -1.175 5.456 224 HD1 TRP 29 HD TRP 29 -5.279 0.411 5.065 225 HE1 TRP 29 1HE TRP 29 -5.015 2.932 4.599 226 HE3 TRP 29 3HE TRP 29 -0.255 0.624 4.151 227 HZ2 TRP 29 2HZ TRP 29 -2.952 4.793 3.927 228 HZ3 TRP 29 3HZ TRP 29 0.831 2.785 3.599 229 HH2 TRP 29 HH TRP 29 -0.511 4.866 3.487 230 H VAL 30 H VAL 30 -0.651 -3.060 2.595 231 HA VAL 30 HA VAL 30 -1.484 -5.535 4.020 232 HB VAL 30 HB VAL 30 -2.601 -5.576 1.930 233 1HG1 VAL 30 1HG1 VAL 30 0.047 -4.691 0.778 234 2HG1 VAL 30 2HG1 VAL 30 -1.477 -3.805 0.754 235 3HG1 VAL 30 3HG1 VAL 30 -1.291 -5.267 -0.215 236 1HG2 VAL 30 1HG2 VAL 30 -1.235 -7.597 2.614 237 2HG2 VAL 30 2HG2 VAL 30 -0.080 -7.092 1.380 238 3HG2 VAL 30 3HG2 VAL 30 -1.737 -7.505 0.927 239 H HIS 31 H HIS 31 0.117 -7.245 3.860 240 HA HIS 31 HA HIS 31 2.814 -6.310 4.380 241 1HB HIS 31 2HB HIS 31 1.153 -8.568 4.811 242 2HB HIS 31 1HB HIS 31 2.547 -9.152 3.904 243 HD1 HIS 31 1HD HIS 31 2.751 -6.262 6.319 244 HD2 HIS 31 2HD HIS 31 3.864 -10.276 6.144 245 HE1 HIS 31 1HE HIS 31 4.249 -6.678 8.318 246 HA PRO 32 HA PRO 32 4.600 -6.878 0.400 247 1HB PRO 32 2HB PRO 32 6.945 -8.145 0.931 248 2HB PRO 32 1HB PRO 32 6.655 -6.458 1.364 249 1HG PRO 32 2HG PRO 32 6.599 -8.868 3.084 250 2HG PRO 32 1HG PRO 32 7.164 -7.232 3.447 251 1HD PRO 32 2HD PRO 32 4.741 -8.248 4.242 252 2HD PRO 32 1HD PRO 32 5.089 -6.515 4.052 253 H LYS 33 H LYS 33 5.163 -9.754 2.317 254 HA LYS 33 HA LYS 33 5.350 -11.753 0.414 255 1HB LYS 33 2HB LYS 33 4.305 -13.086 2.325 256 2HB LYS 33 1HB LYS 33 5.656 -12.033 2.760 257 1HG LYS 33 2HG LYS 33 4.376 -10.767 4.104 258 2HG LYS 33 1HG LYS 33 3.146 -10.586 2.859 259 1HD LYS 33 2HD LYS 33 3.164 -13.291 3.942 260 2HD LYS 33 1HD LYS 33 2.908 -12.090 5.208 261 1HE LYS 33 2HE LYS 33 0.748 -11.950 4.535 262 2HE LYS 33 1HE LYS 33 1.325 -11.258 3.005 263 1HZ LYS 33 1HZ LYS 33 1.741 -13.521 2.208 264 2HZ LYS 33 2HZ LYS 33 0.099 -13.285 2.577 265 3HZ LYS 33 3HZ LYS 33 1.096 -14.153 3.644 266 H ALA 34 H ALA 34 2.523 -9.863 1.263 267 HA ALA 34 HA ALA 34 0.474 -11.654 0.315 268 1HB ALA 34 1HB ALA 34 0.795 -9.005 1.365 269 2HB ALA 34 2HB ALA 34 -0.679 -9.968 1.269 270 3HB ALA 34 3HB ALA 34 -0.223 -8.915 -0.071 271 H THR 35 H THR 35 2.181 -12.109 -1.627 272 HA THR 35 HA THR 35 2.706 -10.575 -3.821 273 HB THR 35 HB THR 35 1.926 -12.800 -5.077 274 HG1 THR 35 1HG THR 35 2.218 -13.792 -2.477 275 1HG2 THR 35 1HG2 THR 35 4.030 -13.523 -3.195 276 2HG2 THR 35 2HG2 THR 35 4.256 -11.897 -3.840 277 3HG2 THR 35 3HG2 THR 35 4.126 -13.271 -4.938 278 H LYS 36 H LYS 36 1.582 -9.833 -5.679 279 HA LYS 36 HA LYS 36 -0.932 -8.710 -5.506 280 1HB LYS 36 2HB LYS 36 0.633 -9.930 -7.778 281 2HB LYS 36 1HB LYS 36 -0.926 -9.159 -8.079 282 1HG LYS 36 2HG LYS 36 0.191 -7.239 -6.569 283 2HG LYS 36 1HG LYS 36 1.662 -7.939 -7.247 284 1HD LYS 36 2HD LYS 36 1.185 -7.231 -9.365 285 2HD LYS 36 1HD LYS 36 -0.548 -7.498 -9.171 286 1HE LYS 36 2HE LYS 36 -0.834 -5.428 -7.992 287 2HE LYS 36 1HE LYS 36 0.919 -5.222 -7.803 288 1HZ LYS 36 1HZ LYS 36 0.052 -3.936 -9.686 289 2HZ LYS 36 2HZ LYS 36 -0.517 -5.366 -10.404 290 3HZ LYS 36 3HZ LYS 36 1.152 -5.123 -10.193 291 H THR 37 H THR 37 -0.223 -12.012 -6.688 292 HA THR 37 HA THR 37 -2.878 -12.819 -7.263 293 HB THR 37 HB THR 37 -0.910 -14.677 -6.063 294 HG1 THR 37 1HG THR 37 0.152 -14.554 -8.197 295 1HG2 THR 37 1HG2 THR 37 -2.852 -15.672 -7.015 296 2HG2 THR 37 2HG2 THR 37 -1.543 -15.949 -8.165 297 3HG2 THR 37 3HG2 THR 37 -2.727 -14.676 -8.465 298 H GLU 38 H GLU 38 -0.984 -13.371 -4.285 299 HA GLU 38 HA GLU 38 -3.009 -14.590 -2.739 300 1HB GLU 38 2HB GLU 38 -0.570 -12.917 -2.210 301 2HB GLU 38 1HB GLU 38 -1.607 -13.367 -0.855 302 1HG GLU 38 2HG GLU 38 -1.445 -15.776 -1.791 303 2HG GLU 38 1HG GLU 38 -0.075 -15.172 -2.725 304 H ILE 39 H ILE 39 -2.265 -11.125 -3.185 305 HA ILE 39 HA ILE 39 -4.149 -10.054 -1.348 306 HB ILE 39 HB ILE 39 -2.887 -9.169 -3.944 307 1HG1 ILE 39 2HG1 ILE 39 -2.700 -8.100 -1.112 308 2HG1 ILE 39 1HG1 ILE 39 -1.586 -9.280 -1.802 309 1HG2 ILE 39 1HG2 ILE 39 -5.238 -8.169 -3.665 310 2HG2 ILE 39 2HG2 ILE 39 -3.911 -7.020 -3.818 311 3HG2 ILE 39 3HG2 ILE 39 -4.603 -7.359 -2.234 312 1HD1 ILE 39 1HD1 ILE 39 -1.076 -6.658 -1.895 313 2HD1 ILE 39 2HD1 ILE 39 -2.070 -6.773 -3.347 314 3HD1 ILE 39 3HD1 ILE 39 -0.601 -7.738 -3.206 315 H LYS 40 H LYS 40 -4.507 -11.358 -4.593 316 HA LYS 40 HA LYS 40 -7.147 -10.431 -5.193 317 1HB LYS 40 2HB LYS 40 -5.394 -11.526 -6.681 318 2HB LYS 40 1HB LYS 40 -5.843 -13.062 -5.946 319 1HG LYS 40 2HG LYS 40 -8.146 -12.801 -6.703 320 2HG LYS 40 1HG LYS 40 -7.773 -11.212 -7.371 321 1HD LYS 40 2HD LYS 40 -6.058 -12.322 -8.849 322 2HD LYS 40 1HD LYS 40 -6.660 -13.880 -8.280 323 1HE LYS 40 2HE LYS 40 -8.184 -13.755 -9.963 324 2HE LYS 40 1HE LYS 40 -8.971 -12.471 -9.023 325 1HZ LYS 40 1HZ LYS 40 -7.744 -10.823 -10.099 326 2HZ LYS 40 2HZ LYS 40 -8.181 -11.876 -11.358 327 3HZ LYS 40 3HZ LYS 40 -6.610 -11.922 -10.715 328 H ASN 41 H ASN 41 -5.973 -13.417 -3.656 329 HA ASN 41 HA ASN 41 -8.585 -14.561 -3.219 330 1HB ASN 41 2HB ASN 41 -5.777 -15.018 -2.229 331 2HB ASN 41 1HB ASN 41 -7.120 -15.959 -1.578 332 1HD2 ASN 41 1HD2 ASN 41 -5.777 -14.972 -4.784 333 2HD2 ASN 41 2HD2 ASN 41 -6.149 -16.440 -5.551 334 H ALA 42 H ALA 42 -6.463 -12.498 -1.210 335 HA ALA 42 HA ALA 42 -7.796 -12.874 1.257 336 1HB ALA 42 1HB ALA 42 -6.922 -10.460 1.652 337 2HB ALA 42 2HB ALA 42 -6.250 -10.600 0.021 338 3HB ALA 42 3HB ALA 42 -5.724 -11.718 1.291 339 H VAL 43 H VAL 43 -8.437 -10.340 -1.209 340 HA VAL 43 HA VAL 43 -10.764 -9.342 0.211 341 HB VAL 43 HB VAL 43 -11.191 -8.310 -2.131 342 1HG1 VAL 43 1HG1 VAL 43 -9.455 -6.659 -1.767 343 2HG1 VAL 43 2HG1 VAL 43 -8.517 -7.800 -0.805 344 3HG1 VAL 43 3HG1 VAL 43 -10.061 -7.196 -0.200 345 1HG2 VAL 43 1HG2 VAL 43 -9.316 -10.249 -2.868 346 2HG2 VAL 43 2HG2 VAL 43 -8.411 -8.735 -2.886 347 3HG2 VAL 43 3HG2 VAL 43 -9.872 -8.901 -3.860 348 H GLU 44 H GLU 44 -10.244 -11.764 -2.319 349 HA GLU 44 HA GLU 44 -12.997 -12.167 -3.036 350 1HB GLU 44 2HB GLU 44 -10.363 -13.457 -3.355 351 2HB GLU 44 1HB GLU 44 -11.717 -14.585 -3.390 352 1HG GLU 44 2HG GLU 44 -12.346 -12.219 -4.935 353 2HG GLU 44 1HG GLU 44 -10.835 -12.935 -5.497 354 H THR 45 H THR 45 -10.902 -13.554 -0.532 355 HA THR 45 HA THR 45 -12.919 -15.423 0.444 356 HB THR 45 HB THR 45 -10.137 -14.678 0.876 357 HG1 THR 45 1HG THR 45 -10.000 -16.721 0.500 358 1HG2 THR 45 1HG2 THR 45 -10.241 -15.885 3.206 359 2HG2 THR 45 2HG2 THR 45 -11.905 -15.307 3.214 360 3HG2 THR 45 3HG2 THR 45 -10.574 -14.156 3.116 361 H ALA 46 H ALA 46 -11.771 -12.193 1.275 362 HA ALA 46 HA ALA 46 -13.435 -12.090 3.708 363 1HB ALA 46 1HB ALA 46 -12.171 -10.185 4.179 364 2HB ALA 46 2HB ALA 46 -11.972 -9.775 2.475 365 3HB ALA 46 3HB ALA 46 -11.050 -11.107 3.175 366 H PHE 47 H PHE 47 -13.113 -9.940 0.847 367 HA PHE 47 HA PHE 47 -15.692 -8.707 1.274 368 1HB PHE 47 2HB PHE 47 -13.706 -8.799 -1.006 369 2HB PHE 47 1HB PHE 47 -15.156 -7.795 -1.044 370 HD1 PHE 47 1HD PHE 47 -15.426 -6.824 1.674 371 HD2 PHE 47 2HD PHE 47 -11.867 -7.385 -0.661 372 HE1 PHE 47 1HE PHE 47 -14.266 -5.099 3.027 373 HE2 PHE 47 2HE PHE 47 -10.707 -5.661 0.691 374 HZ PHE 47 HZ PHE 47 -11.906 -4.518 2.536 375 H LYS 48 H LYS 48 -14.642 -11.577 -0.385 376 HA LYS 48 HA LYS 48 -15.862 -13.218 -1.558 377 1HB LYS 48 2HB LYS 48 -17.636 -11.858 0.317 378 2HB LYS 48 1HB LYS 48 -18.520 -12.489 -1.073 379 1HG LYS 48 2HG LYS 48 -17.553 -14.710 -0.718 380 2HG LYS 48 1HG LYS 48 -16.590 -14.097 0.627 381 1HD LYS 48 2HD LYS 48 -18.690 -13.478 1.812 382 2HD LYS 48 1HD LYS 48 -19.619 -14.185 0.490 383 1HE LYS 48 2HE LYS 48 -19.279 -16.298 1.257 384 2HE LYS 48 1HE LYS 48 -17.552 -15.997 1.540 385 1HZ LYS 48 1HZ LYS 48 -17.971 -15.010 3.583 386 2HZ LYS 48 2HZ LYS 48 -19.069 -16.306 3.574 387 3HZ LYS 48 3HZ LYS 48 -19.608 -14.730 3.238 388 H VAL 49 H VAL 49 -15.004 -11.061 -3.089 389 HA VAL 49 HA VAL 49 -17.311 -10.620 -4.938 390 HB VAL 49 HB VAL 49 -15.946 -8.774 -3.450 391 1HG1 VAL 49 1HG1 VAL 49 -14.239 -7.721 -4.591 392 2HG1 VAL 49 2HG1 VAL 49 -14.812 -8.268 -6.166 393 3HG1 VAL 49 3HG1 VAL 49 -13.957 -9.384 -5.102 394 1HG2 VAL 49 1HG2 VAL 49 -18.001 -8.786 -5.168 395 2HG2 VAL 49 2HG2 VAL 49 -16.837 -7.862 -6.118 396 3HG2 VAL 49 3HG2 VAL 49 -17.311 -7.302 -4.514 397 H LYS 50 H LYS 50 -15.817 -9.555 -7.045 398 HA LYS 50 HA LYS 50 -14.072 -11.872 -7.817 399 1HB LYS 50 2HB LYS 50 -16.442 -11.247 -8.901 400 2HB LYS 50 1HB LYS 50 -15.434 -10.143 -9.840 401 1HG LYS 50 2HG LYS 50 -14.542 -12.985 -9.514 402 2HG LYS 50 1HG LYS 50 -15.820 -12.624 -10.676 403 1HD LYS 50 2HD LYS 50 -14.149 -10.695 -11.404 404 2HD LYS 50 1HD LYS 50 -12.950 -11.768 -10.682 405 1HE LYS 50 2HE LYS 50 -14.953 -12.979 -12.554 406 2HE LYS 50 1HE LYS 50 -13.617 -12.037 -13.246 407 1HZ LYS 50 1HZ LYS 50 -13.108 -14.446 -12.824 408 2HZ LYS 50 2HZ LYS 50 -13.226 -14.112 -11.162 409 3HZ LYS 50 3HZ LYS 50 -12.036 -13.347 -12.103 410 H VAL 51 H VAL 51 -11.977 -11.142 -7.717 411 HA VAL 51 HA VAL 51 -11.288 -8.327 -8.094 412 HB VAL 51 HB VAL 51 -9.731 -10.908 -7.767 413 1HG1 VAL 51 1HG1 VAL 51 -8.258 -9.417 -8.924 414 2HG1 VAL 51 2HG1 VAL 51 -7.821 -9.301 -7.220 415 3HG1 VAL 51 3HG1 VAL 51 -8.795 -8.036 -7.969 416 1HG2 VAL 51 1HG2 VAL 51 -10.702 -8.716 -5.954 417 2HG2 VAL 51 2HG2 VAL 51 -9.233 -9.597 -5.535 418 3HG2 VAL 51 3HG2 VAL 51 -10.759 -10.462 -5.716 419 H VAL 52 H VAL 52 -11.100 -7.434 -10.106 420 HA VAL 52 HA VAL 52 -10.416 -9.223 -12.404 421 HB VAL 52 HB VAL 52 -12.572 -7.999 -12.449 422 1HG1 VAL 52 1HG1 VAL 52 -10.734 -5.646 -12.037 423 2HG1 VAL 52 2HG1 VAL 52 -12.204 -6.064 -11.165 424 3HG1 VAL 52 3HG1 VAL 52 -12.308 -5.446 -12.808 425 1HG2 VAL 52 1HG2 VAL 52 -10.983 -6.480 -14.431 426 2HG2 VAL 52 2HG2 VAL 52 -12.392 -7.522 -14.672 427 3HG2 VAL 52 3HG2 VAL 52 -10.787 -8.233 -14.472 428 H LYS 53 H LYS 53 -8.818 -7.351 -10.291 429 HA LYS 53 HA LYS 53 -6.441 -7.040 -11.765 430 1HB LYS 53 2HB LYS 53 -8.554 -5.141 -12.408 431 2HB LYS 53 1HB LYS 53 -7.103 -4.317 -11.837 432 1HG LYS 53 2HG LYS 53 -6.049 -6.231 -13.507 433 2HG LYS 53 1HG LYS 53 -7.547 -5.807 -14.335 434 1HD LYS 53 2HD LYS 53 -6.900 -3.608 -14.677 435 2HD LYS 53 1HD LYS 53 -5.837 -3.593 -13.269 436 1HE LYS 53 2HE LYS 53 -4.219 -3.736 -14.921 437 2HE LYS 53 1HE LYS 53 -4.568 -5.469 -14.755 438 1HZ LYS 53 1HZ LYS 53 -5.418 -3.597 -16.831 439 2HZ LYS 53 2HZ LYS 53 -6.539 -4.782 -16.357 440 3HZ LYS 53 3HZ LYS 53 -5.017 -5.239 -16.957 441 H VAL 54 H VAL 54 -5.075 -6.983 -10.031 442 HA VAL 54 HA VAL 54 -5.790 -5.196 -7.732 443 HB VAL 54 HB VAL 54 -5.025 -8.014 -7.969 444 1HG1 VAL 54 1HG1 VAL 54 -3.492 -6.256 -6.026 445 2HG1 VAL 54 2HG1 VAL 54 -2.806 -7.279 -7.290 446 3HG1 VAL 54 3HG1 VAL 54 -3.602 -8.013 -5.897 447 1HG2 VAL 54 1HG2 VAL 54 -6.510 -8.170 -6.267 448 2HG2 VAL 54 2HG2 VAL 54 -6.847 -6.468 -6.584 449 3HG2 VAL 54 3HG2 VAL 54 -5.690 -6.920 -5.330 450 H ASN 55 H ASN 55 -4.449 -3.442 -7.703 451 HA ASN 55 HA ASN 55 -1.628 -3.827 -8.632 452 1HB ASN 55 2HB ASN 55 -3.697 -1.708 -8.977 453 2HB ASN 55 1HB ASN 55 -2.031 -1.161 -8.795 454 1HD2 ASN 55 1HD2 ASN 55 -1.088 -0.877 -10.815 455 2HD2 ASN 55 2HD2 ASN 55 -1.344 -1.878 -12.162 456 H THR 56 H THR 56 -0.287 -3.888 -6.896 457 HA THR 56 HA THR 56 -0.998 -2.210 -4.525 458 HB THR 56 HB THR 56 -0.759 -4.134 -3.363 459 HG1 THR 56 1HG THR 56 1.359 -3.529 -3.049 460 1HG2 THR 56 1HG2 THR 56 0.263 -5.377 -5.932 461 2HG2 THR 56 2HG2 THR 56 -1.406 -5.380 -5.357 462 3HG2 THR 56 3HG2 THR 56 -0.167 -6.271 -4.475 463 H LEU 57 H LEU 57 0.546 -0.783 -3.759 464 HA LEU 57 HA LEU 57 3.162 -0.704 -5.232 465 1HB LEU 57 2HB LEU 57 2.911 1.678 -5.335 466 2HB LEU 57 1HB LEU 57 1.345 1.012 -5.793 467 HG LEU 57 HG LEU 57 1.145 1.184 -3.042 468 1HD1 LEU 57 1HD1 LEU 57 3.314 2.821 -3.763 469 2HD1 LEU 57 2HD1 LEU 57 2.442 2.840 -2.231 470 3HD1 LEU 57 3HD1 LEU 57 1.959 3.925 -3.534 471 1HD2 LEU 57 1HD2 LEU 57 -0.119 3.404 -3.715 472 2HD2 LEU 57 2HD2 LEU 57 -0.709 1.846 -4.294 473 3HD2 LEU 57 3HD2 LEU 57 0.249 2.876 -5.358 474 H HIS 58 H HIS 58 4.854 0.546 -3.965 475 HA HIS 58 HA HIS 58 5.047 -0.463 -1.248 476 1HB HIS 58 2HB HIS 58 6.942 -0.122 -2.839 477 2HB HIS 58 1HB HIS 58 6.670 1.618 -2.755 478 HD1 HIS 58 1HD HIS 58 9.220 1.568 -1.765 479 HD2 HIS 58 2HD HIS 58 6.241 0.002 0.695 480 HE1 HIS 58 1HE HIS 58 10.194 1.480 0.571 481 H VAL 59 H VAL 59 4.285 0.550 0.574 482 HA VAL 59 HA VAL 59 3.435 3.412 0.318 483 HB VAL 59 HB VAL 59 2.316 2.223 2.637 484 1HG1 VAL 59 1HG1 VAL 59 1.343 3.925 1.080 485 2HG1 VAL 59 2HG1 VAL 59 0.229 2.624 1.498 486 3HG1 VAL 59 3HG1 VAL 59 1.032 2.626 -0.073 487 1HG2 VAL 59 1HG2 VAL 59 1.065 0.307 1.565 488 2HG2 VAL 59 2HG2 VAL 59 2.779 -0.006 1.815 489 3HG2 VAL 59 3HG2 VAL 59 2.187 0.407 0.208 490 H ARG 60 H ARG 60 4.258 4.905 1.763 491 HA ARG 60 HA ARG 60 6.259 3.884 3.751 492 1HB ARG 60 2HB ARG 60 6.065 6.625 2.470 493 2HB ARG 60 1HB ARG 60 7.449 5.932 3.316 494 1HG ARG 60 2HG ARG 60 8.041 5.602 1.078 495 2HG ARG 60 1HG ARG 60 7.289 4.059 1.487 496 1HD ARG 60 2HD ARG 60 5.401 4.487 0.212 497 2HD ARG 60 1HD ARG 60 5.521 6.243 0.440 498 HE ARG 60 HE ARG 60 6.942 4.679 -1.597 499 1HH1 ARG 60 1HH2 ARG 60 5.721 7.507 -1.763 500 2HH1 ARG 60 2HH2 ARG 60 7.157 8.460 -1.933 501 1HH2 ARG 60 1HH1 ARG 60 9.284 5.916 -0.918 502 2HH2 ARG 60 2HH1 ARG 60 9.175 7.560 -1.454 503 H GLY 61 H GLY 61 6.528 5.562 5.622 504 1HA GLY 61 2HA GLY 61 3.840 6.618 6.405 505 2HA GLY 61 1HA GLY 61 4.860 5.752 7.553 506 H LYS 62 H LYS 62 4.418 8.765 5.829 507 HA LYS 62 HA LYS 62 6.724 9.946 7.338 508 1HB LYS 62 2HB LYS 62 6.930 10.110 4.934 509 2HB LYS 62 1HB LYS 62 5.278 10.710 4.785 510 1HG LYS 62 2HG LYS 62 5.824 12.817 5.572 511 2HG LYS 62 1HG LYS 62 7.175 12.221 6.535 512 1HD LYS 62 2HD LYS 62 7.272 12.056 3.532 513 2HD LYS 62 1HD LYS 62 7.687 13.562 4.352 514 1HE LYS 62 2HE LYS 62 9.322 12.238 5.769 515 2HE LYS 62 1HE LYS 62 9.023 10.858 4.694 516 1HZ LYS 62 1HZ LYS 62 9.509 12.382 2.805 517 2HZ LYS 62 2HZ LYS 62 10.851 12.073 3.801 518 3HZ LYS 62 3HZ LYS 62 10.018 13.549 3.926 519 H LYS 63 H LYS 63 5.525 10.375 9.292 520 HA LYS 63 HA LYS 63 3.817 12.781 9.133 521 1HB LYS 63 2HB LYS 63 2.751 10.159 9.137 522 2HB LYS 63 1HB LYS 63 2.485 10.796 10.761 523 1HG LYS 63 2HG LYS 63 1.708 12.175 8.173 524 2HG LYS 63 1HG LYS 63 0.598 11.373 9.287 525 1HD LYS 63 2HD LYS 63 0.605 13.121 10.732 526 2HD LYS 63 1HD LYS 63 2.348 13.347 10.585 527 1HE LYS 63 2HE LYS 63 1.733 15.263 9.475 528 2HE LYS 63 1HE LYS 63 1.506 14.159 8.104 529 1HZ LYS 63 1HZ LYS 63 -0.614 14.527 10.126 530 2HZ LYS 63 2HZ LYS 63 -0.751 13.948 8.534 531 3HZ LYS 63 3HZ LYS 63 -0.475 15.600 8.820 532 H LYS 64 H LYS 64 6.269 12.780 10.283 533 HA LYS 64 HA LYS 64 7.448 13.051 12.323 534 1HB LYS 64 2HB LYS 64 4.600 13.871 12.977 535 2HB LYS 64 1HB LYS 64 5.988 14.241 14.000 536 1HG LYS 64 2HG LYS 64 6.335 16.080 12.749 537 2HG LYS 64 1HG LYS 64 6.743 15.018 11.400 538 1HD LYS 64 2HD LYS 64 4.990 16.322 10.530 539 2HD LYS 64 1HD LYS 64 4.167 14.851 11.053 540 1HE LYS 64 2HE LYS 64 3.804 16.081 13.307 541 2HE LYS 64 1HE LYS 64 4.208 17.554 12.402 542 1HZ LYS 64 1HZ LYS 64 2.584 16.616 10.670 543 2HZ LYS 64 2HZ LYS 64 1.935 17.343 12.063 544 3HZ LYS 64 3HZ LYS 64 2.000 15.650 11.936 545 H ARG 65 H ARG 65 7.160 10.419 12.103 546 HA ARG 65 HA ARG 65 6.915 9.440 14.796 547 1HB ARG 65 2HB ARG 65 4.819 8.074 14.346 548 2HB ARG 65 1HB ARG 65 4.554 9.813 14.470 549 1HG ARG 65 2HG ARG 65 3.449 9.530 12.495 550 2HG ARG 65 1HG ARG 65 5.071 9.576 11.804 551 1HD ARG 65 2HD ARG 65 5.015 7.364 11.257 552 2HD ARG 65 1HD ARG 65 4.271 6.914 12.804 553 HE ARG 65 HE ARG 65 2.590 8.350 10.815 554 1HH1 ARG 65 1HH2 ARG 65 3.238 5.400 10.212 555 2HH1 ARG 65 2HH2 ARG 65 1.849 4.623 10.896 556 1HH2 ARG 65 1HH1 ARG 65 0.867 7.402 12.722 557 2HH2 ARG 65 2HH1 ARG 65 0.507 5.757 12.317 558 H LEU 66 H LEU 66 6.562 8.546 11.351 559 HA LEU 66 HA LEU 66 7.380 6.642 10.191 560 1HB LEU 66 2HB LEU 66 9.442 7.861 11.917 561 2HB LEU 66 1HB LEU 66 9.821 6.222 11.389 562 HG LEU 66 HG LEU 66 9.046 7.113 9.036 563 1HD1 LEU 66 1HD1 LEU 66 10.001 9.672 10.344 564 2HD1 LEU 66 2HD1 LEU 66 8.300 9.308 10.055 565 3HD1 LEU 66 3HD1 LEU 66 9.410 9.469 8.695 566 1HD2 LEU 66 1HD2 LEU 66 11.301 7.358 8.487 567 2HD2 LEU 66 2HD2 LEU 66 11.416 6.483 10.013 568 3HD2 LEU 66 3HD2 LEU 66 11.672 8.227 9.976 569 H GLY 67 H GLY 67 5.937 4.969 10.918 570 1HA GLY 67 2HA GLY 67 5.568 2.842 11.859 571 2HA GLY 67 1HA GLY 67 7.160 2.961 12.590 572 H ARG 68 H ARG 68 6.143 2.088 14.526 573 HA ARG 68 HA ARG 68 4.003 3.163 15.983 574 1HB ARG 68 2HB ARG 68 5.135 2.135 17.910 575 2HB ARG 68 1HB ARG 68 5.309 1.106 16.488 576 1HG ARG 68 2HG ARG 68 7.554 1.955 16.086 577 2HG ARG 68 1HG ARG 68 7.386 3.114 17.406 578 1HD ARG 68 2HD ARG 68 8.443 1.451 18.603 579 2HD ARG 68 1HD ARG 68 6.798 0.793 18.717 580 HE ARG 68 HE ARG 68 7.348 -0.802 17.024 581 1HH1 ARG 68 1HH2 ARG 68 9.994 -0.971 18.354 582 2HH1 ARG 68 2HH2 ARG 68 11.095 -0.693 17.046 583 1HH2 ARG 68 1HH1 ARG 68 8.683 0.653 14.950 584 2HH2 ARG 68 2HH1 ARG 68 10.353 0.226 15.119 585 H TYR 69 H TYR 69 4.774 4.152 18.380 586 HA TYR 69 HA TYR 69 4.950 6.874 18.241 587 1HB TYR 69 2HB TYR 69 4.689 5.874 20.355 588 2HB TYR 69 1HB TYR 69 6.104 4.846 20.146 589 HD1 TYR 69 1HD TYR 69 8.382 5.765 20.389 590 HD2 TYR 69 2HD TYR 69 4.898 8.172 21.105 591 HE1 TYR 69 1HE TYR 69 9.787 7.453 21.535 592 HE2 TYR 69 2HE TYR 69 6.302 9.862 22.256 593 HH TYR 69 HH TYR 69 9.836 9.442 22.519 594 H LEU 70 H LEU 70 6.298 8.008 16.879 595 HA LEU 70 HA LEU 70 8.297 8.583 15.702 596 1HB LEU 70 2HB LEU 70 8.294 8.957 18.540 597 2HB LEU 70 1HB LEU 70 9.942 8.615 18.018 598 HG LEU 70 HG LEU 70 9.634 11.001 17.860 599 1HD1 LEU 70 1HD1 LEU 70 10.491 11.227 15.753 600 2HD1 LEU 70 2HD1 LEU 70 9.150 10.360 15.005 601 3HD1 LEU 70 3HD1 LEU 70 10.460 9.464 15.774 602 1HD2 LEU 70 1HD2 LEU 70 7.628 11.933 17.406 603 2HD2 LEU 70 2HD2 LEU 70 6.959 10.303 17.347 604 3HD2 LEU 70 3HD2 LEU 70 7.522 11.080 15.866 605 H GLY 71 H GLY 71 7.946 5.790 15.653 606 1HA GLY 71 2HA GLY 71 10.527 4.576 16.388 607 2HA GLY 71 1HA GLY 71 9.149 3.725 15.687 608 H LYS 72 H LYS 72 10.311 2.747 13.990 609 HA LYS 72 HA LYS 72 11.584 4.612 12.015 610 1HB LYS 72 2HB LYS 72 12.276 2.061 13.223 611 2HB LYS 72 1HB LYS 72 12.268 1.937 11.464 612 1HG LYS 72 2HG LYS 72 13.505 4.420 12.259 613 2HG LYS 72 1HG LYS 72 14.285 3.072 13.086 614 1HD LYS 72 2HD LYS 72 14.788 1.972 11.025 615 2HD LYS 72 1HD LYS 72 13.726 3.046 10.114 616 1HE LYS 72 2HE LYS 72 15.314 4.681 9.973 617 2HE LYS 72 1HE LYS 72 15.849 4.430 11.646 618 1HZ LYS 72 1HZ LYS 72 16.857 2.318 10.919 619 2HZ LYS 72 2HZ LYS 72 17.560 3.665 10.160 620 3HZ LYS 72 3HZ LYS 72 16.456 2.691 9.314 621 H ARG 73 H ARG 73 10.799 4.595 9.903 622 HA ARG 73 HA ARG 73 8.174 3.608 9.347 623 1HB ARG 73 2HB ARG 73 9.054 5.470 8.136 624 2HB ARG 73 1HB ARG 73 10.500 4.573 7.670 625 1HG ARG 73 2HG ARG 73 8.026 3.247 6.832 626 2HG ARG 73 1HG ARG 73 8.216 4.852 6.124 627 1HD ARG 73 2HD ARG 73 10.748 3.885 5.814 628 2HD ARG 73 1HD ARG 73 9.800 2.393 5.650 629 HE ARG 73 HE ARG 73 8.552 3.444 3.827 630 1HH1 ARG 73 1HH1 ARG 73 10.529 5.753 5.348 631 2HH1 ARG 73 2HH1 ARG 73 10.952 6.583 3.887 632 1HH2 ARG 73 1HH2 ARG 73 9.378 4.290 1.817 633 2HH2 ARG 73 2HH2 ARG 73 10.300 5.755 1.889 634 HA PRO 74 HA PRO 74 9.558 -0.618 8.662 635 1HB PRO 74 2HB PRO 74 7.050 -1.681 8.521 636 2HB PRO 74 1HB PRO 74 7.845 -1.294 10.060 637 1HG PRO 74 2HG PRO 74 5.773 0.227 8.565 638 2HG PRO 74 1HG PRO 74 5.957 -0.014 10.309 639 1HD PRO 74 2HD PRO 74 6.687 2.277 9.011 640 2HD PRO 74 1HD PRO 74 7.438 1.717 10.521 641 H ASP 75 H ASP 75 8.161 -2.295 6.994 642 HA ASP 75 HA ASP 75 8.174 -0.843 4.390 643 1HB ASP 75 2HB ASP 75 8.945 -2.998 3.493 644 2HB ASP 75 1HB ASP 75 9.981 -2.506 4.830 645 H ARG 76 H ARG 76 5.914 -0.379 4.544 646 HA ARG 76 HA ARG 76 4.017 -2.653 4.738 647 1HB ARG 76 2HB ARG 76 2.420 -0.986 5.194 648 2HB ARG 76 1HB ARG 76 3.888 -0.283 5.862 649 1HG ARG 76 2HG ARG 76 3.972 0.529 3.221 650 2HG ARG 76 1HG ARG 76 2.256 0.625 3.611 651 1HD ARG 76 2HD ARG 76 4.480 1.872 5.269 652 2HD ARG 76 1HD ARG 76 3.410 2.755 4.161 653 HE ARG 76 HE ARG 76 1.804 1.179 5.922 654 1HH1 ARG 76 1HH2 ARG 76 4.244 2.832 7.264 655 2HH1 ARG 76 2HH2 ARG 76 3.306 4.104 7.970 656 1HH2 ARG 76 1HH1 ARG 76 0.414 3.295 6.236 657 2HH2 ARG 76 2HH1 ARG 76 1.138 4.367 7.389 658 H LYS 77 H LYS 77 2.473 -3.066 3.030 659 HA LYS 77 HA LYS 77 3.257 -1.940 0.361 660 1HB LYS 77 2HB LYS 77 3.991 -4.195 0.407 661 2HB LYS 77 1HB LYS 77 2.562 -4.737 1.285 662 1HG LYS 77 2HG LYS 77 1.158 -4.317 -0.669 663 2HG LYS 77 1HG LYS 77 2.534 -3.651 -1.548 664 1HD LYS 77 2HD LYS 77 3.366 -5.705 -2.044 665 2HD LYS 77 1HD LYS 77 3.011 -6.336 -0.435 666 1HE LYS 77 2HE LYS 77 0.752 -6.835 -1.010 667 2HE LYS 77 1HE LYS 77 0.828 -5.840 -2.478 668 1HZ LYS 77 1HZ LYS 77 1.256 -7.907 -3.344 669 2HZ LYS 77 2HZ LYS 77 2.045 -8.461 -1.946 670 3HZ LYS 77 3HZ LYS 77 2.836 -7.395 -3.005 671 H LYS 78 H LYS 78 1.545 -1.083 -0.809 672 HA LYS 78 HA LYS 78 -1.161 -1.225 0.435 673 1HB LYS 78 2HB LYS 78 0.041 0.948 -0.050 674 2HB LYS 78 1HB LYS 78 -0.087 0.563 -1.767 675 1HG LYS 78 2HG LYS 78 -2.233 1.243 -1.833 676 2HG LYS 78 1HG LYS 78 -2.650 0.249 -0.437 677 1HD LYS 78 2HD LYS 78 -3.064 2.485 0.258 678 2HD LYS 78 1HD LYS 78 -1.515 2.059 0.987 679 1HE LYS 78 2HE LYS 78 -1.095 4.187 0.032 680 2HE LYS 78 1HE LYS 78 -0.491 3.071 -1.210 681 1HZ LYS 78 1HZ LYS 78 -3.283 4.074 -1.123 682 2HZ LYS 78 2HZ LYS 78 -2.543 3.192 -2.373 683 3HZ LYS 78 3HZ LYS 78 -2.066 4.792 -2.061 684 H ALA 79 H ALA 79 -3.016 -1.820 -0.894 685 HA ALA 79 HA ALA 79 -2.314 -3.071 -3.530 686 1HB ALA 79 1HB ALA 79 -4.459 -4.289 -1.936 687 2HB ALA 79 2HB ALA 79 -2.840 -4.422 -1.233 688 3HB ALA 79 3HB ALA 79 -3.155 -5.058 -2.853 689 H ILE 80 H ILE 80 -3.620 -2.478 -5.167 690 HA ILE 80 HA ILE 80 -6.255 -1.221 -4.505 691 HB ILE 80 HB ILE 80 -4.222 -0.844 -6.707 692 1HG1 ILE 80 2HG1 ILE 80 -4.365 1.484 -5.993 693 2HG1 ILE 80 1HG1 ILE 80 -5.659 1.094 -4.867 694 1HG2 ILE 80 1HG2 ILE 80 -5.905 0.694 -7.754 695 2HG2 ILE 80 2HG2 ILE 80 -7.112 0.063 -6.633 696 3HG2 ILE 80 3HG2 ILE 80 -6.374 -1.005 -7.827 697 1HD1 ILE 80 1HD1 ILE 80 -3.077 -0.402 -4.652 698 2HD1 ILE 80 2HD1 ILE 80 -4.233 0.026 -3.392 699 3HD1 ILE 80 3HD1 ILE 80 -3.146 1.251 -4.040 700 H VAL 81 H VAL 81 -7.813 -2.764 -4.803 701 HA VAL 81 HA VAL 81 -7.446 -4.752 -7.010 702 HB VAL 81 HB VAL 81 -9.310 -4.787 -4.621 703 1HG1 VAL 81 1HG1 VAL 81 -9.075 -6.422 -6.936 704 2HG1 VAL 81 2HG1 VAL 81 -10.083 -6.701 -5.516 705 3HG1 VAL 81 3HG1 VAL 81 -8.447 -7.355 -5.578 706 1HG2 VAL 81 1HG2 VAL 81 -6.426 -5.224 -4.836 707 2HG2 VAL 81 2HG2 VAL 81 -7.270 -6.639 -4.206 708 3HG2 VAL 81 3HG2 VAL 81 -7.432 -5.082 -3.394 709 H GLN 82 H GLN 82 -8.806 -4.657 -8.757 710 HA GLN 82 HA GLN 82 -11.166 -2.826 -8.592 711 1HB GLN 82 2HB GLN 82 -9.596 -2.258 -10.311 712 2HB GLN 82 1HB GLN 82 -9.443 -3.928 -10.824 713 1HG GLN 82 2HG GLN 82 -11.003 -3.443 -12.378 714 2HG GLN 82 1HG GLN 82 -12.159 -3.438 -11.051 715 1HE2 GLN 82 1HE2 GLN 82 -13.368 -1.736 -12.287 716 2HE2 GLN 82 2HE2 GLN 82 -12.828 -0.128 -12.231 717 H VAL 83 H VAL 83 -13.219 -3.678 -9.251 718 HA VAL 83 HA VAL 83 -13.199 -6.641 -9.526 719 HB VAL 83 HB VAL 83 -15.162 -6.745 -8.270 720 1HG1 VAL 83 1HG1 VAL 83 -13.039 -5.265 -7.239 721 2HG1 VAL 83 2HG1 VAL 83 -14.354 -5.979 -6.306 722 3HG1 VAL 83 3HG1 VAL 83 -14.460 -4.300 -6.835 723 1HG2 VAL 83 1HG2 VAL 83 -16.410 -5.119 -9.648 724 2HG2 VAL 83 2HG2 VAL 83 -15.580 -3.791 -8.826 725 3HG2 VAL 83 3HG2 VAL 83 -16.678 -4.839 -7.923 726 H ALA 84 H ALA 84 -14.815 -7.532 -10.960 727 HA ALA 84 HA ALA 84 -15.023 -6.106 -13.462 728 1HB ALA 84 1HB ALA 84 -16.852 -8.227 -13.393 729 2HB ALA 84 2HB ALA 84 -15.557 -8.699 -12.293 730 3HB ALA 84 3HB ALA 84 -15.185 -8.289 -13.972 731 HA PRO 85 HA PRO 85 -18.940 -4.178 -13.156 732 1HB PRO 85 2HB PRO 85 -20.292 -5.020 -15.382 733 2HB PRO 85 1HB PRO 85 -18.926 -3.904 -15.452 734 1HG PRO 85 2HG PRO 85 -19.019 -6.780 -16.040 735 2HG PRO 85 1HG PRO 85 -18.083 -5.507 -16.813 736 1HD PRO 85 2HD PRO 85 -17.047 -7.291 -14.994 737 2HD PRO 85 1HD PRO 85 -16.367 -5.687 -15.317 738 H GLY 86 H GLY 86 -20.897 -4.530 -12.119 739 1HA GLY 86 2HA GLY 86 -22.957 -5.883 -11.863 740 2HA GLY 86 1HA GLY 86 -21.967 -7.322 -12.106 741 H GLN 87 H GLN 87 -19.798 -6.613 -10.384 742 HA GLN 87 HA GLN 87 -21.123 -7.087 -7.763 743 1HB GLN 87 2HB GLN 87 -18.759 -7.707 -7.137 744 2HB GLN 87 1HB GLN 87 -19.411 -8.646 -8.478 745 1HG GLN 87 2HG GLN 87 -18.198 -6.233 -9.486 746 2HG GLN 87 1HG GLN 87 -17.048 -7.096 -8.467 747 1HE2 GLN 87 1HE2 GLN 87 -19.650 -8.476 -10.528 748 2HE2 GLN 87 2HE2 GLN 87 -18.602 -9.387 -11.503 749 H LYS 88 H LYS 88 -19.643 -6.104 -5.884 750 HA LYS 88 HA LYS 88 -18.333 -3.586 -6.266 751 1HB LYS 88 2HB LYS 88 -20.305 -2.200 -5.369 752 2HB LYS 88 1HB LYS 88 -20.441 -2.765 -7.034 753 1HG LYS 88 2HG LYS 88 -21.891 -4.568 -6.396 754 2HG LYS 88 1HG LYS 88 -21.584 -4.288 -4.682 755 1HD LYS 88 2HD LYS 88 -22.740 -2.091 -6.380 756 2HD LYS 88 1HD LYS 88 -23.788 -3.357 -5.738 757 1HE LYS 88 2HE LYS 88 -22.354 -2.721 -3.500 758 2HE LYS 88 1HE LYS 88 -22.433 -1.145 -4.311 759 1HZ LYS 88 1HZ LYS 88 -24.865 -1.765 -4.735 760 2HZ LYS 88 2HZ LYS 88 -24.441 -1.260 -3.168 761 3HZ LYS 88 3HZ LYS 88 -24.659 -2.912 -3.502 762 H ILE 89 H ILE 89 -17.016 -4.575 -4.582 763 HA ILE 89 HA ILE 89 -17.791 -5.660 -2.142 764 HB ILE 89 HB ILE 89 -15.532 -3.764 -2.850 765 1HG1 ILE 89 2HG1 ILE 89 -15.809 -6.779 -2.686 766 2HG1 ILE 89 1HG1 ILE 89 -15.462 -5.817 -4.122 767 1HG2 ILE 89 1HG2 ILE 89 -16.361 -4.759 -0.273 768 2HG2 ILE 89 2HG2 ILE 89 -14.996 -3.714 -0.664 769 3HG2 ILE 89 3HG2 ILE 89 -14.805 -5.466 -0.707 770 1HD1 ILE 89 1HD1 ILE 89 -13.648 -6.707 -1.970 771 2HD1 ILE 89 2HD1 ILE 89 -13.447 -5.021 -2.445 772 3HD1 ILE 89 3HD1 ILE 89 -13.289 -6.301 -3.648 773 H GLU 90 H GLU 90 -19.630 -4.711 -1.201 774 HA GLU 90 HA GLU 90 -20.180 -1.954 -0.881 775 1HB GLU 90 2HB GLU 90 -20.947 -4.517 0.478 776 2HB GLU 90 1HB GLU 90 -21.495 -2.987 1.166 777 1HG GLU 90 2HG GLU 90 -21.873 -2.953 -1.692 778 2HG GLU 90 1HG GLU 90 -22.633 -4.390 -1.010 779 H ALA 91 H ALA 91 -17.767 -3.848 0.680 780 HA ALA 91 HA ALA 91 -17.621 -2.746 3.269 781 1HB ALA 91 1HB ALA 91 -15.205 -3.345 3.057 782 2HB ALA 91 2HB ALA 91 -15.434 -3.535 1.319 783 3HB ALA 91 3HB ALA 91 -16.267 -4.611 2.440 784 H LEU 92 H LEU 92 -16.444 -1.376 0.189 785 HA LEU 92 HA LEU 92 -15.565 1.072 1.680 786 1HB LEU 92 2HB LEU 92 -15.009 0.758 -1.223 787 2HB LEU 92 1HB LEU 92 -13.943 1.305 0.067 788 HG LEU 92 HG LEU 92 -14.706 -1.548 -0.589 789 1HD1 LEU 92 1HD1 LEU 92 -12.583 -1.768 -1.446 790 2HD1 LEU 92 2HD1 LEU 92 -11.896 -0.598 -0.319 791 3HD1 LEU 92 3HD1 LEU 92 -12.786 -0.040 -1.735 792 1HD2 LEU 92 1HD2 LEU 92 -12.728 -1.620 1.346 793 2HD2 LEU 92 2HD2 LEU 92 -14.443 -1.900 1.641 794 3HD2 LEU 92 3HD2 LEU 92 -13.756 -0.296 1.896 795 H GLU 93 H GLU 93 -17.868 -0.151 -0.629 796 HA GLU 93 HA GLU 93 -18.621 2.172 -2.018 797 1HB GLU 93 2HB GLU 93 -20.309 -0.100 -0.924 798 2HB GLU 93 1HB GLU 93 -20.807 0.993 -2.214 799 1HG GLU 93 2HG GLU 93 -18.223 -0.539 -2.427 800 2HG GLU 93 1HG GLU 93 -19.753 -1.293 -2.877 801 H GLY 94 H GLY 94 -19.628 1.073 1.221 802 1HA GLY 94 2HA GLY 94 -21.302 3.485 1.560 803 2HA GLY 94 1HA GLY 94 -21.168 2.152 2.707 804 H LEU 95 H LEU 95 -18.067 2.676 1.965 805 HA LEU 95 HA LEU 95 -17.400 3.931 4.449 806 1HB LEU 95 2HB LEU 95 -16.132 2.809 2.109 807 2HB LEU 95 1HB LEU 95 -15.305 4.294 2.577 808 HG LEU 95 HG LEU 95 -15.053 3.467 4.867 809 1HD1 LEU 95 1HD1 LEU 95 -16.640 2.009 5.558 810 2HD1 LEU 95 2HD1 LEU 95 -15.682 0.767 4.754 811 3HD1 LEU 95 3HD1 LEU 95 -17.027 1.529 3.907 812 1HD2 LEU 95 1HD2 LEU 95 -13.915 1.111 3.994 813 2HD2 LEU 95 2HD2 LEU 95 -13.142 2.694 3.910 814 3HD2 LEU 95 3HD2 LEU 95 -14.001 2.055 2.508 815 H ILE 96 H ILE 96 -18.073 5.231 1.246 816 HA ILE 96 HA ILE 96 -16.925 7.745 1.225 817 HB ILE 96 HB ILE 96 -19.730 6.830 0.535 818 1HG1 ILE 96 2HG1 ILE 96 -17.695 5.840 -0.631 819 2HG1 ILE 96 1HG1 ILE 96 -18.862 6.626 -1.697 820 1HG2 ILE 96 1HG2 ILE 96 -19.903 8.866 -0.841 821 2HG2 ILE 96 2HG2 ILE 96 -18.334 9.409 -0.247 822 3HG2 ILE 96 3HG2 ILE 96 -19.700 9.283 0.861 823 1HD1 ILE 96 1HD1 ILE 96 -17.474 8.430 -2.118 824 2HD1 ILE 96 2HD1 ILE 96 -16.264 7.170 -1.880 825 3HD1 ILE 96 3HD1 ILE 96 -16.644 8.286 -0.568 Start of MODEL 15 1 1H MET 1 1HT MET 1 -4.935 -17.445 7.693 2 2H MET 1 2HT MET 1 -5.206 -18.911 6.879 3 3H MET 1 3HT MET 1 -5.882 -18.653 8.416 4 HA MET 1 HA MET 1 -7.397 -18.388 6.356 5 1HB MET 1 2HB MET 1 -8.431 -16.385 7.633 6 2HB MET 1 1HB MET 1 -8.179 -17.878 8.547 7 1HG MET 1 2HG MET 1 -5.898 -16.884 9.212 8 2HG MET 1 1HG MET 1 -6.516 -15.354 8.587 9 1HE MET 1 1HE MET 1 -6.153 -16.149 12.402 10 2HE MET 1 2HE MET 1 -5.655 -17.202 11.081 11 3HE MET 1 3HE MET 1 -6.972 -17.695 12.142 12 H LYS 2 H LYS 2 -5.463 -17.686 4.692 13 HA LYS 2 HA LYS 2 -4.871 -14.901 4.508 14 1HB LYS 2 2HB LYS 2 -4.285 -15.477 2.143 15 2HB LYS 2 1HB LYS 2 -3.569 -16.559 3.327 16 1HG LYS 2 2HG LYS 2 -6.142 -17.602 2.688 17 2HG LYS 2 1HG LYS 2 -5.331 -17.224 1.166 18 1HD LYS 2 2HD LYS 2 -3.378 -18.529 1.841 19 2HD LYS 2 1HD LYS 2 -4.110 -18.851 3.414 20 1HE LYS 2 2HE LYS 2 -4.850 -20.766 2.383 21 2HE LYS 2 1HE LYS 2 -6.101 -19.695 1.723 22 1HZ LYS 2 1HZ LYS 2 -3.585 -20.590 0.472 23 2HZ LYS 2 2HZ LYS 2 -4.289 -19.117 0.002 24 3HZ LYS 2 3HZ LYS 2 -5.151 -20.570 -0.181 25 H THR 3 H THR 3 -6.690 -13.716 4.808 26 HA THR 3 HA THR 3 -8.685 -13.698 2.566 27 HB THR 3 HB THR 3 -9.525 -14.930 4.540 28 HG1 THR 3 1HG THR 3 -11.329 -13.479 4.961 29 1HG2 THR 3 1HG2 THR 3 -9.624 -13.964 6.703 30 2HG2 THR 3 2HG2 THR 3 -9.234 -12.358 6.085 31 3HG2 THR 3 3HG2 THR 3 -7.998 -13.617 6.115 32 H ALA 4 H ALA 4 -7.253 -12.092 5.315 33 HA ALA 4 HA ALA 4 -7.195 -9.509 3.922 34 1HB ALA 4 1HB ALA 4 -9.403 -9.388 4.660 35 2HB ALA 4 2HB ALA 4 -8.537 -8.581 5.971 36 3HB ALA 4 3HB ALA 4 -9.054 -10.261 6.154 37 H TYR 5 H TYR 5 -6.436 -11.519 6.681 38 HA TYR 5 HA TYR 5 -5.027 -9.981 8.489 39 1HB TYR 5 2HB TYR 5 -3.949 -12.085 8.954 40 2HB TYR 5 1HB TYR 5 -5.542 -12.484 8.311 41 HD1 TYR 5 1HD TYR 5 -4.663 -11.571 5.362 42 HD2 TYR 5 2HD TYR 5 -3.035 -14.293 8.266 43 HE1 TYR 5 1HE TYR 5 -3.589 -12.830 3.548 44 HE2 TYR 5 2HE TYR 5 -1.943 -15.561 6.433 45 HH TYR 5 HH TYR 5 -1.133 -14.827 3.915 46 H ASP 6 H ASP 6 -2.397 -11.455 7.910 47 HA ASP 6 HA ASP 6 -0.471 -9.750 7.312 48 1HB ASP 6 2HB ASP 6 -1.138 -12.453 6.167 49 2HB ASP 6 1HB ASP 6 0.360 -11.648 5.681 50 H VAL 7 H VAL 7 -2.049 -11.328 4.540 51 HA VAL 7 HA VAL 7 -1.008 -9.673 2.523 52 HB VAL 7 HB VAL 7 -3.642 -11.169 2.675 53 1HG1 VAL 7 1HG1 VAL 7 -2.264 -11.089 0.115 54 2HG1 VAL 7 2HG1 VAL 7 -2.688 -9.468 0.677 55 3HG1 VAL 7 3HG1 VAL 7 -3.942 -10.699 0.494 56 1HG2 VAL 7 1HG2 VAL 7 -2.479 -13.092 2.050 57 2HG2 VAL 7 2HG2 VAL 7 -1.328 -12.331 3.151 58 3HG2 VAL 7 3HG2 VAL 7 -1.112 -12.181 1.407 59 H ILE 8 H ILE 8 -4.384 -9.429 2.177 60 HA ILE 8 HA ILE 8 -4.242 -6.514 2.159 61 HB ILE 8 HB ILE 8 -6.611 -8.370 1.848 62 1HG1 ILE 8 2HG1 ILE 8 -4.929 -7.358 -0.433 63 2HG1 ILE 8 1HG1 ILE 8 -4.469 -8.835 0.411 64 1HG2 ILE 8 1HG2 ILE 8 -6.700 -5.718 1.991 65 2HG2 ILE 8 2HG2 ILE 8 -7.666 -6.581 0.793 66 3HG2 ILE 8 3HG2 ILE 8 -6.136 -5.835 0.325 67 1HD1 ILE 8 1HD1 ILE 8 -7.276 -8.949 -0.074 68 2HD1 ILE 8 2HD1 ILE 8 -6.014 -9.978 -0.747 69 3HD1 ILE 8 3HD1 ILE 8 -6.484 -8.500 -1.584 70 H LEU 9 H LEU 9 -3.993 -5.849 4.380 71 HA LEU 9 HA LEU 9 -5.723 -6.778 6.507 72 1HB LEU 9 2HB LEU 9 -3.860 -4.441 6.068 73 2HB LEU 9 1HB LEU 9 -4.754 -4.635 7.576 74 HG LEU 9 HG LEU 9 -3.099 -6.883 6.428 75 1HD1 LEU 9 1HD1 LEU 9 -1.247 -6.166 7.845 76 2HD1 LEU 9 2HD1 LEU 9 -2.185 -4.790 8.425 77 3HD1 LEU 9 3HD1 LEU 9 -1.666 -4.857 6.740 78 1HD2 LEU 9 1HD2 LEU 9 -4.009 -6.188 9.240 79 2HD2 LEU 9 2HD2 LEU 9 -3.127 -7.640 8.769 80 3HD2 LEU 9 3HD2 LEU 9 -4.774 -7.383 8.193 81 H ALA 10 H ALA 10 -5.714 -3.351 6.408 82 HA ALA 10 HA ALA 10 -8.644 -3.374 5.794 83 1HB ALA 10 1HB ALA 10 -7.166 -2.469 7.957 84 2HB ALA 10 2HB ALA 10 -8.820 -1.987 7.583 85 3HB ALA 10 3HB ALA 10 -7.468 -0.992 7.042 86 HA PRO 11 HA PRO 11 -8.029 -0.754 2.318 87 1HB PRO 11 2HB PRO 11 -10.250 0.833 2.433 88 2HB PRO 11 1HB PRO 11 -10.315 -0.881 1.978 89 1HG PRO 11 2HG PRO 11 -10.994 0.417 4.562 90 2HG PRO 11 1HG PRO 11 -11.759 -0.958 3.753 91 1HD PRO 11 2HD PRO 11 -10.018 -1.178 5.865 92 2HD PRO 11 1HD PRO 11 -10.314 -2.461 4.671 93 H VAL 12 H VAL 12 -7.765 1.607 1.687 94 HA VAL 12 HA VAL 12 -6.895 3.231 4.057 95 HB VAL 12 HB VAL 12 -5.085 3.973 2.743 96 1HG1 VAL 12 1HG1 VAL 12 -5.163 1.425 1.276 97 2HG1 VAL 12 2HG1 VAL 12 -5.488 1.261 3.001 98 3HG1 VAL 12 3HG1 VAL 12 -3.988 2.009 2.453 99 1HG2 VAL 12 1HG2 VAL 12 -6.541 2.957 0.283 100 2HG2 VAL 12 2HG2 VAL 12 -5.006 3.823 0.301 101 3HG2 VAL 12 3HG2 VAL 12 -6.488 4.644 0.793 102 H LEU 13 H LEU 13 -7.731 5.315 4.234 103 HA LEU 13 HA LEU 13 -9.727 6.126 2.166 104 1HB LEU 13 2HB LEU 13 -9.231 6.875 5.062 105 2HB LEU 13 1HB LEU 13 -10.447 7.664 4.057 106 HG LEU 13 HG LEU 13 -11.590 5.923 5.240 107 1HD1 LEU 13 1HD1 LEU 13 -12.638 5.007 3.432 108 2HD1 LEU 13 2HD1 LEU 13 -11.135 4.367 2.765 109 3HD1 LEU 13 3HD1 LEU 13 -11.561 6.061 2.514 110 1HD2 LEU 13 1HD2 LEU 13 -10.762 3.758 5.582 111 2HD2 LEU 13 2HD2 LEU 13 -9.288 4.724 5.646 112 3HD2 LEU 13 3HD2 LEU 13 -9.699 3.838 4.177 113 H SER 14 H SER 14 -8.851 7.491 0.658 114 HA SER 14 HA SER 14 -7.390 9.893 1.596 115 1HB SER 14 2HB SER 14 -5.865 8.954 -0.564 116 2HB SER 14 1HB SER 14 -5.394 8.934 1.133 117 HG SER 14 HG SER 14 -5.390 6.848 0.807 118 H GLU 15 H GLU 15 -7.585 11.622 0.107 119 HA GLU 15 HA GLU 15 -9.787 11.904 -1.531 120 1HB GLU 15 2HB GLU 15 -7.186 13.150 -1.156 121 2HB GLU 15 1HB GLU 15 -7.718 13.295 -2.832 122 1HG GLU 15 2HG GLU 15 -9.740 13.836 -0.705 123 2HG GLU 15 1HG GLU 15 -8.482 15.048 -0.957 124 H LYS 16 H LYS 16 -6.538 11.128 -2.847 125 HA LYS 16 HA LYS 16 -7.322 10.522 -5.471 126 1HB LYS 16 2HB LYS 16 -5.153 9.555 -5.632 127 2HB LYS 16 1HB LYS 16 -5.012 10.768 -4.363 128 1HG LYS 16 2HG LYS 16 -5.347 9.026 -2.649 129 2HG LYS 16 1HG LYS 16 -5.481 7.810 -3.919 130 1HD LYS 16 2HD LYS 16 -3.239 7.694 -4.180 131 2HD LYS 16 1HD LYS 16 -3.079 9.450 -4.204 132 1HE LYS 16 2HE LYS 16 -3.734 8.896 -1.548 133 2HE LYS 16 1HE LYS 16 -2.610 7.596 -1.996 134 1HZ LYS 16 1HZ LYS 16 -1.087 9.209 -1.607 135 2HZ LYS 16 2HZ LYS 16 -2.172 10.479 -1.916 136 3HZ LYS 16 3HZ LYS 16 -1.452 9.640 -3.206 137 H ALA 17 H ALA 17 -7.146 8.372 -2.636 138 HA ALA 17 HA ALA 17 -7.794 5.946 -3.986 139 1HB ALA 17 1HB ALA 17 -7.192 6.843 -1.414 140 2HB ALA 17 2HB ALA 17 -7.519 5.171 -1.873 141 3HB ALA 17 3HB ALA 17 -8.823 6.189 -1.262 142 H TYR 18 H TYR 18 -9.959 7.968 -1.956 143 HA TYR 18 HA TYR 18 -12.392 6.719 -2.502 144 1HB TYR 18 2HB TYR 18 -11.445 9.454 -1.815 145 2HB TYR 18 1HB TYR 18 -13.113 9.326 -2.374 146 HD1 TYR 18 1HD TYR 18 -11.605 9.750 0.521 147 HD2 TYR 18 2HD TYR 18 -13.888 6.661 -1.394 148 HE1 TYR 18 1HE TYR 18 -12.285 8.879 2.741 149 HE2 TYR 18 2HE TYR 18 -14.569 5.783 0.827 150 HH TYR 18 HH TYR 18 -13.350 7.265 3.833 151 H ALA 19 H ALA 19 -10.629 9.042 -4.524 152 HA ALA 19 HA ALA 19 -12.774 9.042 -6.558 153 1HB ALA 19 1HB ALA 19 -11.869 11.085 -6.896 154 2HB ALA 19 2HB ALA 19 -10.353 10.332 -7.392 155 3HB ALA 19 3HB ALA 19 -10.629 10.726 -5.694 156 H GLY 20 H GLY 20 -10.080 7.150 -5.780 157 1HA GLY 20 2HA GLY 20 -9.610 6.328 -8.612 158 2HA GLY 20 1HA GLY 20 -8.537 5.963 -7.259 159 H PHE 21 H PHE 21 -10.649 5.202 -5.454 160 HA PHE 21 HA PHE 21 -10.996 2.432 -6.312 161 1HB PHE 21 2HB PHE 21 -11.199 2.153 -4.045 162 2HB PHE 21 1HB PHE 21 -10.716 3.837 -3.937 163 HD1 PHE 21 1HD PHE 21 -12.557 5.623 -3.996 164 HD2 PHE 21 2HD PHE 21 -13.337 1.457 -3.330 165 HE1 PHE 21 1HE PHE 21 -14.766 6.195 -3.022 166 HE2 PHE 21 2HE PHE 21 -15.546 2.024 -2.358 167 HZ PHE 21 HZ PHE 21 -16.261 4.394 -2.203 168 H ALA 22 H ALA 22 -12.791 5.373 -6.406 169 HA ALA 22 HA ALA 22 -15.460 4.584 -6.357 170 1HB ALA 22 1HB ALA 22 -13.989 6.834 -6.868 171 2HB ALA 22 2HB ALA 22 -15.743 6.737 -7.036 172 3HB ALA 22 3HB ALA 22 -14.709 6.519 -8.447 173 H GLU 23 H GLU 23 -13.045 3.898 -8.763 174 HA GLU 23 HA GLU 23 -15.006 3.216 -10.865 175 1HB GLU 23 2HB GLU 23 -12.480 4.198 -10.864 176 2HB GLU 23 1HB GLU 23 -12.130 2.480 -11.051 177 1HG GLU 23 2HG GLU 23 -12.823 2.496 -13.195 178 2HG GLU 23 1HG GLU 23 -14.341 3.279 -12.755 179 H GLY 24 H GLY 24 -14.538 1.688 -8.141 180 1HA GLY 24 2HA GLY 24 -15.169 -0.583 -7.714 181 2HA GLY 24 1HA GLY 24 -14.703 -0.974 -9.364 182 H LYS 25 H LYS 25 -12.318 0.963 -8.295 183 HA LYS 25 HA LYS 25 -10.437 -1.248 -7.883 184 1HB LYS 25 2HB LYS 25 -10.369 1.769 -8.067 185 2HB LYS 25 1HB LYS 25 -8.919 0.870 -7.627 186 1HG LYS 25 2HG LYS 25 -9.858 -0.537 -9.812 187 2HG LYS 25 1HG LYS 25 -10.239 1.131 -10.237 188 1HD LYS 25 2HD LYS 25 -7.934 1.807 -9.885 189 2HD LYS 25 1HD LYS 25 -7.518 0.204 -9.278 190 1HE LYS 25 2HE LYS 25 -7.131 -0.516 -11.388 191 2HE LYS 25 1HE LYS 25 -8.778 -0.053 -11.865 192 1HZ LYS 25 1HZ LYS 25 -7.169 1.247 -13.098 193 2HZ LYS 25 2HZ LYS 25 -6.437 1.768 -11.655 194 3HZ LYS 25 3HZ LYS 25 -8.022 2.253 -12.031 195 H TYR 26 H TYR 26 -9.473 -1.769 -5.850 196 HA TYR 26 HA TYR 26 -10.466 -0.175 -3.516 197 1HB TYR 26 2HB TYR 26 -10.212 -3.171 -3.878 198 2HB TYR 26 1HB TYR 26 -10.596 -2.392 -2.343 199 HD1 TYR 26 1HD TYR 26 -12.239 -4.292 -4.401 200 HD2 TYR 26 2HD TYR 26 -12.311 -0.137 -3.319 201 HE1 TYR 26 1HE TYR 26 -14.629 -4.162 -5.051 202 HE2 TYR 26 2HE TYR 26 -14.701 -0.006 -3.974 203 HH TYR 26 HH TYR 26 -16.613 -1.507 -4.245 204 H THR 27 H THR 27 -8.737 0.811 -2.648 205 HA THR 27 HA THR 27 -6.032 -0.307 -2.778 206 HB THR 27 HB THR 27 -7.053 2.129 -1.299 207 HG1 THR 27 1HG THR 27 -6.309 3.079 -3.443 208 1HG2 THR 27 1HG2 THR 27 -4.589 2.591 -2.574 209 2HG2 THR 27 2HG2 THR 27 -4.462 0.977 -1.873 210 3HG2 THR 27 3HG2 THR 27 -4.861 2.355 -0.848 211 H PHE 28 H PHE 28 -5.343 -1.702 -1.251 212 HA PHE 28 HA PHE 28 -6.720 -1.704 1.410 213 1HB PHE 28 2HB PHE 28 -5.364 -3.849 -0.239 214 2HB PHE 28 1HB PHE 28 -5.982 -4.103 1.385 215 HD1 PHE 28 1HD PHE 28 -6.805 -5.348 -1.405 216 HD2 PHE 28 2HD PHE 28 -8.446 -2.290 1.126 217 HE1 PHE 28 1HE PHE 28 -9.067 -5.788 -2.334 218 HE2 PHE 28 2HE PHE 28 -10.703 -2.728 0.201 219 HZ PHE 28 HZ PHE 28 -11.013 -4.480 -1.530 220 H TRP 29 H TRP 29 -5.305 -2.462 3.208 221 HA TRP 29 HA TRP 29 -2.537 -1.377 2.967 222 1HB TRP 29 2HB TRP 29 -4.550 -1.857 5.165 223 2HB TRP 29 1HB TRP 29 -2.837 -1.796 5.576 224 HD1 TRP 29 HD TRP 29 -5.674 0.382 5.452 225 HE1 TRP 29 1HE TRP 29 -4.999 2.853 5.163 226 HE3 TRP 29 3HE TRP 29 -0.818 -0.194 3.967 227 HZ2 TRP 29 2HZ TRP 29 -2.706 4.383 4.405 228 HZ3 TRP 29 3HZ TRP 29 0.585 1.788 3.470 229 HH2 TRP 29 HH TRP 29 -0.351 4.072 3.687 230 H VAL 30 H VAL 30 -0.990 -3.021 2.684 231 HA VAL 30 HA VAL 30 -1.655 -5.643 3.905 232 HB VAL 30 HB VAL 30 -2.544 -5.843 1.759 233 1HG1 VAL 30 1HG1 VAL 30 -1.221 -5.087 -0.285 234 2HG1 VAL 30 2HG1 VAL 30 -0.132 -4.269 0.835 235 3HG1 VAL 30 3HG1 VAL 30 -1.827 -3.791 0.747 236 1HG2 VAL 30 1HG2 VAL 30 0.151 -6.711 0.933 237 2HG2 VAL 30 2HG2 VAL 30 -1.384 -7.581 0.907 238 3HG2 VAL 30 3HG2 VAL 30 -0.491 -7.410 2.416 239 H HIS 31 H HIS 31 0.093 -7.065 4.125 240 HA HIS 31 HA HIS 31 2.555 -5.921 4.995 241 1HB HIS 31 2HB HIS 31 1.204 -8.266 5.250 242 2HB HIS 31 1HB HIS 31 2.469 -8.760 4.128 243 HD1 HIS 31 1HD HIS 31 4.197 -9.893 5.546 244 HD2 HIS 31 2HD HIS 31 2.846 -6.355 7.290 245 HE1 HIS 31 1HE HIS 31 5.610 -9.529 7.618 246 HA PRO 32 HA PRO 32 4.849 -5.621 1.243 247 1HB PRO 32 2HB PRO 32 7.380 -5.892 2.245 248 2HB PRO 32 1HB PRO 32 6.409 -4.426 2.458 249 1HG PRO 32 2HG PRO 32 6.903 -6.649 4.369 250 2HG PRO 32 1HG PRO 32 6.818 -4.905 4.666 251 1HD PRO 32 2HD PRO 32 4.776 -6.616 5.216 252 2HD PRO 32 1HD PRO 32 4.530 -4.907 4.798 253 H LYS 33 H LYS 33 3.789 -7.906 0.920 254 HA LYS 33 HA LYS 33 5.769 -9.735 -0.064 255 1HB LYS 33 2HB LYS 33 5.186 -11.513 1.745 256 2HB LYS 33 1HB LYS 33 6.311 -10.230 2.188 257 1HG LYS 33 2HG LYS 33 4.931 -9.584 3.842 258 2HG LYS 33 1HG LYS 33 3.654 -9.277 2.669 259 1HD LYS 33 2HD LYS 33 4.264 -12.044 3.733 260 2HD LYS 33 1HD LYS 33 3.084 -10.970 4.485 261 1HE LYS 33 2HE LYS 33 1.848 -10.831 2.331 262 2HE LYS 33 1HE LYS 33 3.009 -11.967 1.615 263 1HZ LYS 33 1HZ LYS 33 0.860 -12.870 2.740 264 2HZ LYS 33 2HZ LYS 33 1.731 -12.629 4.178 265 3HZ LYS 33 3HZ LYS 33 2.337 -13.669 2.980 266 H ALA 34 H ALA 34 2.500 -9.228 1.179 267 HA ALA 34 HA ALA 34 0.998 -11.362 0.322 268 1HB ALA 34 1HB ALA 34 -0.777 -9.751 0.038 269 2HB ALA 34 2HB ALA 34 0.372 -8.469 -0.337 270 3HB ALA 34 3HB ALA 34 0.287 -9.127 1.297 271 H THR 35 H THR 35 2.014 -12.397 -1.542 272 HA THR 35 HA THR 35 2.871 -11.362 -3.945 273 HB THR 35 HB THR 35 1.411 -13.573 -4.721 274 HG1 THR 35 1HG THR 35 1.868 -14.869 -2.679 275 1HG2 THR 35 1HG2 THR 35 4.028 -13.531 -3.194 276 2HG2 THR 35 2HG2 THR 35 3.853 -13.223 -4.922 277 3HG2 THR 35 3HG2 THR 35 3.479 -14.817 -4.269 278 H LYS 36 H LYS 36 1.944 -10.375 -5.723 279 HA LYS 36 HA LYS 36 -0.413 -8.944 -5.712 280 1HB LYS 36 2HB LYS 36 1.345 -10.194 -7.744 281 2HB LYS 36 1HB LYS 36 -0.255 -9.733 -8.326 282 1HG LYS 36 2HG LYS 36 0.958 -7.682 -6.624 283 2HG LYS 36 1HG LYS 36 1.916 -8.026 -8.065 284 1HD LYS 36 2HD LYS 36 0.204 -7.393 -9.520 285 2HD LYS 36 1HD LYS 36 -1.055 -7.669 -8.317 286 1HE LYS 36 2HE LYS 36 -0.917 -5.528 -7.578 287 2HE LYS 36 1HE LYS 36 0.850 -5.627 -7.440 288 1HZ LYS 36 1HZ LYS 36 0.848 -5.557 -9.960 289 2HZ LYS 36 2HZ LYS 36 0.468 -4.104 -9.166 290 3HZ LYS 36 3HZ LYS 36 -0.766 -5.048 -9.854 291 H THR 37 H THR 37 -0.036 -12.376 -6.577 292 HA THR 37 HA THR 37 -2.825 -12.759 -7.275 293 HB THR 37 HB THR 37 -0.501 -14.529 -6.652 294 HG1 THR 37 1HG THR 37 -0.237 -14.488 -8.736 295 1HG2 THR 37 1HG2 THR 37 -2.734 -15.575 -6.037 296 2HG2 THR 37 2HG2 THR 37 -1.790 -16.453 -7.239 297 3HG2 THR 37 3HG2 THR 37 -3.152 -15.455 -7.746 298 H GLU 38 H GLU 38 -0.867 -13.140 -4.354 299 HA GLU 38 HA GLU 38 -2.732 -14.596 -2.761 300 1HB GLU 38 2HB GLU 38 -0.318 -12.944 -2.443 301 2HB GLU 38 1HB GLU 38 -1.380 -12.903 -1.036 302 1HG GLU 38 2HG GLU 38 -0.526 -15.477 -2.382 303 2HG GLU 38 1HG GLU 38 0.340 -14.769 -1.018 304 H ILE 39 H ILE 39 -2.287 -11.083 -3.236 305 HA ILE 39 HA ILE 39 -4.287 -10.166 -1.437 306 HB ILE 39 HB ILE 39 -3.093 -9.187 -4.035 307 1HG1 ILE 39 2HG1 ILE 39 -2.968 -7.766 -1.403 308 2HG1 ILE 39 1HG1 ILE 39 -2.020 -9.241 -1.595 309 1HG2 ILE 39 1HG2 ILE 39 -5.487 -8.383 -3.795 310 2HG2 ILE 39 2HG2 ILE 39 -4.277 -7.100 -3.828 311 3HG2 ILE 39 3HG2 ILE 39 -4.995 -7.595 -2.296 312 1HD1 ILE 39 1HD1 ILE 39 -0.491 -8.160 -2.844 313 2HD1 ILE 39 2HD1 ILE 39 -1.338 -6.653 -2.492 314 3HD1 ILE 39 3HD1 ILE 39 -1.742 -7.575 -3.941 315 H LYS 40 H LYS 40 -4.458 -11.557 -4.652 316 HA LYS 40 HA LYS 40 -7.186 -10.882 -5.269 317 1HB LYS 40 2HB LYS 40 -5.292 -11.757 -6.762 318 2HB LYS 40 1HB LYS 40 -5.625 -13.348 -6.081 319 1HG LYS 40 2HG LYS 40 -7.797 -13.424 -6.983 320 2HG LYS 40 1HG LYS 40 -7.828 -11.686 -7.286 321 1HD LYS 40 2HD LYS 40 -6.272 -11.876 -9.092 322 2HD LYS 40 1HD LYS 40 -5.876 -13.541 -8.664 323 1HE LYS 40 2HE LYS 40 -8.530 -13.841 -9.026 324 2HE LYS 40 1HE LYS 40 -8.245 -12.485 -10.135 325 1HZ LYS 40 1HZ LYS 40 -6.683 -13.671 -11.333 326 2HZ LYS 40 2HZ LYS 40 -7.830 -14.874 -10.978 327 3HZ LYS 40 3HZ LYS 40 -6.391 -14.776 -10.079 328 H ASN 41 H ASN 41 -5.661 -13.723 -3.770 329 HA ASN 41 HA ASN 41 -8.124 -15.174 -3.351 330 1HB ASN 41 2HB ASN 41 -5.241 -15.363 -2.641 331 2HB ASN 41 1HB ASN 41 -6.364 -16.312 -1.667 332 1HD2 ASN 41 1HD2 ASN 41 -6.230 -15.504 -5.190 333 2HD2 ASN 41 2HD2 ASN 41 -6.371 -17.114 -5.709 334 H ALA 42 H ALA 42 -6.048 -13.244 -1.098 335 HA ALA 42 HA ALA 42 -7.535 -13.798 1.245 336 1HB ALA 42 1HB ALA 42 -6.637 -11.424 1.892 337 2HB ALA 42 2HB ALA 42 -5.850 -11.483 0.308 338 3HB ALA 42 3HB ALA 42 -5.465 -12.701 1.525 339 H VAL 43 H VAL 43 -7.897 -10.996 -0.965 340 HA VAL 43 HA VAL 43 -10.163 -9.861 0.334 341 HB VAL 43 HB VAL 43 -8.504 -9.454 -1.947 342 1HG1 VAL 43 1HG1 VAL 43 -11.466 -9.306 -2.586 343 2HG1 VAL 43 2HG1 VAL 43 -10.269 -10.328 -3.385 344 3HG1 VAL 43 3HG1 VAL 43 -10.192 -8.575 -3.564 345 1HG2 VAL 43 1HG2 VAL 43 -8.757 -7.343 -1.204 346 2HG2 VAL 43 2HG2 VAL 43 -9.839 -7.993 0.027 347 3HG2 VAL 43 3HG2 VAL 43 -10.497 -7.385 -1.492 348 H GLU 44 H GLU 44 -10.010 -12.121 -2.457 349 HA GLU 44 HA GLU 44 -12.809 -12.350 -2.902 350 1HB GLU 44 2HB GLU 44 -10.325 -13.695 -3.601 351 2HB GLU 44 1HB GLU 44 -11.633 -14.859 -3.392 352 1HG GLU 44 2HG GLU 44 -12.244 -12.375 -4.930 353 2HG GLU 44 1HG GLU 44 -11.240 -13.592 -5.718 354 H THR 45 H THR 45 -10.651 -14.188 -0.741 355 HA THR 45 HA THR 45 -12.751 -15.887 0.310 356 HB THR 45 HB THR 45 -9.951 -15.676 0.309 357 HG1 THR 45 1HG THR 45 -10.273 -17.726 0.454 358 1HG2 THR 45 1HG2 THR 45 -9.268 -15.825 2.576 359 2HG2 THR 45 2HG2 THR 45 -10.935 -15.998 3.131 360 3HG2 THR 45 3HG2 THR 45 -10.371 -14.450 2.514 361 H ALA 46 H ALA 46 -11.835 -12.643 0.857 362 HA ALA 46 HA ALA 46 -13.040 -12.603 3.588 363 1HB ALA 46 1HB ALA 46 -10.757 -11.609 2.963 364 2HB ALA 46 2HB ALA 46 -11.860 -10.537 3.825 365 3HB ALA 46 3HB ALA 46 -11.655 -10.373 2.082 366 H PHE 47 H PHE 47 -13.065 -10.286 0.850 367 HA PHE 47 HA PHE 47 -15.697 -9.287 1.538 368 1HB PHE 47 2HB PHE 47 -13.675 -8.965 -0.652 369 2HB PHE 47 1HB PHE 47 -15.300 -8.326 -0.905 370 HD1 PHE 47 1HD PHE 47 -16.280 -7.017 1.232 371 HD2 PHE 47 2HD PHE 47 -12.113 -7.549 0.334 372 HE1 PHE 47 1HE PHE 47 -15.726 -5.051 2.640 373 HE2 PHE 47 2HE PHE 47 -11.559 -5.583 1.741 374 HZ PHE 47 HZ PHE 47 -13.365 -4.334 2.893 375 H LYS 48 H LYS 48 -14.529 -11.901 -0.427 376 HA LYS 48 HA LYS 48 -15.687 -13.543 -1.656 377 1HB LYS 48 2HB LYS 48 -18.152 -12.283 -0.426 378 2HB LYS 48 1HB LYS 48 -17.937 -13.964 -0.918 379 1HG LYS 48 2HG LYS 48 -15.887 -13.758 0.821 380 2HG LYS 48 1HG LYS 48 -16.982 -12.571 1.531 381 1HD LYS 48 2HD LYS 48 -18.315 -14.195 2.342 382 2HD LYS 48 1HD LYS 48 -18.441 -14.947 0.751 383 1HE LYS 48 2HE LYS 48 -15.822 -15.520 1.627 384 2HE LYS 48 1HE LYS 48 -16.871 -15.808 3.029 385 1HZ LYS 48 1HZ LYS 48 -17.188 -17.756 1.908 386 2HZ LYS 48 2HZ LYS 48 -16.926 -17.061 0.380 387 3HZ LYS 48 3HZ LYS 48 -18.407 -16.828 1.179 388 H VAL 49 H VAL 49 -15.038 -11.139 -2.954 389 HA VAL 49 HA VAL 49 -17.417 -10.641 -4.693 390 HB VAL 49 HB VAL 49 -15.976 -8.899 -3.205 391 1HG1 VAL 49 1HG1 VAL 49 -14.011 -9.578 -4.893 392 2HG1 VAL 49 2HG1 VAL 49 -14.175 -7.939 -4.262 393 3HG1 VAL 49 3HG1 VAL 49 -14.779 -8.327 -5.873 394 1HG2 VAL 49 1HG2 VAL 49 -17.037 -7.203 -4.435 395 2HG2 VAL 49 2HG2 VAL 49 -18.050 -8.624 -4.686 396 3HG2 VAL 49 3HG2 VAL 49 -16.925 -8.109 -5.943 397 H LYS 50 H LYS 50 -15.931 -9.468 -6.806 398 HA LYS 50 HA LYS 50 -14.398 -11.839 -7.827 399 1HB LYS 50 2HB LYS 50 -16.687 -11.262 -8.816 400 2HB LYS 50 1HB LYS 50 -15.937 -9.794 -9.446 401 1HG LYS 50 2HG LYS 50 -14.794 -12.545 -9.959 402 2HG LYS 50 1HG LYS 50 -15.967 -11.790 -11.040 403 1HD LYS 50 2HD LYS 50 -14.192 -9.752 -10.744 404 2HD LYS 50 1HD LYS 50 -13.111 -11.138 -10.595 405 1HE LYS 50 2HE LYS 50 -15.099 -11.313 -12.796 406 2HE LYS 50 1HE LYS 50 -13.826 -10.092 -12.999 407 1HZ LYS 50 1HZ LYS 50 -13.435 -12.646 -13.569 408 2HZ LYS 50 2HZ LYS 50 -13.015 -12.676 -11.924 409 3HZ LYS 50 3HZ LYS 50 -12.196 -11.641 -12.995 410 H VAL 51 H VAL 51 -12.265 -11.191 -7.563 411 HA VAL 51 HA VAL 51 -11.419 -8.420 -7.941 412 HB VAL 51 HB VAL 51 -10.107 -11.091 -7.428 413 1HG1 VAL 51 1HG1 VAL 51 -8.843 -8.456 -8.151 414 2HG1 VAL 51 2HG1 VAL 51 -8.401 -10.079 -8.679 415 3HG1 VAL 51 3HG1 VAL 51 -8.021 -9.552 -7.040 416 1HG2 VAL 51 1HG2 VAL 51 -10.598 -10.446 -5.319 417 2HG2 VAL 51 2HG2 VAL 51 -11.105 -8.848 -5.866 418 3HG2 VAL 51 3HG2 VAL 51 -9.406 -9.162 -5.513 419 H VAL 52 H VAL 52 -11.132 -7.557 -9.951 420 HA VAL 52 HA VAL 52 -10.421 -9.401 -12.202 421 HB VAL 52 HB VAL 52 -12.620 -8.231 -12.275 422 1HG1 VAL 52 1HG1 VAL 52 -12.469 -5.716 -12.723 423 2HG1 VAL 52 2HG1 VAL 52 -10.827 -5.805 -12.083 424 3HG1 VAL 52 3HG1 VAL 52 -12.195 -6.230 -11.063 425 1HG2 VAL 52 1HG2 VAL 52 -10.884 -8.573 -14.299 426 2HG2 VAL 52 2HG2 VAL 52 -11.017 -6.814 -14.335 427 3HG2 VAL 52 3HG2 VAL 52 -12.465 -7.814 -14.521 428 H LYS 53 H LYS 53 -8.844 -7.527 -10.129 429 HA LYS 53 HA LYS 53 -6.511 -7.113 -11.655 430 1HB LYS 53 2HB LYS 53 -8.692 -5.262 -12.188 431 2HB LYS 53 1HB LYS 53 -7.259 -4.406 -11.616 432 1HG LYS 53 2HG LYS 53 -6.159 -6.208 -13.369 433 2HG LYS 53 1HG LYS 53 -7.698 -5.841 -14.152 434 1HD LYS 53 2HD LYS 53 -7.207 -3.419 -13.957 435 2HD LYS 53 1HD LYS 53 -5.649 -3.806 -13.223 436 1HE LYS 53 2HE LYS 53 -4.774 -4.671 -15.224 437 2HE LYS 53 1HE LYS 53 -6.385 -4.975 -15.906 438 1HZ LYS 53 1HZ LYS 53 -5.400 -2.263 -15.216 439 2HZ LYS 53 2HZ LYS 53 -6.787 -2.666 -16.111 440 3HZ LYS 53 3HZ LYS 53 -5.242 -2.929 -16.768 441 H VAL 54 H VAL 54 -5.082 -7.040 -9.961 442 HA VAL 54 HA VAL 54 -5.778 -5.293 -7.627 443 HB VAL 54 HB VAL 54 -4.954 -8.125 -7.872 444 1HG1 VAL 54 1HG1 VAL 54 -3.767 -8.045 -5.639 445 2HG1 VAL 54 2HG1 VAL 54 -3.693 -6.290 -5.809 446 3HG1 VAL 54 3HG1 VAL 54 -2.855 -7.325 -6.966 447 1HG2 VAL 54 1HG2 VAL 54 -6.897 -6.546 -6.557 448 2HG2 VAL 54 2HG2 VAL 54 -5.905 -7.267 -5.288 449 3HG2 VAL 54 3HG2 VAL 54 -6.709 -8.298 -6.474 450 H ASN 55 H ASN 55 -4.410 -3.578 -7.608 451 HA ASN 55 HA ASN 55 -1.569 -4.021 -8.461 452 1HB ASN 55 2HB ASN 55 -3.630 -2.130 -9.240 453 2HB ASN 55 1HB ASN 55 -2.226 -1.280 -8.594 454 1HD2 ASN 55 1HD2 ASN 55 -1.485 -0.533 -10.689 455 2HD2 ASN 55 2HD2 ASN 55 -0.861 -1.599 -11.853 456 H THR 56 H THR 56 -0.304 -4.004 -6.643 457 HA THR 56 HA THR 56 -1.090 -2.156 -4.427 458 HB THR 56 HB THR 56 -1.141 -4.117 -3.261 459 HG1 THR 56 1HG THR 56 0.845 -3.206 -2.600 460 1HG2 THR 56 1HG2 THR 56 0.459 -5.282 -5.544 461 2HG2 THR 56 2HG2 THR 56 -1.231 -5.585 -5.128 462 3HG2 THR 56 3HG2 THR 56 0.057 -6.204 -4.096 463 H LEU 57 H LEU 57 0.600 -0.974 -3.413 464 HA LEU 57 HA LEU 57 3.323 -1.149 -4.591 465 1HB LEU 57 2HB LEU 57 3.061 1.471 -4.819 466 2HB LEU 57 1HB LEU 57 2.433 0.420 -6.084 467 HG LEU 57 HG LEU 57 0.569 0.951 -3.850 468 1HD1 LEU 57 1HD1 LEU 57 0.076 3.173 -5.331 469 2HD1 LEU 57 2HD1 LEU 57 1.836 3.119 -5.424 470 3HD1 LEU 57 3HD1 LEU 57 1.038 3.188 -3.853 471 1HD2 LEU 57 1HD2 LEU 57 -0.944 0.441 -5.463 472 2HD2 LEU 57 2HD2 LEU 57 0.447 -0.074 -6.417 473 3HD2 LEU 57 3HD2 LEU 57 -0.207 1.552 -6.617 474 H HIS 58 H HIS 58 4.925 -0.254 -3.187 475 HA HIS 58 HA HIS 58 4.305 -0.232 -0.380 476 1HB HIS 58 2HB HIS 58 6.606 0.160 -2.184 477 2HB HIS 58 1HB HIS 58 6.745 0.999 -0.638 478 HD1 HIS 58 1HD HIS 58 7.829 -2.002 -1.960 479 HD2 HIS 58 2HD HIS 58 5.605 -1.145 1.463 480 HE1 HIS 58 1HE HIS 58 8.082 -3.998 -0.422 481 H VAL 59 H VAL 59 3.522 1.386 0.835 482 HA VAL 59 HA VAL 59 3.683 4.191 -0.212 483 HB VAL 59 HB VAL 59 1.552 4.272 1.395 484 1HG1 VAL 59 1HG1 VAL 59 0.153 3.868 -0.577 485 2HG1 VAL 59 2HG1 VAL 59 1.493 3.043 -1.374 486 3HG1 VAL 59 3HG1 VAL 59 1.598 4.769 -1.032 487 1HG2 VAL 59 1HG2 VAL 59 1.349 1.449 0.353 488 2HG2 VAL 59 2HG2 VAL 59 0.343 2.249 1.562 489 3HG2 VAL 59 3HG2 VAL 59 1.998 1.784 1.958 490 H ARG 60 H ARG 60 4.478 5.730 1.223 491 HA ARG 60 HA ARG 60 4.564 5.200 4.111 492 1HB ARG 60 2HB ARG 60 7.211 5.680 3.798 493 2HB ARG 60 1HB ARG 60 6.531 4.061 3.861 494 1HG ARG 60 2HG ARG 60 6.544 5.356 1.188 495 2HG ARG 60 1HG ARG 60 8.122 4.919 1.842 496 1HD ARG 60 2HD ARG 60 6.671 2.658 2.412 497 2HD ARG 60 1HD ARG 60 5.956 3.166 0.868 498 HE ARG 60 HE ARG 60 8.183 3.086 -0.135 499 1HH1 ARG 60 1HH2 ARG 60 9.970 3.650 2.102 500 2HH1 ARG 60 2HH2 ARG 60 10.589 2.091 2.532 501 1HH2 ARG 60 1HH1 ARG 60 8.106 0.349 0.853 502 2HH2 ARG 60 2HH1 ARG 60 9.535 0.222 1.824 503 H GLY 61 H GLY 61 5.035 7.090 5.303 504 1HA GLY 61 2HA GLY 61 5.840 9.372 5.478 505 2HA GLY 61 1HA GLY 61 5.616 9.551 3.740 506 H LYS 62 H LYS 62 4.149 9.967 6.810 507 HA LYS 62 HA LYS 62 1.546 10.651 5.477 508 1HB LYS 62 2HB LYS 62 2.099 9.655 8.294 509 2HB LYS 62 1HB LYS 62 0.506 9.962 7.602 510 1HG LYS 62 2HG LYS 62 1.519 8.303 5.714 511 2HG LYS 62 1HG LYS 62 2.364 7.695 7.137 512 1HD LYS 62 2HD LYS 62 0.132 7.587 8.312 513 2HD LYS 62 1HD LYS 62 -0.630 7.968 6.767 514 1HE LYS 62 2HE LYS 62 -0.241 5.873 5.918 515 2HE LYS 62 1HE LYS 62 1.343 5.744 6.708 516 1HZ LYS 62 1HZ LYS 62 -1.038 5.877 8.405 517 2HZ LYS 62 2HZ LYS 62 0.431 5.065 8.665 518 3HZ LYS 62 3HZ LYS 62 -0.726 4.414 7.606 519 H LYS 63 H LYS 63 3.104 11.308 8.639 520 HA LYS 63 HA LYS 63 3.174 14.204 8.070 521 1HB LYS 63 2HB LYS 63 1.630 14.718 9.923 522 2HB LYS 63 1HB LYS 63 0.829 13.704 8.723 523 1HG LYS 63 2HG LYS 63 1.330 11.702 10.093 524 2HG LYS 63 1HG LYS 63 2.091 12.733 11.305 525 1HD LYS 63 2HD LYS 63 -0.141 12.359 12.075 526 2HD LYS 63 1HD LYS 63 -0.123 13.999 11.423 527 1HE LYS 63 2HE LYS 63 -2.109 12.876 10.570 528 2HE LYS 63 1HE LYS 63 -0.960 13.028 9.226 529 1HZ LYS 63 1HZ LYS 63 -1.990 10.718 9.774 530 2HZ LYS 63 2HZ LYS 63 -0.813 10.686 10.999 531 3HZ LYS 63 3HZ LYS 63 -0.347 10.833 9.372 532 H LYS 64 H LYS 64 4.293 15.378 9.829 533 HA LYS 64 HA LYS 64 6.080 15.556 11.370 534 1HB LYS 64 2HB LYS 64 4.116 13.561 12.309 535 2HB LYS 64 1HB LYS 64 5.699 13.437 13.078 536 1HG LYS 64 2HG LYS 64 5.034 16.205 12.917 537 2HG LYS 64 1HG LYS 64 3.637 15.357 13.580 538 1HD LYS 64 2HD LYS 64 5.792 14.167 14.873 539 2HD LYS 64 1HD LYS 64 6.240 15.871 14.802 540 1HE LYS 64 2HE LYS 64 4.315 16.552 16.004 541 2HE LYS 64 1HE LYS 64 3.483 15.013 15.706 542 1HZ LYS 64 1HZ LYS 64 6.095 14.901 17.008 543 2HZ LYS 64 2HZ LYS 64 4.725 13.923 17.241 544 3HZ LYS 64 3HZ LYS 64 4.798 15.468 17.944 545 H ARG 65 H ARG 65 7.609 14.922 9.600 546 HA ARG 65 HA ARG 65 8.441 12.114 9.411 547 1HB ARG 65 2HB ARG 65 9.112 14.756 8.175 548 2HB ARG 65 1HB ARG 65 10.290 13.451 8.028 549 1HG ARG 65 2HG ARG 65 8.448 11.977 7.155 550 2HG ARG 65 1HG ARG 65 7.392 13.391 7.145 551 1HD ARG 65 2HD ARG 65 10.029 13.728 5.801 552 2HD ARG 65 1HD ARG 65 8.849 12.684 4.985 553 HE ARG 65 HE ARG 65 7.212 14.600 5.222 554 1HH1 ARG 65 1HH1 ARG 65 9.040 16.234 7.022 555 2HH1 ARG 65 2HH1 ARG 65 9.650 17.410 5.906 556 1HH2 ARG 65 1HH2 ARG 65 8.672 15.637 3.091 557 2HH2 ARG 65 2HH2 ARG 65 9.440 17.073 3.680 558 H LEU 66 H LEU 66 10.744 14.773 9.683 559 HA LEU 66 HA LEU 66 12.733 14.875 10.980 560 1HB LEU 66 2HB LEU 66 10.338 14.492 12.725 561 2HB LEU 66 1HB LEU 66 11.921 14.409 13.499 562 HG LEU 66 HG LEU 66 12.432 16.603 12.213 563 1HD1 LEU 66 1HD1 LEU 66 10.530 16.606 10.714 564 2HD1 LEU 66 2HD1 LEU 66 10.340 17.956 11.833 565 3HD1 LEU 66 3HD1 LEU 66 9.407 16.478 12.067 566 1HD2 LEU 66 1HD2 LEU 66 10.448 17.472 14.106 567 2HD2 LEU 66 2HD2 LEU 66 12.202 17.451 14.288 568 3HD2 LEU 66 3HD2 LEU 66 11.252 16.035 14.737 569 H GLY 67 H GLY 67 13.685 12.908 9.992 570 1HA GLY 67 2HA GLY 67 13.232 10.296 11.032 571 2HA GLY 67 1HA GLY 67 14.628 10.775 10.076 572 H ARG 68 H ARG 68 13.399 11.546 13.367 573 HA ARG 68 HA ARG 68 16.139 10.933 14.383 574 1HB ARG 68 2HB ARG 68 14.347 12.896 15.744 575 2HB ARG 68 1HB ARG 68 16.106 12.924 15.598 576 1HG ARG 68 2HG ARG 68 15.900 13.535 13.222 577 2HG ARG 68 1HG ARG 68 14.142 13.475 13.360 578 1HD ARG 68 2HD ARG 68 14.075 15.578 14.219 579 2HD ARG 68 1HD ARG 68 15.315 15.179 15.425 580 HE ARG 68 HE ARG 68 16.502 15.364 12.808 581 1HH1 ARG 68 1HH1 ARG 68 17.352 16.566 15.548 582 2HH1 ARG 68 2HH1 ARG 68 17.360 18.250 15.149 583 1HH2 ARG 68 1HH2 ARG 68 15.576 17.833 12.204 584 2HH2 ARG 68 2HH2 ARG 68 16.354 18.968 13.256 585 H TYR 69 H TYR 69 13.457 9.561 14.165 586 HA TYR 69 HA TYR 69 13.511 8.295 16.827 587 1HB TYR 69 2HB TYR 69 12.087 10.208 17.222 588 2HB TYR 69 1HB TYR 69 11.195 9.910 15.729 589 HD1 TYR 69 1HD TYR 69 12.321 7.495 18.351 590 HD2 TYR 69 2HD TYR 69 8.996 9.406 16.418 591 HE1 TYR 69 1HE TYR 69 10.756 6.017 19.584 592 HE2 TYR 69 2HE TYR 69 7.430 7.929 17.650 593 HH TYR 69 HH TYR 69 8.326 6.122 20.318 594 H LEU 70 H LEU 70 14.183 7.068 14.481 595 HA LEU 70 HA LEU 70 13.572 5.377 12.929 596 1HB LEU 70 2HB LEU 70 13.047 4.796 15.630 597 2HB LEU 70 1HB LEU 70 11.664 4.169 14.734 598 HG LEU 70 HG LEU 70 14.134 3.570 13.343 599 1HD1 LEU 70 1HD1 LEU 70 14.875 3.685 15.822 600 2HD1 LEU 70 2HD1 LEU 70 15.260 2.219 14.921 601 3HD1 LEU 70 3HD1 LEU 70 13.895 2.235 16.038 602 1HD2 LEU 70 1HD2 LEU 70 13.094 1.515 13.046 603 2HD2 LEU 70 2HD2 LEU 70 11.690 2.522 13.401 604 3HD2 LEU 70 3HD2 LEU 70 12.398 1.517 14.666 605 H GLY 71 H GLY 71 12.037 7.723 12.609 606 1HA GLY 71 2HA GLY 71 9.281 6.709 12.088 607 2HA GLY 71 1HA GLY 71 9.720 8.414 12.196 608 H LYS 72 H LYS 72 10.600 9.443 10.376 609 HA LYS 72 HA LYS 72 10.662 9.805 8.028 610 1HB LYS 72 2HB LYS 72 12.502 8.572 7.100 611 2HB LYS 72 1HB LYS 72 12.846 8.764 8.818 612 1HG LYS 72 2HG LYS 72 12.227 6.518 9.301 613 2HG LYS 72 1HG LYS 72 11.443 6.315 7.735 614 1HD LYS 72 2HD LYS 72 13.430 5.998 6.622 615 2HD LYS 72 1HD LYS 72 14.331 7.049 7.715 616 1HE LYS 72 2HE LYS 72 15.099 4.830 8.200 617 2HE LYS 72 1HE LYS 72 13.952 5.210 9.501 618 1HZ LYS 72 1HZ LYS 72 12.278 3.985 8.506 619 2HZ LYS 72 2HZ LYS 72 13.644 3.024 8.197 620 3HZ LYS 72 3HZ LYS 72 13.006 4.017 6.975 621 H ARG 73 H ARG 73 10.810 8.082 5.889 622 HA ARG 73 HA ARG 73 8.066 7.213 5.594 623 1HB ARG 73 2HB ARG 73 10.604 6.858 3.975 624 2HB ARG 73 1HB ARG 73 9.011 6.368 3.397 625 1HG ARG 73 2HG ARG 73 8.201 8.603 3.409 626 2HG ARG 73 1HG ARG 73 9.560 9.172 4.380 627 1HD ARG 73 2HD ARG 73 11.101 8.645 2.488 628 2HD ARG 73 1HD ARG 73 9.695 8.183 1.508 629 HE ARG 73 HE ARG 73 8.914 10.492 1.620 630 1HH1 ARG 73 1HH2 ARG 73 10.352 10.982 4.318 631 2HH1 ARG 73 2HH2 ARG 73 11.537 12.147 3.829 632 1HH2 ARG 73 1HH1 ARG 73 11.142 11.521 0.442 633 2HH2 ARG 73 2HH1 ARG 73 11.985 12.451 1.635 634 HA PRO 74 HA PRO 74 8.962 3.247 7.515 635 1HB PRO 74 2HB PRO 74 6.363 2.430 7.636 636 2HB PRO 74 1HB PRO 74 7.064 3.570 8.801 637 1HG PRO 74 2HG PRO 74 5.346 4.100 6.434 638 2HG PRO 74 1HG PRO 74 5.330 4.865 8.031 639 1HD PRO 74 2HD PRO 74 6.457 6.007 5.826 640 2HD PRO 74 1HD PRO 74 7.001 6.335 7.486 641 H ASP 75 H ASP 75 7.623 0.985 6.879 642 HA ASP 75 HA ASP 75 7.865 0.780 3.908 643 1HB ASP 75 2HB ASP 75 9.474 -0.363 5.716 644 2HB ASP 75 1HB ASP 75 8.180 -1.560 5.748 645 H ARG 76 H ARG 76 5.579 1.190 3.653 646 HA ARG 76 HA ARG 76 3.837 -1.043 4.647 647 1HB ARG 76 2HB ARG 76 3.535 1.371 5.525 648 2HB ARG 76 1HB ARG 76 2.921 1.744 3.914 649 1HG ARG 76 2HG ARG 76 1.137 1.120 5.598 650 2HG ARG 76 1HG ARG 76 1.141 0.137 4.134 651 1HD ARG 76 2HD ARG 76 1.671 -1.755 5.282 652 2HD ARG 76 1HD ARG 76 2.888 -0.915 6.264 653 HE ARG 76 HE ARG 76 0.680 0.140 7.343 654 1HH1 ARG 76 1HH1 ARG 76 2.083 -2.672 7.996 655 2HH1 ARG 76 2HH1 ARG 76 0.659 -3.578 8.383 656 1HH2 ARG 76 1HH2 ARG 76 -1.521 -1.202 7.109 657 2HH2 ARG 76 2HH2 ARG 76 -1.381 -2.747 7.881 658 H LYS 77 H LYS 77 2.305 -1.883 3.129 659 HA LYS 77 HA LYS 77 2.772 -1.040 0.285 660 1HB LYS 77 2HB LYS 77 3.808 -3.167 0.699 661 2HB LYS 77 1HB LYS 77 2.397 -3.750 1.582 662 1HG LYS 77 2HG LYS 77 1.052 -3.655 -0.477 663 2HG LYS 77 1HG LYS 77 2.448 -3.048 -1.367 664 1HD LYS 77 2HD LYS 77 3.496 -5.091 -1.396 665 2HD LYS 77 1HD LYS 77 2.842 -5.563 0.173 666 1HE LYS 77 2HE LYS 77 1.342 -6.840 -0.954 667 2HE LYS 77 1HE LYS 77 0.598 -5.332 -1.522 668 1HZ LYS 77 1HZ LYS 77 1.540 -6.977 -3.257 669 2HZ LYS 77 2HZ LYS 77 3.051 -6.351 -2.798 670 3HZ LYS 77 3HZ LYS 77 1.861 -5.322 -3.439 671 H LYS 78 H LYS 78 0.930 -0.325 -0.703 672 HA LYS 78 HA LYS 78 -1.692 -0.956 0.557 673 1HB LYS 78 2HB LYS 78 -2.451 1.027 -0.649 674 2HB LYS 78 1HB LYS 78 -0.946 1.410 0.187 675 1HG LYS 78 2HG LYS 78 0.186 1.725 -1.751 676 2HG LYS 78 1HG LYS 78 -0.557 0.318 -2.516 677 1HD LYS 78 2HD LYS 78 -1.473 2.059 -3.769 678 2HD LYS 78 1HD LYS 78 -2.711 1.824 -2.535 679 1HE LYS 78 2HE LYS 78 -1.815 3.674 -1.213 680 2HE LYS 78 1HE LYS 78 -0.476 3.875 -2.361 681 1HZ LYS 78 1HZ LYS 78 -1.840 4.680 -3.975 682 2HZ LYS 78 2HZ LYS 78 -2.715 5.222 -2.623 683 3HZ LYS 78 3HZ LYS 78 -3.193 3.810 -3.437 684 H ALA 79 H ALA 79 -3.443 -1.791 -0.817 685 HA ALA 79 HA ALA 79 -2.473 -2.917 -3.427 686 1HB ALA 79 1HB ALA 79 -3.065 -4.270 -1.115 687 2HB ALA 79 2HB ALA 79 -3.101 -4.978 -2.734 688 3HB ALA 79 3HB ALA 79 -4.589 -4.357 -2.002 689 H ILE 80 H ILE 80 -3.595 -2.135 -5.091 690 HA ILE 80 HA ILE 80 -6.349 -1.108 -4.678 691 HB ILE 80 HB ILE 80 -4.219 -0.903 -6.807 692 1HG1 ILE 80 2HG1 ILE 80 -4.397 1.473 -6.294 693 2HG1 ILE 80 1HG1 ILE 80 -5.747 1.172 -5.209 694 1HG2 ILE 80 1HG2 ILE 80 -6.148 0.756 -7.719 695 2HG2 ILE 80 2HG2 ILE 80 -7.157 -0.513 -7.025 696 3HG2 ILE 80 3HG2 ILE 80 -5.980 -0.909 -8.276 697 1HD1 ILE 80 1HD1 ILE 80 -3.303 1.419 -4.249 698 2HD1 ILE 80 2HD1 ILE 80 -3.159 -0.266 -4.747 699 3HD1 ILE 80 3HD1 ILE 80 -4.401 0.208 -3.584 700 H VAL 81 H VAL 81 -7.887 -2.678 -4.918 701 HA VAL 81 HA VAL 81 -7.454 -4.780 -7.012 702 HB VAL 81 HB VAL 81 -9.227 -4.758 -4.550 703 1HG1 VAL 81 1HG1 VAL 81 -8.636 -7.375 -5.304 704 2HG1 VAL 81 2HG1 VAL 81 -8.924 -6.549 -6.835 705 3HG1 VAL 81 3HG1 VAL 81 -10.163 -6.537 -5.580 706 1HG2 VAL 81 1HG2 VAL 81 -7.243 -5.005 -3.467 707 2HG2 VAL 81 2HG2 VAL 81 -6.368 -5.337 -4.962 708 3HG2 VAL 81 3HG2 VAL 81 -7.247 -6.632 -4.149 709 H GLN 82 H GLN 82 -8.800 -4.660 -8.782 710 HA GLN 82 HA GLN 82 -11.215 -2.915 -8.584 711 1HB GLN 82 2HB GLN 82 -9.717 -2.342 -10.352 712 2HB GLN 82 1HB GLN 82 -9.498 -4.020 -10.821 713 1HG GLN 82 2HG GLN 82 -10.995 -3.240 -12.443 714 2HG GLN 82 1HG GLN 82 -12.084 -3.952 -11.256 715 1HE2 GLN 82 1HE2 GLN 82 -13.875 -2.584 -11.130 716 2HE2 GLN 82 2HE2 GLN 82 -13.795 -0.894 -10.992 717 H VAL 83 H VAL 83 -13.258 -3.799 -9.289 718 HA VAL 83 HA VAL 83 -13.210 -6.770 -9.474 719 HB VAL 83 HB VAL 83 -15.109 -6.894 -8.133 720 1HG1 VAL 83 1HG1 VAL 83 -14.501 -5.840 -6.157 721 2HG1 VAL 83 2HG1 VAL 83 -14.132 -4.315 -6.963 722 3HG1 VAL 83 3HG1 VAL 83 -13.005 -5.667 -7.076 723 1HG2 VAL 83 1HG2 VAL 83 -16.665 -5.034 -7.759 724 2HG2 VAL 83 2HG2 VAL 83 -16.450 -5.320 -9.490 725 3HG2 VAL 83 3HG2 VAL 83 -15.632 -3.961 -8.708 726 H ALA 84 H ALA 84 -14.870 -7.699 -10.833 727 HA ALA 84 HA ALA 84 -15.174 -6.314 -13.347 728 1HB ALA 84 1HB ALA 84 -15.642 -8.889 -12.114 729 2HB ALA 84 2HB ALA 84 -15.314 -8.507 -13.808 730 3HB ALA 84 3HB ALA 84 -16.969 -8.457 -13.190 731 HA PRO 85 HA PRO 85 -19.109 -4.433 -12.978 732 1HB PRO 85 2HB PRO 85 -20.530 -5.374 -15.120 733 2HB PRO 85 1HB PRO 85 -19.188 -4.238 -15.280 734 1HG PRO 85 2HG PRO 85 -19.248 -7.135 -15.761 735 2HG PRO 85 1HG PRO 85 -18.371 -5.874 -16.621 736 1HD PRO 85 2HD PRO 85 -17.217 -7.562 -14.792 737 2HD PRO 85 1HD PRO 85 -16.597 -5.952 -15.182 738 H GLY 86 H GLY 86 -21.046 -4.769 -11.892 739 1HA GLY 86 2HA GLY 86 -23.059 -6.144 -11.483 740 2HA GLY 86 1HA GLY 86 -22.056 -7.576 -11.714 741 H GLN 87 H GLN 87 -19.820 -6.501 -10.125 742 HA GLN 87 HA GLN 87 -21.039 -6.880 -7.414 743 1HB GLN 87 2HB GLN 87 -18.638 -7.589 -6.894 744 2HB GLN 87 1HB GLN 87 -19.517 -8.634 -8.005 745 1HG GLN 87 2HG GLN 87 -18.127 -6.420 -9.338 746 2HG GLN 87 1HG GLN 87 -17.041 -7.527 -8.497 747 1HE2 GLN 87 1HE2 GLN 87 -20.128 -8.695 -9.757 748 2HE2 GLN 87 2HE2 GLN 87 -19.470 -9.615 -11.022 749 H LYS 88 H LYS 88 -19.600 -5.830 -5.656 750 HA LYS 88 HA LYS 88 -17.959 -3.552 -6.207 751 1HB LYS 88 2HB LYS 88 -19.710 -1.803 -5.688 752 2HB LYS 88 1HB LYS 88 -19.971 -2.647 -7.215 753 1HG LYS 88 2HG LYS 88 -21.305 -4.269 -5.442 754 2HG LYS 88 1HG LYS 88 -21.597 -2.668 -4.760 755 1HD LYS 88 2HD LYS 88 -22.076 -2.068 -7.315 756 2HD LYS 88 1HD LYS 88 -22.450 -3.791 -7.394 757 1HE LYS 88 2HE LYS 88 -24.520 -2.719 -6.832 758 2HE LYS 88 1HE LYS 88 -23.917 -3.383 -5.299 759 1HZ LYS 88 1HZ LYS 88 -22.661 -1.130 -5.193 760 2HZ LYS 88 2HZ LYS 88 -24.294 -1.198 -4.730 761 3HZ LYS 88 3HZ LYS 88 -23.866 -0.601 -6.262 762 H ILE 89 H ILE 89 -16.773 -3.813 -4.320 763 HA ILE 89 HA ILE 89 -17.821 -4.785 -1.833 764 HB ILE 89 HB ILE 89 -15.384 -3.119 -2.547 765 1HG1 ILE 89 2HG1 ILE 89 -15.897 -6.089 -2.233 766 2HG1 ILE 89 1HG1 ILE 89 -15.332 -5.243 -3.674 767 1HG2 ILE 89 1HG2 ILE 89 -16.240 -3.204 -0.063 768 2HG2 ILE 89 2HG2 ILE 89 -14.533 -3.483 -0.405 769 3HG2 ILE 89 3HG2 ILE 89 -15.606 -4.849 -0.101 770 1HD1 ILE 89 1HD1 ILE 89 -13.512 -4.553 -1.642 771 2HD1 ILE 89 2HD1 ILE 89 -13.223 -5.645 -2.997 772 3HD1 ILE 89 3HD1 ILE 89 -13.791 -6.285 -1.456 773 H GLU 90 H GLU 90 -19.797 -3.341 -1.779 774 HA GLU 90 HA GLU 90 -19.825 -0.544 -1.531 775 1HB GLU 90 2HB GLU 90 -21.912 -1.009 -0.200 776 2HB GLU 90 1HB GLU 90 -21.814 -1.916 -1.710 777 1HG GLU 90 2HG GLU 90 -20.530 -3.320 0.508 778 2HG GLU 90 1HG GLU 90 -22.238 -3.006 0.816 779 H ALA 91 H ALA 91 -18.401 -2.807 0.653 780 HA ALA 91 HA ALA 91 -18.767 -1.627 3.177 781 1HB ALA 91 1HB ALA 91 -16.826 -3.349 1.786 782 2HB ALA 91 2HB ALA 91 -17.555 -3.542 3.380 783 3HB ALA 91 3HB ALA 91 -16.152 -2.493 3.174 784 H LEU 92 H LEU 92 -16.956 -0.388 0.448 785 HA LEU 92 HA LEU 92 -15.650 1.648 2.221 786 1HB LEU 92 2HB LEU 92 -14.991 1.516 -0.669 787 2HB LEU 92 1HB LEU 92 -13.916 1.645 0.719 788 HG LEU 92 HG LEU 92 -15.296 -0.861 -0.271 789 1HD1 LEU 92 1HD1 LEU 92 -12.356 -0.688 0.091 790 2HD1 LEU 92 2HD1 LEU 92 -13.022 0.278 -1.225 791 3HD1 LEU 92 3HD1 LEU 92 -13.288 -1.465 -1.190 792 1HD2 LEU 92 1HD2 LEU 92 -15.177 -1.483 1.910 793 2HD2 LEU 92 2HD2 LEU 92 -14.140 -0.118 2.325 794 3HD2 LEU 92 3HD2 LEU 92 -13.435 -1.586 1.646 795 H GLU 93 H GLU 93 -18.007 1.220 -0.329 796 HA GLU 93 HA GLU 93 -18.149 3.781 -1.455 797 1HB GLU 93 2HB GLU 93 -20.081 1.568 -0.833 798 2HB GLU 93 1HB GLU 93 -20.693 3.072 -1.523 799 1HG GLU 93 2HG GLU 93 -20.111 1.380 -3.268 800 2HG GLU 93 1HG GLU 93 -19.177 2.866 -3.417 801 H GLY 94 H GLY 94 -19.144 2.689 1.728 802 1HA GLY 94 2HA GLY 94 -20.489 5.293 2.249 803 2HA GLY 94 1HA GLY 94 -20.595 3.865 3.282 804 H LEU 95 H LEU 95 -17.518 3.660 2.736 805 HA LEU 95 HA LEU 95 -16.584 4.622 5.211 806 1HB LEU 95 2HB LEU 95 -15.582 3.475 2.783 807 2HB LEU 95 1HB LEU 95 -14.513 4.800 3.245 808 HG LEU 95 HG LEU 95 -14.178 3.859 5.443 809 1HD1 LEU 95 1HD1 LEU 95 -15.555 1.338 5.146 810 2HD1 LEU 95 2HD1 LEU 95 -16.697 2.669 4.952 811 3HD1 LEU 95 3HD1 LEU 95 -15.726 2.547 6.419 812 1HD2 LEU 95 1HD2 LEU 95 -13.505 1.404 4.674 813 2HD2 LEU 95 2HD2 LEU 95 -12.630 2.809 4.064 814 3HD2 LEU 95 3HD2 LEU 95 -13.874 2.046 3.074 815 H ILE 96 H ILE 96 -16.948 6.321 2.129 816 HA ILE 96 HA ILE 96 -15.386 8.598 2.445 817 HB ILE 96 HB ILE 96 -18.217 8.213 1.438 818 1HG1 ILE 96 2HG1 ILE 96 -15.653 8.660 -0.109 819 2HG1 ILE 96 1HG1 ILE 96 -16.205 7.050 0.354 820 1HG2 ILE 96 1HG2 ILE 96 -17.955 10.373 0.285 821 2HG2 ILE 96 2HG2 ILE 96 -16.385 10.602 1.055 822 3HG2 ILE 96 3HG2 ILE 96 -17.853 10.589 2.032 823 1HD1 ILE 96 1HD1 ILE 96 -17.102 8.702 -1.833 824 2HD1 ILE 96 2HD1 ILE 96 -18.452 8.366 -0.749 825 3HD1 ILE 96 3HD1 ILE 96 -17.539 7.034 -1.458 Start of MODEL 16 1 1H MET 1 1HT MET 1 -3.774 -11.305 13.892 2 2H MET 1 2HT MET 1 -2.184 -11.905 13.932 3 3H MET 1 3HT MET 1 -3.369 -12.692 13.003 4 HA MET 1 HA MET 1 -2.198 -10.002 12.485 5 1HB MET 1 2HB MET 1 -1.168 -12.432 11.969 6 2HB MET 1 1HB MET 1 -2.267 -12.307 10.587 7 1HG MET 1 2HG MET 1 -0.989 -10.760 9.573 8 2HG MET 1 1HG MET 1 -0.780 -9.836 11.060 9 1HE MET 1 1HE MET 1 1.760 -10.703 12.917 10 2HE MET 1 2HE MET 1 0.806 -9.466 12.102 11 3HE MET 1 3HE MET 1 2.459 -9.777 11.583 12 H LYS 2 H LYS 2 -2.839 -10.606 9.673 13 HA LYS 2 HA LYS 2 -5.569 -9.540 9.597 14 1HB LYS 2 2HB LYS 2 -3.963 -10.473 7.219 15 2HB LYS 2 1HB LYS 2 -5.047 -9.094 7.333 16 1HG LYS 2 2HG LYS 2 -2.279 -9.332 8.551 17 2HG LYS 2 1HG LYS 2 -2.787 -8.244 7.265 18 1HD LYS 2 2HD LYS 2 -3.655 -6.747 8.723 19 2HD LYS 2 1HD LYS 2 -4.437 -8.008 9.677 20 1HE LYS 2 2HE LYS 2 -1.842 -8.491 10.321 21 2HE LYS 2 1HE LYS 2 -1.782 -6.737 10.059 22 1HZ LYS 2 1HZ LYS 2 -4.015 -6.807 11.365 23 2HZ LYS 2 2HZ LYS 2 -2.541 -6.829 12.209 24 3HZ LYS 2 3HZ LYS 2 -3.408 -8.271 11.969 25 H THR 3 H THR 3 -7.131 -11.095 9.954 26 HA THR 3 HA THR 3 -7.241 -13.806 9.835 27 HB THR 3 HB THR 3 -9.083 -11.595 9.111 28 HG1 THR 3 1HG THR 3 -10.378 -13.217 10.483 29 1HG2 THR 3 1HG2 THR 3 -9.429 -13.176 7.212 30 2HG2 THR 3 2HG2 THR 3 -10.849 -13.035 8.251 31 3HG2 THR 3 3HG2 THR 3 -9.799 -14.447 8.379 32 H ALA 4 H ALA 4 -7.112 -11.623 7.110 33 HA ALA 4 HA ALA 4 -7.323 -13.451 4.903 34 1HB ALA 4 1HB ALA 4 -6.052 -10.788 5.539 35 2HB ALA 4 2HB ALA 4 -7.478 -11.104 4.538 36 3HB ALA 4 3HB ALA 4 -5.866 -11.505 3.939 37 H TYR 5 H TYR 5 -5.896 -15.131 6.310 38 HA TYR 5 HA TYR 5 -3.763 -15.980 6.961 39 1HB TYR 5 2HB TYR 5 -2.451 -16.427 4.779 40 2HB TYR 5 1HB TYR 5 -4.073 -17.089 4.897 41 HD1 TYR 5 1HD TYR 5 -1.873 -15.440 2.776 42 HD2 TYR 5 2HD TYR 5 -5.971 -15.312 4.059 43 HE1 TYR 5 1HE TYR 5 -2.502 -14.280 0.672 44 HE2 TYR 5 2HE TYR 5 -6.584 -14.133 1.975 45 HH TYR 5 HH TYR 5 -4.132 -13.200 -0.410 46 H ASP 6 H ASP 6 -3.988 -13.231 7.418 47 HA ASP 6 HA ASP 6 -2.681 -11.414 8.031 48 1HB ASP 6 2HB ASP 6 -1.240 -12.818 9.106 49 2HB ASP 6 1HB ASP 6 -0.797 -13.684 7.638 50 H VAL 7 H VAL 7 -3.742 -11.028 5.613 51 HA VAL 7 HA VAL 7 -1.500 -9.886 3.984 52 HB VAL 7 HB VAL 7 -4.098 -10.892 2.839 53 1HG1 VAL 7 1HG1 VAL 7 -1.357 -10.838 1.585 54 2HG1 VAL 7 2HG1 VAL 7 -2.362 -9.384 1.642 55 3HG1 VAL 7 3HG1 VAL 7 -2.934 -10.825 0.792 56 1HG2 VAL 7 1HG2 VAL 7 -3.536 -13.022 3.158 57 2HG2 VAL 7 2HG2 VAL 7 -2.166 -12.517 4.140 58 3HG2 VAL 7 3HG2 VAL 7 -1.966 -12.756 2.404 59 H ILE 8 H ILE 8 -4.140 -9.138 2.300 60 HA ILE 8 HA ILE 8 -4.256 -6.411 2.863 61 HB ILE 8 HB ILE 8 -6.560 -8.198 1.991 62 1HG1 ILE 8 2HG1 ILE 8 -4.959 -6.987 -0.130 63 2HG1 ILE 8 1HG1 ILE 8 -4.012 -8.110 0.840 64 1HG2 ILE 8 1HG2 ILE 8 -7.531 -6.283 1.166 65 2HG2 ILE 8 2HG2 ILE 8 -5.978 -5.573 0.709 66 3HG2 ILE 8 3HG2 ILE 8 -6.529 -5.494 2.385 67 1HD1 ILE 8 1HD1 ILE 8 -4.953 -9.710 -0.476 68 2HD1 ILE 8 2HD1 ILE 8 -6.259 -8.643 -0.997 69 3HD1 ILE 8 3HD1 ILE 8 -6.369 -9.486 0.548 70 H LEU 9 H LEU 9 -5.647 -5.141 4.215 71 HA LEU 9 HA LEU 9 -7.348 -6.614 6.169 72 1HB LEU 9 2HB LEU 9 -6.199 -4.935 7.884 73 2HB LEU 9 1HB LEU 9 -5.448 -6.478 7.493 74 HG LEU 9 HG LEU 9 -4.664 -4.425 5.583 75 1HD1 LEU 9 1HD1 LEU 9 -3.133 -3.557 7.705 76 2HD1 LEU 9 2HD1 LEU 9 -4.735 -3.705 8.428 77 3HD1 LEU 9 3HD1 LEU 9 -4.496 -2.677 7.016 78 1HD2 LEU 9 1HD2 LEU 9 -2.739 -5.618 5.683 79 2HD2 LEU 9 2HD2 LEU 9 -3.667 -6.752 6.662 80 3HD2 LEU 9 3HD2 LEU 9 -2.675 -5.523 7.443 81 H ALA 10 H ALA 10 -6.347 -3.295 6.647 82 HA ALA 10 HA ALA 10 -9.152 -2.436 6.169 83 1HB ALA 10 1HB ALA 10 -8.693 -1.202 8.000 84 2HB ALA 10 2HB ALA 10 -7.402 -0.373 7.131 85 3HB ALA 10 3HB ALA 10 -7.057 -1.861 8.013 86 HA PRO 11 HA PRO 11 -7.955 -0.582 2.338 87 1HB PRO 11 2HB PRO 11 -10.208 0.922 1.958 88 2HB PRO 11 1HB PRO 11 -10.169 -0.834 1.706 89 1HG PRO 11 2HG PRO 11 -11.229 0.724 4.003 90 2HG PRO 11 1HG PRO 11 -11.844 -0.762 3.264 91 1HD PRO 11 2HD PRO 11 -10.414 -0.685 5.603 92 2HD PRO 11 1HD PRO 11 -10.499 -2.099 4.532 93 H VAL 12 H VAL 12 -7.879 1.788 1.451 94 HA VAL 12 HA VAL 12 -7.016 3.565 3.696 95 HB VAL 12 HB VAL 12 -5.456 4.452 2.178 96 1HG1 VAL 12 1HG1 VAL 12 -5.444 1.934 0.685 97 2HG1 VAL 12 2HG1 VAL 12 -5.617 1.694 2.422 98 3HG1 VAL 12 3HG1 VAL 12 -4.236 2.589 1.790 99 1HG2 VAL 12 1HG2 VAL 12 -5.674 4.273 -0.269 100 2HG2 VAL 12 2HG2 VAL 12 -7.112 5.022 0.429 101 3HG2 VAL 12 3HG2 VAL 12 -7.153 3.332 -0.076 102 H LEU 13 H LEU 13 -8.217 5.380 4.107 103 HA LEU 13 HA LEU 13 -10.353 6.109 2.153 104 1HB LEU 13 2HB LEU 13 -9.895 6.629 5.103 105 2HB LEU 13 1HB LEU 13 -11.231 7.330 4.190 106 HG LEU 13 HG LEU 13 -12.089 5.336 5.210 107 1HD1 LEU 13 1HD1 LEU 13 -12.158 5.756 2.515 108 2HD1 LEU 13 2HD1 LEU 13 -13.046 4.467 3.329 109 3HD1 LEU 13 3HD1 LEU 13 -11.487 4.125 2.576 110 1HD2 LEU 13 1HD2 LEU 13 -9.939 3.674 3.911 111 2HD2 LEU 13 2HD2 LEU 13 -10.962 3.276 5.290 112 3HD2 LEU 13 3HD2 LEU 13 -9.644 4.434 5.474 113 H SER 14 H SER 14 -9.528 7.629 0.741 114 HA SER 14 HA SER 14 -8.635 10.207 1.852 115 1HB SER 14 2HB SER 14 -6.752 9.064 -0.130 116 2HB SER 14 1HB SER 14 -6.417 10.012 1.317 117 HG SER 14 HG SER 14 -5.733 7.986 1.784 118 H GLU 15 H GLU 15 -8.858 11.890 0.293 119 HA GLU 15 HA GLU 15 -10.799 11.780 -1.667 120 1HB GLU 15 2HB GLU 15 -8.374 13.407 -1.122 121 2HB GLU 15 1HB GLU 15 -9.066 13.584 -2.735 122 1HG GLU 15 2HG GLU 15 -10.623 13.857 -0.145 123 2HG GLU 15 1HG GLU 15 -10.038 15.208 -1.117 124 H LYS 16 H LYS 16 -7.289 11.360 -2.294 125 HA LYS 16 HA LYS 16 -7.425 10.756 -5.032 126 1HB LYS 16 2HB LYS 16 -5.620 9.847 -2.780 127 2HB LYS 16 1HB LYS 16 -5.282 9.467 -4.469 128 1HG LYS 16 2HG LYS 16 -5.908 12.236 -4.352 129 2HG LYS 16 1HG LYS 16 -4.759 11.909 -3.053 130 1HD LYS 16 2HD LYS 16 -3.148 11.996 -4.633 131 2HD LYS 16 1HD LYS 16 -3.759 10.438 -5.191 132 1HE LYS 16 2HE LYS 16 -5.080 12.979 -6.133 133 2HE LYS 16 1HE LYS 16 -3.603 12.393 -6.924 134 1HZ LYS 16 1HZ LYS 16 -4.720 10.160 -6.994 135 2HZ LYS 16 2HZ LYS 16 -5.393 11.336 -8.019 136 3HZ LYS 16 3HZ LYS 16 -6.162 10.940 -6.557 137 H ALA 17 H ALA 17 -7.772 8.590 -2.221 138 HA ALA 17 HA ALA 17 -8.074 6.172 -3.800 139 1HB ALA 17 1HB ALA 17 -8.015 7.052 -1.029 140 2HB ALA 17 2HB ALA 17 -7.608 5.472 -1.698 141 3HB ALA 17 3HB ALA 17 -9.280 5.849 -1.282 142 H TYR 18 H TYR 18 -10.456 7.914 -1.757 143 HA TYR 18 HA TYR 18 -12.785 6.631 -2.556 144 1HB TYR 18 2HB TYR 18 -12.014 9.353 -1.637 145 2HB TYR 18 1HB TYR 18 -13.640 9.183 -2.302 146 HD1 TYR 18 1HD TYR 18 -14.332 6.427 -1.553 147 HD2 TYR 18 2HD TYR 18 -12.315 9.472 0.703 148 HE1 TYR 18 1HE TYR 18 -15.082 5.355 0.558 149 HE2 TYR 18 2HE TYR 18 -13.069 8.408 2.814 150 HH TYR 18 HH TYR 18 -15.290 5.653 2.793 151 H ALA 19 H ALA 19 -10.949 9.066 -4.347 152 HA ALA 19 HA ALA 19 -12.996 9.194 -6.475 153 1HB ALA 19 1HB ALA 19 -10.421 10.572 -5.763 154 2HB ALA 19 2HB ALA 19 -12.012 11.275 -6.056 155 3HB ALA 19 3HB ALA 19 -11.035 10.706 -7.411 156 H GLY 20 H GLY 20 -10.356 7.238 -5.672 157 1HA GLY 20 2HA GLY 20 -9.828 6.516 -8.525 158 2HA GLY 20 1HA GLY 20 -8.738 6.163 -7.182 159 H PHE 21 H PHE 21 -10.717 5.262 -5.352 160 HA PHE 21 HA PHE 21 -10.999 2.511 -6.219 161 1HB PHE 21 2HB PHE 21 -11.159 2.271 -3.960 162 2HB PHE 21 1HB PHE 21 -10.921 4.007 -3.846 163 HD1 PHE 21 1HD PHE 21 -13.008 5.509 -4.005 164 HD2 PHE 21 2HD PHE 21 -13.186 1.284 -3.272 165 HE1 PHE 21 1HE PHE 21 -15.297 5.766 -3.093 166 HE2 PHE 21 2HE PHE 21 -15.477 1.536 -2.365 167 HZ PHE 21 HZ PHE 21 -16.536 3.778 -2.274 168 H ALA 22 H ALA 22 -12.893 5.368 -6.455 169 HA ALA 22 HA ALA 22 -15.533 4.440 -6.468 170 1HB ALA 22 1HB ALA 22 -14.772 6.424 -8.520 171 2HB ALA 22 2HB ALA 22 -14.182 6.769 -6.893 172 3HB ALA 22 3HB ALA 22 -15.911 6.575 -7.182 173 H GLU 23 H GLU 23 -12.986 3.921 -8.768 174 HA GLU 23 HA GLU 23 -14.798 3.104 -10.953 175 1HB GLU 23 2HB GLU 23 -12.277 4.197 -10.756 176 2HB GLU 23 1HB GLU 23 -11.913 2.505 -11.088 177 1HG GLU 23 2HG GLU 23 -12.860 2.565 -13.185 178 2HG GLU 23 1HG GLU 23 -14.057 3.774 -12.723 179 H GLY 24 H GLY 24 -14.345 1.640 -8.195 180 1HA GLY 24 2HA GLY 24 -14.809 -0.653 -7.730 181 2HA GLY 24 1HA GLY 24 -14.315 -1.039 -9.374 182 H LYS 25 H LYS 25 -12.090 1.089 -8.164 183 HA LYS 25 HA LYS 25 -10.057 -1.000 -7.842 184 1HB LYS 25 2HB LYS 25 -10.177 2.025 -7.805 185 2HB LYS 25 1HB LYS 25 -8.676 1.165 -7.469 186 1HG LYS 25 2HG LYS 25 -8.651 0.170 -9.640 187 2HG LYS 25 1HG LYS 25 -10.321 0.639 -9.951 188 1HD LYS 25 2HD LYS 25 -9.476 3.071 -9.650 189 2HD LYS 25 1HD LYS 25 -7.866 2.385 -9.871 190 1HE LYS 25 2HE LYS 25 -9.010 1.225 -11.976 191 2HE LYS 25 1HE LYS 25 -10.109 2.612 -11.844 192 1HZ LYS 25 1HZ LYS 25 -8.033 3.017 -13.180 193 2HZ LYS 25 2HZ LYS 25 -7.158 2.879 -11.731 194 3HZ LYS 25 3HZ LYS 25 -8.309 4.115 -11.917 195 H TYR 26 H TYR 26 -9.156 -1.630 -5.829 196 HA TYR 26 HA TYR 26 -10.229 -0.212 -3.416 197 1HB TYR 26 2HB TYR 26 -9.803 -3.177 -3.867 198 2HB TYR 26 1HB TYR 26 -10.392 -2.451 -2.372 199 HD1 TYR 26 1HD TYR 26 -12.073 -0.250 -3.651 200 HD2 TYR 26 2HD TYR 26 -11.754 -4.457 -4.459 201 HE1 TYR 26 1HE TYR 26 -14.380 -0.251 -4.554 202 HE2 TYR 26 2HE TYR 26 -14.064 -4.457 -5.361 203 HH TYR 26 HH TYR 26 -15.679 -2.949 -6.274 204 H THR 27 H THR 27 -8.393 0.920 -2.868 205 HA THR 27 HA THR 27 -5.739 -0.274 -2.840 206 HB THR 27 HB THR 27 -6.738 2.305 -1.604 207 HG1 THR 27 1HG THR 27 -5.969 3.096 -3.750 208 1HG2 THR 27 1HG2 THR 27 -4.547 2.906 -1.436 209 2HG2 THR 27 2HG2 THR 27 -4.108 2.105 -2.945 210 3HG2 THR 27 3HG2 THR 27 -4.272 1.164 -1.462 211 H PHE 28 H PHE 28 -5.231 -1.684 -1.225 212 HA PHE 28 HA PHE 28 -6.418 -1.216 1.488 213 1HB PHE 28 2HB PHE 28 -6.041 -3.554 -0.289 214 2HB PHE 28 1HB PHE 28 -5.656 -3.840 1.407 215 HD1 PHE 28 1HD PHE 28 -8.294 -2.616 -0.904 216 HD2 PHE 28 2HD PHE 28 -7.355 -3.982 3.058 217 HE1 PHE 28 1HE PHE 28 -10.714 -2.707 -0.367 218 HE2 PHE 28 2HE PHE 28 -9.781 -4.074 3.596 219 HZ PHE 28 HZ PHE 28 -11.456 -3.432 1.884 220 H TRP 29 H TRP 29 -4.961 -1.940 3.282 221 HA TRP 29 HA TRP 29 -2.113 -1.344 2.631 222 1HB TRP 29 2HB TRP 29 -3.790 -1.404 5.164 223 2HB TRP 29 1HB TRP 29 -2.042 -1.174 5.189 224 HD1 TRP 29 HD TRP 29 -5.255 0.639 4.651 225 HE1 TRP 29 1HE TRP 29 -4.790 3.093 4.013 226 HE3 TRP 29 3HE TRP 29 -0.229 0.387 3.782 227 HZ2 TRP 29 2HZ TRP 29 -2.579 4.733 3.237 228 HZ3 TRP 29 3HZ TRP 29 1.033 2.411 3.096 229 HH2 TRP 29 HH TRP 29 -0.137 4.580 2.822 230 H VAL 30 H VAL 30 -0.824 -3.165 2.412 231 HA VAL 30 HA VAL 30 -1.683 -5.582 3.929 232 HB VAL 30 HB VAL 30 -2.237 -5.492 1.487 233 1HG1 VAL 30 1HG1 VAL 30 0.458 -6.211 0.658 234 2HG1 VAL 30 2HG1 VAL 30 0.385 -4.559 1.273 235 3HG1 VAL 30 3HG1 VAL 30 -0.653 -5.049 -0.066 236 1HG2 VAL 30 1HG2 VAL 30 -2.007 -7.543 2.758 237 2HG2 VAL 30 2HG2 VAL 30 -0.289 -7.593 2.370 238 3HG2 VAL 30 3HG2 VAL 30 -1.495 -7.757 1.089 239 H HIS 31 H HIS 31 0.001 -7.169 4.149 240 HA HIS 31 HA HIS 31 2.393 -6.161 5.328 241 1HB HIS 31 2HB HIS 31 1.110 -8.705 4.692 242 2HB HIS 31 1HB HIS 31 2.866 -8.810 4.568 243 HD1 HIS 31 1HD HIS 31 0.973 -6.603 6.997 244 HD2 HIS 31 2HD HIS 31 3.391 -9.998 7.050 245 HE1 HIS 31 1HE HIS 31 1.458 -7.099 9.434 246 HA PRO 32 HA PRO 32 4.944 -5.478 1.809 247 1HB PRO 32 2HB PRO 32 7.381 -5.684 3.030 248 2HB PRO 32 1HB PRO 32 6.307 -4.292 3.240 249 1HG PRO 32 2HG PRO 32 6.768 -6.604 5.051 250 2HG PRO 32 1HG PRO 32 6.529 -4.894 5.443 251 1HD PRO 32 2HD PRO 32 4.570 -6.784 5.669 252 2HD PRO 32 1HD PRO 32 4.245 -5.064 5.370 253 H LYS 33 H LYS 33 4.085 -7.775 1.175 254 HA LYS 33 HA LYS 33 6.281 -9.407 0.309 255 1HB LYS 33 2HB LYS 33 5.633 -11.345 1.914 256 2HB LYS 33 1HB LYS 33 6.589 -10.021 2.581 257 1HG LYS 33 2HG LYS 33 4.969 -9.611 4.089 258 2HG LYS 33 1HG LYS 33 3.833 -9.290 2.789 259 1HD LYS 33 2HD LYS 33 4.223 -12.121 2.954 260 2HD LYS 33 1HD LYS 33 3.867 -11.514 4.571 261 1HE LYS 33 2HE LYS 33 1.687 -11.274 4.015 262 2HE LYS 33 1HE LYS 33 2.134 -10.204 2.671 263 1HZ LYS 33 1HZ LYS 33 1.996 -13.165 2.674 264 2HZ LYS 33 2HZ LYS 33 2.824 -12.296 1.471 265 3HZ LYS 33 3HZ LYS 33 1.150 -12.084 1.678 266 H ALA 34 H ALA 34 2.866 -9.228 1.208 267 HA ALA 34 HA ALA 34 1.819 -11.456 -0.130 268 1HB ALA 34 1HB ALA 34 0.659 -8.655 0.016 269 2HB ALA 34 2HB ALA 34 0.645 -9.806 1.354 270 3HB ALA 34 3HB ALA 34 -0.249 -10.161 -0.124 271 H THR 35 H THR 35 2.434 -11.987 -2.222 272 HA THR 35 HA THR 35 3.246 -10.168 -4.255 273 HB THR 35 HB THR 35 2.752 -12.166 -5.728 274 HG1 THR 35 1HG THR 35 1.794 -13.902 -4.842 275 1HG2 THR 35 1HG2 THR 35 4.884 -11.931 -4.483 276 2HG2 THR 35 2HG2 THR 35 4.398 -13.620 -4.641 277 3HG2 THR 35 3HG2 THR 35 4.159 -12.773 -3.113 278 H LYS 36 H LYS 36 1.770 -10.520 -6.496 279 HA LYS 36 HA LYS 36 -0.567 -8.837 -6.034 280 1HB LYS 36 2HB LYS 36 1.223 -9.455 -8.101 281 2HB LYS 36 1HB LYS 36 -0.332 -10.075 -8.662 282 1HG LYS 36 2HG LYS 36 -0.913 -7.970 -9.206 283 2HG LYS 36 1HG LYS 36 -0.880 -7.567 -7.489 284 1HD LYS 36 2HD LYS 36 1.653 -7.262 -7.769 285 2HD LYS 36 1HD LYS 36 1.351 -7.293 -9.507 286 1HE LYS 36 2HE LYS 36 -0.481 -5.506 -8.055 287 2HE LYS 36 1HE LYS 36 1.223 -5.020 -7.943 288 1HZ LYS 36 1HZ LYS 36 0.047 -4.222 -9.989 289 2HZ LYS 36 2HZ LYS 36 -0.077 -5.843 -10.482 290 3HZ LYS 36 3HZ LYS 36 1.451 -5.125 -10.287 291 H THR 37 H THR 37 -0.047 -12.210 -7.097 292 HA THR 37 HA THR 37 -2.849 -12.824 -7.409 293 HB THR 37 HB THR 37 -0.612 -14.718 -6.838 294 HG1 THR 37 1HG THR 37 -0.141 -14.577 -9.053 295 1HG2 THR 37 1HG2 THR 37 -1.861 -16.163 -8.392 296 2HG2 THR 37 2HG2 THR 37 -3.058 -14.885 -8.602 297 3HG2 THR 37 3HG2 THR 37 -2.869 -15.666 -7.032 298 H GLU 38 H GLU 38 -0.499 -13.439 -4.801 299 HA GLU 38 HA GLU 38 -2.130 -14.959 -3.071 300 1HB GLU 38 2HB GLU 38 0.204 -13.112 -2.847 301 2HB GLU 38 1HB GLU 38 -0.608 -13.566 -1.349 302 1HG GLU 38 2HG GLU 38 -0.450 -15.997 -2.276 303 2HG GLU 38 1HG GLU 38 0.788 -15.335 -3.345 304 H ILE 39 H ILE 39 -1.769 -11.402 -3.240 305 HA ILE 39 HA ILE 39 -3.498 -10.690 -1.113 306 HB ILE 39 HB ILE 39 -2.651 -9.468 -3.740 307 1HG1 ILE 39 2HG1 ILE 39 -2.165 -8.615 -0.873 308 2HG1 ILE 39 1HG1 ILE 39 -1.091 -9.691 -1.766 309 1HG2 ILE 39 1HG2 ILE 39 -3.779 -7.423 -3.253 310 2HG2 ILE 39 2HG2 ILE 39 -4.248 -7.979 -1.650 311 3HG2 ILE 39 3HG2 ILE 39 -4.999 -8.683 -3.079 312 1HD1 ILE 39 1HD1 ILE 39 -0.219 -7.445 -1.980 313 2HD1 ILE 39 2HD1 ILE 39 -1.798 -6.829 -2.468 314 3HD1 ILE 39 3HD1 ILE 39 -0.903 -7.908 -3.538 315 H LYS 40 H LYS 40 -4.208 -11.722 -4.401 316 HA LYS 40 HA LYS 40 -6.906 -10.886 -4.660 317 1HB LYS 40 2HB LYS 40 -5.303 -11.871 -6.355 318 2HB LYS 40 1HB LYS 40 -5.637 -13.450 -5.652 319 1HG LYS 40 2HG LYS 40 -7.846 -13.469 -6.383 320 2HG LYS 40 1HG LYS 40 -7.930 -11.712 -6.497 321 1HD LYS 40 2HD LYS 40 -6.720 -11.659 -8.518 322 2HD LYS 40 1HD LYS 40 -6.068 -13.279 -8.272 323 1HE LYS 40 2HE LYS 40 -9.045 -12.849 -8.574 324 2HE LYS 40 1HE LYS 40 -7.994 -13.042 -9.991 325 1HZ LYS 40 1HZ LYS 40 -8.942 -15.153 -8.922 326 2HZ LYS 40 2HZ LYS 40 -7.805 -14.883 -7.689 327 3HZ LYS 40 3HZ LYS 40 -7.286 -15.127 -9.287 328 H ASN 41 H ASN 41 -5.598 -13.937 -3.353 329 HA ASN 41 HA ASN 41 -8.022 -15.310 -2.924 330 1HB ASN 41 2HB ASN 41 -5.343 -15.301 -1.530 331 2HB ASN 41 1HB ASN 41 -6.599 -16.481 -1.151 332 1HD2 ASN 41 1HD2 ASN 41 -4.249 -15.499 -3.581 333 2HD2 ASN 41 2HD2 ASN 41 -4.491 -16.821 -4.618 334 H ALA 42 H ALA 42 -6.440 -12.933 -0.756 335 HA ALA 42 HA ALA 42 -8.225 -13.469 1.464 336 1HB ALA 42 1HB ALA 42 -7.150 -10.854 1.639 337 2HB ALA 42 2HB ALA 42 -5.942 -11.839 0.816 338 3HB ALA 42 3HB ALA 42 -6.537 -12.321 2.406 339 H VAL 43 H VAL 43 -8.129 -10.743 -0.886 340 HA VAL 43 HA VAL 43 -10.494 -9.499 0.170 341 HB VAL 43 HB VAL 43 -8.502 -9.065 -1.814 342 1HG1 VAL 43 1HG1 VAL 43 -10.021 -9.794 -3.556 343 2HG1 VAL 43 2HG1 VAL 43 -9.927 -8.034 -3.606 344 3HG1 VAL 43 3HG1 VAL 43 -11.329 -8.823 -2.877 345 1HG2 VAL 43 1HG2 VAL 43 -9.600 -7.596 0.048 346 2HG2 VAL 43 2HG2 VAL 43 -10.744 -7.154 -1.220 347 3HG2 VAL 43 3HG2 VAL 43 -9.025 -6.816 -1.426 348 H GLU 44 H GLU 44 -10.033 -11.762 -2.572 349 HA GLU 44 HA GLU 44 -12.683 -11.749 -3.566 350 1HB GLU 44 2HB GLU 44 -10.281 -13.133 -3.957 351 2HB GLU 44 1HB GLU 44 -11.444 -14.389 -3.538 352 1HG GLU 44 2HG GLU 44 -12.158 -12.264 -5.548 353 2HG GLU 44 1HG GLU 44 -11.228 -13.680 -6.039 354 H THR 45 H THR 45 -11.260 -13.690 -0.926 355 HA THR 45 HA THR 45 -13.771 -15.090 -0.377 356 HB THR 45 HB THR 45 -12.460 -16.081 1.412 357 HG1 THR 45 1HG THR 45 -11.011 -14.942 2.383 358 1HG2 THR 45 1HG2 THR 45 -10.158 -16.265 -0.032 359 2HG2 THR 45 2HG2 THR 45 -11.275 -15.686 -1.267 360 3HG2 THR 45 3HG2 THR 45 -11.621 -17.179 -0.397 361 H ALA 46 H ALA 46 -11.874 -12.528 1.242 362 HA ALA 46 HA ALA 46 -13.646 -12.095 3.438 363 1HB ALA 46 1HB ALA 46 -11.693 -10.321 1.943 364 2HB ALA 46 2HB ALA 46 -11.371 -11.269 3.395 365 3HB ALA 46 3HB ALA 46 -12.439 -9.869 3.475 366 H PHE 47 H PHE 47 -13.232 -9.864 0.662 367 HA PHE 47 HA PHE 47 -15.795 -8.602 1.115 368 1HB PHE 47 2HB PHE 47 -13.823 -8.578 -1.184 369 2HB PHE 47 1HB PHE 47 -15.176 -7.455 -1.022 370 HD1 PHE 47 1HD PHE 47 -15.337 -6.060 1.125 371 HD2 PHE 47 2HD PHE 47 -11.792 -8.181 -0.043 372 HE1 PHE 47 1HE PHE 47 -13.993 -4.664 2.672 373 HE2 PHE 47 2HE PHE 47 -10.446 -6.783 1.502 374 HZ PHE 47 HZ PHE 47 -11.549 -5.027 2.861 375 H LYS 48 H LYS 48 -15.036 -11.573 -0.200 376 HA LYS 48 HA LYS 48 -16.150 -13.041 -1.681 377 1HB LYS 48 2HB LYS 48 -18.325 -11.488 -0.254 378 2HB LYS 48 1HB LYS 48 -18.648 -12.939 -1.203 379 1HG LYS 48 2HG LYS 48 -16.607 -13.835 0.340 380 2HG LYS 48 1HG LYS 48 -17.334 -12.664 1.442 381 1HD LYS 48 2HD LYS 48 -18.760 -14.356 1.963 382 2HD LYS 48 1HD LYS 48 -19.555 -13.927 0.447 383 1HE LYS 48 2HE LYS 48 -19.185 -16.190 0.057 384 2HE LYS 48 1HE LYS 48 -17.646 -15.545 -0.547 385 1HZ LYS 48 1HZ LYS 48 -18.021 -16.158 2.318 386 2HZ LYS 48 2HZ LYS 48 -16.571 -16.007 1.444 387 3HZ LYS 48 3HZ LYS 48 -17.558 -17.374 1.230 388 H VAL 49 H VAL 49 -15.251 -10.723 -3.016 389 HA VAL 49 HA VAL 49 -17.531 -10.104 -4.849 390 HB VAL 49 HB VAL 49 -15.838 -8.479 -3.399 391 1HG1 VAL 49 1HG1 VAL 49 -14.914 -8.071 -6.215 392 2HG1 VAL 49 2HG1 VAL 49 -14.072 -9.227 -5.184 393 3HG1 VAL 49 3HG1 VAL 49 -14.175 -7.534 -4.707 394 1HG2 VAL 49 1HG2 VAL 49 -17.912 -7.712 -4.224 395 2HG2 VAL 49 2HG2 VAL 49 -17.436 -7.999 -5.898 396 3HG2 VAL 49 3HG2 VAL 49 -16.695 -6.686 -4.983 397 H LYS 50 H LYS 50 -16.090 -9.244 -7.021 398 HA LYS 50 HA LYS 50 -14.692 -11.748 -7.890 399 1HB LYS 50 2HB LYS 50 -16.890 -10.547 -8.938 400 2HB LYS 50 1HB LYS 50 -15.628 -9.721 -9.857 401 1HG LYS 50 2HG LYS 50 -15.365 -12.673 -9.561 402 2HG LYS 50 1HG LYS 50 -16.635 -12.086 -10.637 403 1HD LYS 50 2HD LYS 50 -14.484 -10.488 -11.314 404 2HD LYS 50 1HD LYS 50 -13.721 -12.046 -10.988 405 1HE LYS 50 2HE LYS 50 -15.675 -13.014 -12.459 406 2HE LYS 50 1HE LYS 50 -15.775 -11.352 -13.076 407 1HZ LYS 50 1HZ LYS 50 -13.155 -11.670 -13.055 408 2HZ LYS 50 2HZ LYS 50 -14.106 -12.089 -14.399 409 3HZ LYS 50 3HZ LYS 50 -13.602 -13.288 -13.305 410 H VAL 51 H VAL 51 -12.501 -11.390 -7.666 411 HA VAL 51 HA VAL 51 -11.347 -8.721 -7.909 412 HB VAL 51 HB VAL 51 -10.331 -11.545 -7.563 413 1HG1 VAL 51 1HG1 VAL 51 -8.396 -10.847 -8.531 414 2HG1 VAL 51 2HG1 VAL 51 -8.167 -9.916 -7.051 415 3HG1 VAL 51 3HG1 VAL 51 -8.875 -9.152 -8.474 416 1HG2 VAL 51 1HG2 VAL 51 -11.159 -9.378 -5.855 417 2HG2 VAL 51 2HG2 VAL 51 -9.446 -9.703 -5.579 418 3HG2 VAL 51 3HG2 VAL 51 -10.630 -10.997 -5.394 419 H VAL 52 H VAL 52 -10.987 -7.793 -9.839 420 HA VAL 52 HA VAL 52 -10.620 -9.515 -12.244 421 HB VAL 52 HB VAL 52 -11.824 -6.879 -11.611 422 1HG1 VAL 52 1HG1 VAL 52 -10.784 -7.785 -14.278 423 2HG1 VAL 52 2HG1 VAL 52 -10.578 -6.215 -13.495 424 3HG1 VAL 52 3HG1 VAL 52 -12.154 -6.679 -14.154 425 1HG2 VAL 52 1HG2 VAL 52 -12.665 -9.414 -12.986 426 2HG2 VAL 52 2HG2 VAL 52 -13.628 -7.941 -13.076 427 3HG2 VAL 52 3HG2 VAL 52 -13.320 -8.702 -11.513 428 H LYS 53 H LYS 53 -8.949 -7.517 -10.125 429 HA LYS 53 HA LYS 53 -6.478 -7.629 -11.498 430 1HB LYS 53 2HB LYS 53 -6.659 -5.989 -13.047 431 2HB LYS 53 1HB LYS 53 -8.356 -5.827 -12.620 432 1HG LYS 53 2HG LYS 53 -7.576 -3.658 -12.299 433 2HG LYS 53 1HG LYS 53 -7.436 -4.319 -10.674 434 1HD LYS 53 2HD LYS 53 -5.315 -3.429 -10.905 435 2HD LYS 53 1HD LYS 53 -5.030 -5.044 -11.556 436 1HE LYS 53 2HE LYS 53 -5.970 -3.629 -13.763 437 2HE LYS 53 1HE LYS 53 -4.923 -2.463 -12.930 438 1HZ LYS 53 1HZ LYS 53 -3.207 -4.147 -12.774 439 2HZ LYS 53 2HZ LYS 53 -3.643 -3.919 -14.400 440 3HZ LYS 53 3HZ LYS 53 -4.202 -5.280 -13.551 441 H VAL 54 H VAL 54 -4.906 -7.076 -10.008 442 HA VAL 54 HA VAL 54 -5.725 -5.346 -7.710 443 HB VAL 54 HB VAL 54 -4.951 -8.175 -7.822 444 1HG1 VAL 54 1HG1 VAL 54 -2.781 -7.480 -7.053 445 2HG1 VAL 54 2HG1 VAL 54 -3.666 -8.032 -5.631 446 3HG1 VAL 54 3HG1 VAL 54 -3.485 -6.304 -5.942 447 1HG2 VAL 54 1HG2 VAL 54 -6.357 -8.302 -5.991 448 2HG2 VAL 54 2HG2 VAL 54 -6.947 -6.804 -6.712 449 3HG2 VAL 54 3HG2 VAL 54 -5.828 -6.747 -5.348 450 H ASN 55 H ASN 55 -4.365 -3.613 -7.682 451 HA ASN 55 HA ASN 55 -1.531 -4.046 -8.558 452 1HB ASN 55 2HB ASN 55 -3.602 -1.996 -9.086 453 2HB ASN 55 1HB ASN 55 -1.993 -1.353 -8.755 454 1HD2 ASN 55 1HD2 ASN 55 -1.147 -0.882 -10.810 455 2HD2 ASN 55 2HD2 ASN 55 -1.101 -1.983 -12.101 456 H THR 56 H THR 56 -0.226 -4.062 -6.787 457 HA THR 56 HA THR 56 -0.951 -2.266 -4.504 458 HB THR 56 HB THR 56 -0.836 -4.175 -3.287 459 HG1 THR 56 1HG THR 56 1.845 -4.271 -4.199 460 1HG2 THR 56 1HG2 THR 56 -0.101 -6.342 -4.278 461 2HG2 THR 56 2HG2 THR 56 0.382 -5.479 -5.737 462 3HG2 THR 56 3HG2 THR 56 -1.316 -5.518 -5.255 463 H LEU 57 H LEU 57 0.788 -1.092 -3.520 464 HA LEU 57 HA LEU 57 3.438 -1.186 -4.873 465 1HB LEU 57 2HB LEU 57 3.282 1.228 -5.348 466 2HB LEU 57 1HB LEU 57 1.951 0.369 -6.121 467 HG LEU 57 HG LEU 57 1.037 0.990 -3.539 468 1HD1 LEU 57 1HD1 LEU 57 2.544 3.280 -4.825 469 2HD1 LEU 57 2HD1 LEU 57 2.784 2.617 -3.210 470 3HD1 LEU 57 3HD1 LEU 57 1.309 3.507 -3.586 471 1HD2 LEU 57 1HD2 LEU 57 -0.705 1.390 -4.914 472 2HD2 LEU 57 2HD2 LEU 57 0.375 1.461 -6.307 473 3HD2 LEU 57 3HD2 LEU 57 0.052 2.918 -5.368 474 H HIS 58 H HIS 58 5.111 -0.536 -3.486 475 HA HIS 58 HA HIS 58 4.606 -0.473 -0.653 476 1HB HIS 58 2HB HIS 58 6.838 -0.386 -2.548 477 2HB HIS 58 1HB HIS 58 7.143 0.575 -1.101 478 HD1 HIS 58 1HD HIS 58 8.184 -2.466 -2.042 479 HD2 HIS 58 2HD HIS 58 5.672 -1.405 1.113 480 HE1 HIS 58 1HE HIS 58 8.293 -4.365 -0.371 481 H VAL 59 H VAL 59 4.018 1.225 0.584 482 HA VAL 59 HA VAL 59 4.422 3.994 -0.497 483 HB VAL 59 HB VAL 59 2.371 4.250 1.246 484 1HG1 VAL 59 1HG1 VAL 59 2.707 4.467 -1.444 485 2HG1 VAL 59 2HG1 VAL 59 1.163 4.718 -0.630 486 3HG1 VAL 59 3HG1 VAL 59 1.526 3.159 -1.371 487 1HG2 VAL 59 1HG2 VAL 59 2.016 1.478 0.069 488 2HG2 VAL 59 2HG2 VAL 59 0.865 2.342 1.088 489 3HG2 VAL 59 3HG2 VAL 59 2.403 1.800 1.759 490 H ARG 60 H ARG 60 6.120 4.848 0.662 491 HA ARG 60 HA ARG 60 6.443 4.113 3.528 492 1HB ARG 60 2HB ARG 60 8.243 5.877 1.866 493 2HB ARG 60 1HB ARG 60 8.675 4.842 3.225 494 1HG ARG 60 2HG ARG 60 7.978 4.028 0.401 495 2HG ARG 60 1HG ARG 60 9.439 3.659 1.316 496 1HD ARG 60 2HD ARG 60 7.735 2.457 2.958 497 2HD ARG 60 1HD ARG 60 6.722 2.395 1.505 498 HE ARG 60 HE ARG 60 8.179 0.700 0.765 499 1HH1 ARG 60 1HH1 ARG 60 9.720 2.544 3.193 500 2HH1 ARG 60 2HH1 ARG 60 11.318 2.010 2.792 501 1HH2 ARG 60 1HH2 ARG 60 10.303 0.206 0.010 502 2HH2 ARG 60 2HH2 ARG 60 11.649 0.687 0.989 503 H GLY 61 H GLY 61 5.442 5.443 4.983 504 1HA GLY 61 2HA GLY 61 5.915 8.143 5.364 505 2HA GLY 61 1HA GLY 61 4.542 8.113 4.256 506 H LYS 62 H LYS 62 5.211 8.414 7.425 507 HA LYS 62 HA LYS 62 2.492 7.766 8.244 508 1HB LYS 62 2HB LYS 62 4.387 5.694 8.190 509 2HB LYS 62 1HB LYS 62 4.278 6.160 9.888 510 1HG LYS 62 2HG LYS 62 1.990 5.666 10.012 511 2HG LYS 62 1HG LYS 62 1.772 5.780 8.265 512 1HD LYS 62 2HD LYS 62 1.714 3.428 8.983 513 2HD LYS 62 1HD LYS 62 3.128 3.729 7.971 514 1HE LYS 62 2HE LYS 62 4.507 3.087 9.647 515 2HE LYS 62 1HE LYS 62 3.767 4.268 10.748 516 1HZ LYS 62 1HZ LYS 62 3.285 2.130 11.622 517 2HZ LYS 62 2HZ LYS 62 2.795 1.537 10.108 518 3HZ LYS 62 3HZ LYS 62 1.849 2.693 10.917 519 H LYS 63 H LYS 63 5.804 8.007 9.612 520 HA LYS 63 HA LYS 63 4.748 10.089 11.500 521 1HB LYS 63 2HB LYS 63 6.676 7.786 11.815 522 2HB LYS 63 1HB LYS 63 6.688 9.141 12.945 523 1HG LYS 63 2HG LYS 63 5.184 7.711 13.996 524 2HG LYS 63 1HG LYS 63 4.086 8.697 13.030 525 1HD LYS 63 2HD LYS 63 3.646 6.997 11.539 526 2HD LYS 63 1HD LYS 63 5.240 6.269 11.736 527 1HE LYS 63 2HE LYS 63 4.396 4.804 13.240 528 2HE LYS 63 1HE LYS 63 3.836 6.149 14.254 529 1HZ LYS 63 1HZ LYS 63 1.912 4.976 13.549 530 2HZ LYS 63 2HZ LYS 63 2.438 4.933 11.934 531 3HZ LYS 63 3HZ LYS 63 1.966 6.405 12.637 532 H LYS 64 H LYS 64 6.885 11.272 12.448 533 HA LYS 64 HA LYS 64 7.922 13.034 10.615 534 1HB LYS 64 2HB LYS 64 8.285 13.211 13.006 535 2HB LYS 64 1HB LYS 64 9.248 11.733 13.012 536 1HG LYS 64 2HG LYS 64 11.100 12.917 12.546 537 2HG LYS 64 1HG LYS 64 10.353 13.525 11.068 538 1HD LYS 64 2HD LYS 64 9.295 15.345 12.300 539 2HD LYS 64 1HD LYS 64 9.916 14.710 13.824 540 1HE LYS 64 2HE LYS 64 11.825 15.376 11.585 541 2HE LYS 64 1HE LYS 64 11.244 16.646 12.681 542 1HZ LYS 64 1HZ LYS 64 12.449 14.064 13.534 543 2HZ LYS 64 2HZ LYS 64 11.917 15.307 14.563 544 3HZ LYS 64 3HZ LYS 64 13.251 15.559 13.541 545 H ARG 65 H ARG 65 9.460 12.975 8.983 546 HA ARG 65 HA ARG 65 11.040 10.440 8.674 547 1HB ARG 65 2HB ARG 65 10.722 10.941 6.183 548 2HB ARG 65 1HB ARG 65 9.266 10.460 7.056 549 1HG ARG 65 2HG ARG 65 9.846 13.365 7.059 550 2HG ARG 65 1HG ARG 65 9.407 12.681 5.493 551 1HD ARG 65 2HD ARG 65 7.249 12.252 6.144 552 2HD ARG 65 1HD ARG 65 7.730 11.815 7.795 553 HE ARG 65 HE ARG 65 7.933 14.216 8.304 554 1HH1 ARG 65 1HH2 ARG 65 7.814 14.262 5.013 555 2HH1 ARG 65 2HH2 ARG 65 6.511 15.394 4.868 556 1HH2 ARG 65 1HH1 ARG 65 5.700 15.298 8.238 557 2HH2 ARG 65 2HH1 ARG 65 5.315 15.980 6.694 558 H LEU 66 H LEU 66 12.536 11.320 6.450 559 HA LEU 66 HA LEU 66 14.633 12.387 6.129 560 1HB LEU 66 2HB LEU 66 12.410 14.089 6.008 561 2HB LEU 66 1HB LEU 66 13.598 14.984 6.958 562 HG LEU 66 HG LEU 66 15.299 14.462 5.167 563 1HD1 LEU 66 1HD1 LEU 66 14.548 13.629 3.036 564 2HD1 LEU 66 2HD1 LEU 66 12.861 13.678 3.549 565 3HD1 LEU 66 3HD1 LEU 66 13.966 12.505 4.265 566 1HD2 LEU 66 1HD2 LEU 66 14.555 16.230 3.712 567 2HD2 LEU 66 2HD2 LEU 66 13.955 16.613 5.325 568 3HD2 LEU 66 3HD2 LEU 66 12.865 15.932 4.118 569 H GLY 67 H GLY 67 14.719 11.203 8.595 570 1HA GLY 67 2HA GLY 67 16.731 12.425 10.005 571 2HA GLY 67 1HA GLY 67 15.260 13.092 10.706 572 H ARG 68 H ARG 68 17.449 10.633 11.065 573 HA ARG 68 HA ARG 68 15.832 8.356 11.651 574 1HB ARG 68 2HB ARG 68 17.850 7.469 12.377 575 2HB ARG 68 1HB ARG 68 18.450 8.838 11.443 576 1HG ARG 68 2HG ARG 68 18.638 10.189 13.467 577 2HG ARG 68 1HG ARG 68 17.922 8.893 14.428 578 1HD ARG 68 2HD ARG 68 19.882 7.432 13.523 579 2HD ARG 68 1HD ARG 68 20.646 8.986 13.131 580 HE ARG 68 HE ARG 68 19.606 8.431 15.883 581 1HH1 ARG 68 1HH1 ARG 68 20.817 11.099 15.068 582 2HH1 ARG 68 2HH1 ARG 68 22.433 10.936 15.673 583 1HH2 ARG 68 1HH2 ARG 68 22.220 7.497 16.067 584 2HH2 ARG 68 2HH2 ARG 68 23.227 8.896 16.239 585 H TYR 69 H TYR 69 14.369 8.093 13.270 586 HA TYR 69 HA TYR 69 14.831 9.120 15.970 587 1HB TYR 69 2HB TYR 69 14.076 11.151 14.973 588 2HB TYR 69 1HB TYR 69 12.840 10.309 14.037 589 HD1 TYR 69 1HD TYR 69 13.854 10.452 17.655 590 HD2 TYR 69 2HD TYR 69 10.672 10.704 14.781 591 HE1 TYR 69 1HE TYR 69 12.223 10.805 19.491 592 HE2 TYR 69 2HE TYR 69 9.042 11.056 16.616 593 HH TYR 69 HH TYR 69 10.107 11.184 20.020 594 H LEU 70 H LEU 70 14.566 6.560 15.694 595 HA LEU 70 HA LEU 70 13.205 4.633 15.945 596 1HB LEU 70 2HB LEU 70 12.913 6.537 17.939 597 2HB LEU 70 1HB LEU 70 11.251 6.122 17.527 598 HG LEU 70 HG LEU 70 12.354 3.644 17.590 599 1HD1 LEU 70 1HD1 LEU 70 13.580 4.331 20.068 600 2HD1 LEU 70 2HD1 LEU 70 14.277 5.374 18.828 601 3HD1 LEU 70 3HD1 LEU 70 14.341 3.620 18.644 602 1HD2 LEU 70 1HD2 LEU 70 11.412 3.493 19.906 603 2HD2 LEU 70 2HD2 LEU 70 10.326 4.305 18.777 604 3HD2 LEU 70 3HD2 LEU 70 11.271 5.251 19.926 605 H GLY 71 H GLY 71 12.603 6.149 13.627 606 1HA GLY 71 2HA GLY 71 9.872 5.208 13.119 607 2HA GLY 71 1HA GLY 71 10.061 6.960 13.029 608 H LYS 72 H LYS 72 11.011 7.846 11.200 609 HA LYS 72 HA LYS 72 12.001 7.914 9.050 610 1HB LYS 72 2HB LYS 72 13.263 5.850 10.555 611 2HB LYS 72 1HB LYS 72 13.012 5.225 8.925 612 1HG LYS 72 2HG LYS 72 14.124 7.992 9.336 613 2HG LYS 72 1HG LYS 72 15.184 6.585 9.414 614 1HD LYS 72 2HD LYS 72 13.499 6.288 7.127 615 2HD LYS 72 1HD LYS 72 14.189 7.911 7.087 616 1HE LYS 72 2HE LYS 72 16.015 5.632 7.770 617 2HE LYS 72 1HE LYS 72 15.544 5.858 6.073 618 1HZ LYS 72 1HZ LYS 72 16.553 8.030 7.831 619 2HZ LYS 72 2HZ LYS 72 16.225 8.136 6.167 620 3HZ LYS 72 3HZ LYS 72 17.518 7.184 6.723 621 H ARG 73 H ARG 73 11.445 7.200 6.904 622 HA ARG 73 HA ARG 73 8.859 6.223 6.450 623 1HB ARG 73 2HB ARG 73 11.404 6.489 4.922 624 2HB ARG 73 1HB ARG 73 10.139 5.502 4.187 625 1HG ARG 73 2HG ARG 73 8.546 7.446 4.661 626 2HG ARG 73 1HG ARG 73 9.984 8.407 5.011 627 1HD ARG 73 2HD ARG 73 10.193 6.891 2.496 628 2HD ARG 73 1HD ARG 73 8.896 8.103 2.494 629 HE ARG 73 HE ARG 73 11.755 8.710 3.141 630 1HH1 ARG 73 1HH2 ARG 73 9.893 9.433 0.661 631 2HH1 ARG 73 2HH2 ARG 73 9.721 11.132 0.949 632 1HH2 ARG 73 1HH1 ARG 73 10.969 10.981 4.180 633 2HH2 ARG 73 2HH1 ARG 73 10.331 12.009 2.940 634 HA PRO 74 HA PRO 74 9.713 1.962 7.662 635 1HB PRO 74 2HB PRO 74 7.090 1.240 7.853 636 2HB PRO 74 1HB PRO 74 7.937 2.124 9.136 637 1HG PRO 74 2HG PRO 74 6.064 3.135 7.062 638 2HG PRO 74 1HG PRO 74 6.229 3.609 8.759 639 1HD PRO 74 2HD PRO 74 7.232 5.063 6.671 640 2HD PRO 74 1HD PRO 74 7.914 5.091 8.313 641 H ASP 75 H ASP 75 8.135 -0.078 6.755 642 HA ASP 75 HA ASP 75 8.238 0.212 3.783 643 1HB ASP 75 2HB ASP 75 8.863 -2.029 5.712 644 2HB ASP 75 1HB ASP 75 8.563 -2.355 4.005 645 H ARG 76 H ARG 76 6.019 0.877 3.706 646 HA ARG 76 HA ARG 76 4.024 -1.194 4.553 647 1HB ARG 76 2HB ARG 76 3.750 0.985 5.598 648 2HB ARG 76 1HB ARG 76 3.827 1.788 4.029 649 1HG ARG 76 2HG ARG 76 1.487 1.530 4.860 650 2HG ARG 76 1HG ARG 76 1.760 0.701 3.326 651 1HD ARG 76 2HD ARG 76 1.193 -1.283 4.256 652 2HD ARG 76 1HD ARG 76 2.404 -1.064 5.536 653 HE ARG 76 HE ARG 76 -0.356 0.097 5.647 654 1HH1 ARG 76 1HH1 ARG 76 0.463 -2.366 7.244 655 2HH1 ARG 76 2HH1 ARG 76 0.807 -1.664 8.790 656 1HH2 ARG 76 1HH2 ARG 76 0.984 1.579 7.575 657 2HH2 ARG 76 2HH2 ARG 76 1.101 0.570 8.977 658 H LYS 77 H LYS 77 2.651 -2.059 2.983 659 HA LYS 77 HA LYS 77 3.035 -1.077 0.170 660 1HB LYS 77 2HB LYS 77 4.135 -3.166 0.357 661 2HB LYS 77 1HB LYS 77 2.884 -3.825 1.409 662 1HG LYS 77 2HG LYS 77 1.276 -3.706 -0.505 663 2HG LYS 77 1HG LYS 77 2.608 -3.192 -1.543 664 1HD LYS 77 2HD LYS 77 3.635 -5.266 -1.493 665 2HD LYS 77 1HD LYS 77 2.970 -5.672 0.091 666 1HE LYS 77 2HE LYS 77 1.290 -6.808 -0.911 667 2HE LYS 77 1HE LYS 77 0.787 -5.326 -1.750 668 1HZ LYS 77 1HZ LYS 77 2.901 -7.233 -2.598 669 2HZ LYS 77 2HZ LYS 77 2.642 -5.722 -3.328 670 3HZ LYS 77 3HZ LYS 77 1.437 -6.918 -3.394 671 H LYS 78 H LYS 78 1.141 -0.416 -0.780 672 HA LYS 78 HA LYS 78 -1.424 -1.161 0.540 673 1HB LYS 78 2HB LYS 78 -2.283 0.832 -0.593 674 2HB LYS 78 1HB LYS 78 -0.780 1.234 0.239 675 1HG LYS 78 2HG LYS 78 0.461 1.280 -1.763 676 2HG LYS 78 1HG LYS 78 -0.759 0.359 -2.645 677 1HD LYS 78 2HD LYS 78 -0.678 2.864 -3.145 678 2HD LYS 78 1HD LYS 78 -2.258 2.217 -2.703 679 1HE LYS 78 2HE LYS 78 -2.109 3.097 -0.480 680 2HE LYS 78 1HE LYS 78 -0.380 3.455 -0.668 681 1HZ LYS 78 1HZ LYS 78 -0.966 4.943 -2.518 682 2HZ LYS 78 2HZ LYS 78 -1.645 5.454 -1.047 683 3HZ LYS 78 3HZ LYS 78 -2.612 4.674 -2.207 684 H ALA 79 H ALA 79 -3.189 -1.998 -0.779 685 HA ALA 79 HA ALA 79 -2.306 -3.075 -3.441 686 1HB ALA 79 1HB ALA 79 -3.097 -5.112 -2.812 687 2HB ALA 79 2HB ALA 79 -4.453 -4.404 -1.924 688 3HB ALA 79 3HB ALA 79 -2.850 -4.468 -1.185 689 H ILE 80 H ILE 80 -3.509 -2.383 -5.132 690 HA ILE 80 HA ILE 80 -6.204 -1.221 -4.601 691 HB ILE 80 HB ILE 80 -4.163 -1.055 -6.822 692 1HG1 ILE 80 2HG1 ILE 80 -4.262 1.327 -6.292 693 2HG1 ILE 80 1HG1 ILE 80 -5.543 1.045 -5.121 694 1HG2 ILE 80 1HG2 ILE 80 -6.433 -1.291 -7.815 695 2HG2 ILE 80 2HG2 ILE 80 -5.755 0.316 -8.082 696 3HG2 ILE 80 3HG2 ILE 80 -6.980 0.072 -6.837 697 1HD1 ILE 80 1HD1 ILE 80 -2.975 -0.468 -4.835 698 2HD1 ILE 80 2HD1 ILE 80 -4.108 0.061 -3.591 699 3HD1 ILE 80 3HD1 ILE 80 -3.016 1.225 -4.342 700 H VAL 81 H VAL 81 -7.777 -2.768 -4.781 701 HA VAL 81 HA VAL 81 -7.423 -4.993 -6.736 702 HB VAL 81 HB VAL 81 -9.714 -4.746 -4.810 703 1HG1 VAL 81 1HG1 VAL 81 -8.154 -7.227 -5.013 704 2HG1 VAL 81 2HG1 VAL 81 -8.838 -6.692 -6.548 705 3HG1 VAL 81 3HG1 VAL 81 -9.893 -6.974 -5.164 706 1HG2 VAL 81 1HG2 VAL 81 -8.171 -4.306 -3.156 707 2HG2 VAL 81 2HG2 VAL 81 -6.825 -4.939 -4.106 708 3HG2 VAL 81 3HG2 VAL 81 -7.912 -6.047 -3.270 709 H GLN 82 H GLN 82 -8.921 -5.333 -8.428 710 HA GLN 82 HA GLN 82 -10.982 -3.182 -8.797 711 1HB GLN 82 2HB GLN 82 -9.028 -2.976 -10.289 712 2HB GLN 82 1HB GLN 82 -9.265 -4.628 -10.838 713 1HG GLN 82 2HG GLN 82 -10.235 -2.871 -12.376 714 2HG GLN 82 1HG GLN 82 -11.397 -4.073 -11.815 715 1HE2 GLN 82 1HE2 GLN 82 -13.175 -2.509 -12.098 716 2HE2 GLN 82 2HE2 GLN 82 -13.392 -1.237 -10.995 717 H VAL 83 H VAL 83 -12.981 -3.920 -9.652 718 HA VAL 83 HA VAL 83 -13.162 -6.878 -9.920 719 HB VAL 83 HB VAL 83 -15.184 -6.861 -8.679 720 1HG1 VAL 83 1HG1 VAL 83 -14.515 -5.993 -6.577 721 2HG1 VAL 83 2HG1 VAL 83 -13.613 -4.670 -7.318 722 3HG1 VAL 83 3HG1 VAL 83 -12.998 -6.319 -7.417 723 1HG2 VAL 83 1HG2 VAL 83 -16.254 -4.967 -9.790 724 2HG2 VAL 83 2HG2 VAL 83 -15.133 -3.845 -9.012 725 3HG2 VAL 83 3HG2 VAL 83 -16.313 -4.731 -8.042 726 H ALA 84 H ALA 84 -14.822 -7.612 -11.360 727 HA ALA 84 HA ALA 84 -14.922 -6.553 -13.901 728 1HB ALA 84 1HB ALA 84 -17.438 -7.737 -12.878 729 2HB ALA 84 2HB ALA 84 -15.970 -8.664 -12.562 730 3HB ALA 84 3HB ALA 84 -16.414 -8.249 -14.222 731 HA PRO 85 HA PRO 85 -17.647 -3.129 -13.995 732 1HB PRO 85 2HB PRO 85 -19.150 -3.609 -16.231 733 2HB PRO 85 1HB PRO 85 -17.441 -3.165 -16.299 734 1HG PRO 85 2HG PRO 85 -18.706 -5.789 -16.644 735 2HG PRO 85 1HG PRO 85 -17.271 -5.124 -17.420 736 1HD PRO 85 2HD PRO 85 -17.238 -6.952 -15.345 737 2HD PRO 85 1HD PRO 85 -15.890 -5.885 -15.782 738 H GLY 86 H GLY 86 -18.611 -4.788 -12.068 739 1HA GLY 86 2HA GLY 86 -21.456 -4.274 -12.117 740 2HA GLY 86 1HA GLY 86 -21.118 -5.994 -12.320 741 H GLN 87 H GLN 87 -19.009 -6.452 -10.675 742 HA GLN 87 HA GLN 87 -20.082 -6.754 -8.108 743 1HB GLN 87 2HB GLN 87 -17.266 -6.450 -9.164 744 2HB GLN 87 1HB GLN 87 -17.591 -6.876 -7.484 745 1HG GLN 87 2HG GLN 87 -17.689 -9.013 -8.199 746 2HG GLN 87 1HG GLN 87 -19.247 -8.582 -8.902 747 1HE2 GLN 87 1HE2 GLN 87 -19.084 -9.822 -10.848 748 2HE2 GLN 87 2HE2 GLN 87 -17.900 -9.531 -12.029 749 H LYS 88 H LYS 88 -18.876 -5.650 -6.101 750 HA LYS 88 HA LYS 88 -18.055 -2.907 -6.289 751 1HB LYS 88 2HB LYS 88 -20.733 -3.317 -6.864 752 2HB LYS 88 1HB LYS 88 -20.765 -2.859 -5.161 753 1HG LYS 88 2HG LYS 88 -19.499 -1.307 -7.433 754 2HG LYS 88 1HG LYS 88 -20.914 -0.839 -6.489 755 1HD LYS 88 2HD LYS 88 -19.649 -0.024 -4.804 756 2HD LYS 88 1HD LYS 88 -18.593 -1.436 -4.808 757 1HE LYS 88 2HE LYS 88 -17.386 0.681 -5.425 758 2HE LYS 88 1HE LYS 88 -17.347 -0.523 -6.729 759 1HZ LYS 88 1HZ LYS 88 -18.184 1.943 -7.138 760 2HZ LYS 88 2HZ LYS 88 -19.653 1.265 -6.619 761 3HZ LYS 88 3HZ LYS 88 -18.846 0.621 -7.968 762 H ILE 89 H ILE 89 -16.630 -3.519 -4.567 763 HA ILE 89 HA ILE 89 -17.475 -4.840 -2.158 764 HB ILE 89 HB ILE 89 -15.159 -3.056 -2.942 765 1HG1 ILE 89 2HG1 ILE 89 -15.533 -6.023 -2.447 766 2HG1 ILE 89 1HG1 ILE 89 -15.069 -5.238 -3.956 767 1HG2 ILE 89 1HG2 ILE 89 -16.065 -3.614 -0.292 768 2HG2 ILE 89 2HG2 ILE 89 -14.581 -2.799 -0.783 769 3HG2 ILE 89 3HG2 ILE 89 -14.596 -4.549 -0.565 770 1HD1 ILE 89 1HD1 ILE 89 -12.927 -5.598 -3.348 771 2HD1 ILE 89 2HD1 ILE 89 -13.397 -6.045 -1.708 772 3HD1 ILE 89 3HD1 ILE 89 -13.163 -4.349 -2.127 773 H GLU 90 H GLU 90 -19.524 -3.531 -1.867 774 HA GLU 90 HA GLU 90 -19.686 -0.781 -1.323 775 1HB GLU 90 2HB GLU 90 -21.743 -1.386 -0.188 776 2HB GLU 90 1HB GLU 90 -21.524 -2.485 -1.551 777 1HG GLU 90 2HG GLU 90 -20.482 -4.138 0.013 778 2HG GLU 90 1HG GLU 90 -20.872 -3.059 1.353 779 H ALA 91 H ALA 91 -18.041 -3.178 0.547 780 HA ALA 91 HA ALA 91 -18.330 -2.262 3.194 781 1HB ALA 91 1HB ALA 91 -17.127 -4.273 2.647 782 2HB ALA 91 2HB ALA 91 -15.961 -3.181 3.394 783 3HB ALA 91 3HB ALA 91 -15.982 -3.384 1.643 784 H LEU 92 H LEU 92 -16.725 -0.734 0.495 785 HA LEU 92 HA LEU 92 -15.444 1.259 2.331 786 1HB LEU 92 2HB LEU 92 -14.949 1.360 -0.593 787 2HB LEU 92 1HB LEU 92 -13.799 1.449 0.737 788 HG LEU 92 HG LEU 92 -15.097 -1.049 -0.375 789 1HD1 LEU 92 1HD1 LEU 92 -13.281 -0.417 -1.773 790 2HD1 LEU 92 2HD1 LEU 92 -12.599 -1.616 -0.674 791 3HD1 LEU 92 3HD1 LEU 92 -12.301 0.100 -0.401 792 1HD2 LEU 92 1HD2 LEU 92 -14.616 -2.100 1.563 793 2HD2 LEU 92 2HD2 LEU 92 -14.267 -0.521 2.268 794 3HD2 LEU 92 3HD2 LEU 92 -12.968 -1.472 1.545 795 H GLU 93 H GLU 93 -17.918 0.805 -0.074 796 HA GLU 93 HA GLU 93 -18.279 3.477 -0.973 797 1HB GLU 93 2HB GLU 93 -20.158 1.136 -0.562 798 2HB GLU 93 1HB GLU 93 -20.621 2.604 -1.423 799 1HG GLU 93 2HG GLU 93 -18.080 1.257 -2.235 800 2HG GLU 93 1HG GLU 93 -19.602 0.507 -2.717 801 H GLY 94 H GLY 94 -19.974 1.737 1.671 802 1HA GLY 94 2HA GLY 94 -21.110 4.291 2.622 803 2HA GLY 94 1HA GLY 94 -21.483 2.691 3.263 804 H LEU 95 H LEU 95 -18.168 2.925 2.940 805 HA LEU 95 HA LEU 95 -17.763 3.039 5.819 806 1HB LEU 95 2HB LEU 95 -16.427 1.655 4.276 807 2HB LEU 95 1HB LEU 95 -15.854 3.110 3.459 808 HG LEU 95 HG LEU 95 -14.676 3.850 5.412 809 1HD1 LEU 95 1HD1 LEU 95 -15.964 3.441 7.284 810 2HD1 LEU 95 2HD1 LEU 95 -14.818 2.107 7.436 811 3HD1 LEU 95 3HD1 LEU 95 -16.417 1.822 6.747 812 1HD2 LEU 95 1HD2 LEU 95 -13.557 1.417 6.008 813 2HD2 LEU 95 2HD2 LEU 95 -13.135 2.384 4.594 814 3HD2 LEU 95 3HD2 LEU 95 -14.315 1.080 4.452 815 H ILE 96 H ILE 96 -17.893 5.393 3.292 816 HA ILE 96 HA ILE 96 -16.104 7.392 4.172 817 HB ILE 96 HB ILE 96 -18.815 7.411 2.835 818 1HG1 ILE 96 2HG1 ILE 96 -16.080 8.123 1.749 819 2HG1 ILE 96 1HG1 ILE 96 -16.717 6.478 1.714 820 1HG2 ILE 96 1HG2 ILE 96 -17.371 9.641 4.018 821 2HG2 ILE 96 2HG2 ILE 96 -18.970 9.619 3.275 822 3HG2 ILE 96 3HG2 ILE 96 -17.535 9.842 2.274 823 1HD1 ILE 96 1HD1 ILE 96 -17.178 8.471 -0.193 824 2HD1 ILE 96 2HD1 ILE 96 -18.675 8.396 0.737 825 3HD1 ILE 96 3HD1 ILE 96 -18.049 6.944 -0.045 Start of MODEL 17 1 1H MET 1 1HT MET 1 -0.600 -11.755 12.732 2 2H MET 1 2HT MET 1 -0.877 -13.370 12.280 3 3H MET 1 3HT MET 1 -2.166 -12.263 12.325 4 HA MET 1 HA MET 1 0.067 -11.565 10.570 5 1HB MET 1 2HB MET 1 -1.015 -13.144 8.859 6 2HB MET 1 1HB MET 1 -0.064 -13.927 10.129 7 1HG MET 1 2HG MET 1 -2.709 -13.598 11.126 8 2HG MET 1 1HG MET 1 -2.846 -14.260 9.496 9 1HE MET 1 1HE MET 1 -3.170 -17.592 10.519 10 2HE MET 1 2HE MET 1 -3.903 -16.048 10.091 11 3HE MET 1 3HE MET 1 -3.808 -16.532 11.782 12 H LYS 2 H LYS 2 -0.729 -10.078 9.048 13 HA LYS 2 HA LYS 2 -3.039 -8.556 9.411 14 1HB LYS 2 2HB LYS 2 -2.021 -9.446 6.689 15 2HB LYS 2 1HB LYS 2 -2.746 -7.899 7.097 16 1HG LYS 2 2HG LYS 2 -0.001 -8.917 7.846 17 2HG LYS 2 1HG LYS 2 -0.421 -7.445 6.974 18 1HD LYS 2 2HD LYS 2 -0.264 -6.389 8.964 19 2HD LYS 2 1HD LYS 2 -1.792 -7.169 9.371 20 1HE LYS 2 2HE LYS 2 -0.793 -8.629 10.817 21 2HE LYS 2 1HE LYS 2 0.600 -8.876 9.745 22 1HZ LYS 2 1HZ LYS 2 1.084 -7.583 11.827 23 2HZ LYS 2 2HZ LYS 2 0.106 -6.340 11.205 24 3HZ LYS 2 3HZ LYS 2 1.519 -6.807 10.382 25 H THR 3 H THR 3 -4.854 -9.773 9.965 26 HA THR 3 HA THR 3 -6.302 -11.792 9.734 27 HB THR 3 HB THR 3 -6.876 -9.302 8.168 28 HG1 THR 3 1HG THR 3 -7.040 -9.613 10.527 29 1HG2 THR 3 1HG2 THR 3 -8.537 -11.817 8.175 30 2HG2 THR 3 2HG2 THR 3 -8.042 -10.834 6.798 31 3HG2 THR 3 3HG2 THR 3 -9.259 -10.228 7.922 32 H ALA 4 H ALA 4 -6.095 -10.428 6.457 33 HA ALA 4 HA ALA 4 -6.482 -12.844 5.003 34 1HB ALA 4 1HB ALA 4 -6.646 -10.926 3.736 35 2HB ALA 4 2HB ALA 4 -4.959 -11.316 3.405 36 3HB ALA 4 3HB ALA 4 -5.357 -10.121 4.632 37 H TYR 5 H TYR 5 -5.041 -14.276 6.408 38 HA TYR 5 HA TYR 5 -2.895 -15.077 7.128 39 1HB TYR 5 2HB TYR 5 -1.849 -16.108 5.015 40 2HB TYR 5 1HB TYR 5 -3.500 -16.565 5.400 41 HD1 TYR 5 1HD TYR 5 -1.377 -15.570 2.822 42 HD2 TYR 5 2HD TYR 5 -5.339 -14.880 4.329 43 HE1 TYR 5 1HE TYR 5 -2.107 -14.842 0.568 44 HE2 TYR 5 2HE TYR 5 -6.063 -14.135 2.081 45 HH TYR 5 HH TYR 5 -3.758 -13.948 -0.627 46 H ASP 6 H ASP 6 -2.648 -12.411 7.281 47 HA ASP 6 HA ASP 6 -1.037 -10.737 7.395 48 1HB ASP 6 2HB ASP 6 0.447 -12.322 8.199 49 2HB ASP 6 1HB ASP 6 0.550 -13.160 6.652 50 H VAL 7 H VAL 7 -2.630 -10.433 5.285 51 HA VAL 7 HA VAL 7 -0.772 -9.468 3.152 52 HB VAL 7 HB VAL 7 -3.455 -10.740 2.613 53 1HG1 VAL 7 1HG1 VAL 7 -1.112 -10.669 0.761 54 2HG1 VAL 7 2HG1 VAL 7 -2.043 -9.191 1.021 55 3HG1 VAL 7 3HG1 VAL 7 -2.835 -10.637 0.387 56 1HG2 VAL 7 1HG2 VAL 7 -1.558 -12.227 3.760 57 2HG2 VAL 7 2HG2 VAL 7 -0.946 -12.262 2.109 58 3HG2 VAL 7 3HG2 VAL 7 -2.574 -12.841 2.462 59 H ILE 8 H ILE 8 -3.835 -9.089 2.034 60 HA ILE 8 HA ILE 8 -3.988 -6.278 2.407 61 HB ILE 8 HB ILE 8 -6.199 -8.299 1.872 62 1HG1 ILE 8 2HG1 ILE 8 -4.843 -7.002 -0.406 63 2HG1 ILE 8 1HG1 ILE 8 -3.833 -8.144 0.479 64 1HG2 ILE 8 1HG2 ILE 8 -6.021 -5.703 0.441 65 2HG2 ILE 8 2HG2 ILE 8 -6.397 -5.591 2.163 66 3HG2 ILE 8 3HG2 ILE 8 -7.437 -6.531 1.092 67 1HD1 ILE 8 1HD1 ILE 8 -4.926 -9.865 -0.470 68 2HD1 ILE 8 2HD1 ILE 8 -5.911 -8.723 -1.383 69 3HD1 ILE 8 3HD1 ILE 8 -6.447 -9.279 0.201 70 H LEU 9 H LEU 9 -5.385 -5.053 3.814 71 HA LEU 9 HA LEU 9 -6.558 -6.576 6.111 72 1HB LEU 9 2HB LEU 9 -4.658 -4.229 6.058 73 2HB LEU 9 1HB LEU 9 -5.659 -4.562 7.471 74 HG LEU 9 HG LEU 9 -4.061 -6.792 6.261 75 1HD1 LEU 9 1HD1 LEU 9 -2.560 -4.766 6.581 76 2HD1 LEU 9 2HD1 LEU 9 -2.103 -6.189 7.517 77 3HD1 LEU 9 3HD1 LEU 9 -2.943 -4.852 8.300 78 1HD2 LEU 9 1HD2 LEU 9 -3.937 -6.946 9.000 79 2HD2 LEU 9 2HD2 LEU 9 -5.174 -7.726 8.014 80 3HD2 LEU 9 3HD2 LEU 9 -5.497 -6.160 8.760 81 H ALA 10 H ALA 10 -6.448 -3.119 6.224 82 HA ALA 10 HA ALA 10 -9.374 -3.036 5.603 83 1HB ALA 10 1HB ALA 10 -9.456 -1.930 7.567 84 2HB ALA 10 2HB ALA 10 -8.387 -0.689 6.913 85 3HB ALA 10 3HB ALA 10 -7.708 -2.097 7.727 86 HA PRO 11 HA PRO 11 -8.550 -0.402 2.179 87 1HB PRO 11 2HB PRO 11 -10.858 1.068 2.135 88 2HB PRO 11 1HB PRO 11 -10.791 -0.633 1.636 89 1HG PRO 11 2HG PRO 11 -11.747 0.553 4.188 90 2HG PRO 11 1HG PRO 11 -12.381 -0.825 3.275 91 1HD PRO 11 2HD PRO 11 -10.824 -1.060 5.517 92 2HD PRO 11 1HD PRO 11 -10.931 -2.297 4.246 93 H VAL 12 H VAL 12 -8.005 1.847 1.695 94 HA VAL 12 HA VAL 12 -7.480 3.454 4.151 95 HB VAL 12 HB VAL 12 -5.753 4.454 2.856 96 1HG1 VAL 12 1HG1 VAL 12 -5.568 1.875 1.439 97 2HG1 VAL 12 2HG1 VAL 12 -5.868 1.729 3.171 98 3HG1 VAL 12 3HG1 VAL 12 -4.453 2.607 2.591 99 1HG2 VAL 12 1HG2 VAL 12 -7.054 3.255 0.391 100 2HG2 VAL 12 2HG2 VAL 12 -5.631 4.296 0.419 101 3HG2 VAL 12 3HG2 VAL 12 -7.207 4.941 0.884 102 H LEU 13 H LEU 13 -8.363 5.516 4.405 103 HA LEU 13 HA LEU 13 -10.457 6.296 2.427 104 1HB LEU 13 2HB LEU 13 -9.899 6.920 5.336 105 2HB LEU 13 1HB LEU 13 -11.136 7.767 4.408 106 HG LEU 13 HG LEU 13 -12.243 5.952 5.524 107 1HD1 LEU 13 1HD1 LEU 13 -13.226 4.845 3.684 108 2HD1 LEU 13 2HD1 LEU 13 -11.718 4.843 2.769 109 3HD1 LEU 13 3HD1 LEU 13 -12.615 6.346 2.986 110 1HD2 LEU 13 1HD2 LEU 13 -10.649 3.799 4.271 111 2HD2 LEU 13 2HD2 LEU 13 -11.307 3.905 5.903 112 3HD2 LEU 13 3HD2 LEU 13 -9.797 4.726 5.507 113 H SER 14 H SER 14 -9.625 7.692 0.919 114 HA SER 14 HA SER 14 -8.463 10.233 1.812 115 1HB SER 14 2HB SER 14 -6.710 8.793 -0.094 116 2HB SER 14 1HB SER 14 -6.277 9.815 1.273 117 HG SER 14 HG SER 14 -5.821 7.512 1.509 118 H GLU 15 H GLU 15 -8.770 11.813 0.214 119 HA GLU 15 HA GLU 15 -10.671 11.618 -1.775 120 1HB GLU 15 2HB GLU 15 -8.109 13.210 -1.569 121 2HB GLU 15 1HB GLU 15 -9.267 13.489 -2.870 122 1HG GLU 15 2HG GLU 15 -10.680 13.344 -0.370 123 2HG GLU 15 1HG GLU 15 -9.364 14.509 -0.223 124 H LYS 16 H LYS 16 -7.165 11.025 -2.226 125 HA LYS 16 HA LYS 16 -7.166 10.422 -4.968 126 1HB LYS 16 2HB LYS 16 -5.572 9.516 -2.576 127 2HB LYS 16 1HB LYS 16 -5.188 8.910 -4.189 128 1HG LYS 16 2HG LYS 16 -5.049 11.299 -4.974 129 2HG LYS 16 1HG LYS 16 -5.224 11.804 -3.292 130 1HD LYS 16 2HD LYS 16 -3.218 10.375 -2.741 131 2HD LYS 16 1HD LYS 16 -2.995 10.128 -4.473 132 1HE LYS 16 2HE LYS 16 -3.107 12.765 -4.575 133 2HE LYS 16 1HE LYS 16 -2.647 12.644 -2.865 134 1HZ LYS 16 1HZ LYS 16 -0.822 12.593 -4.715 135 2HZ LYS 16 2HZ LYS 16 -1.266 10.958 -4.834 136 3HZ LYS 16 3HZ LYS 16 -0.695 11.582 -3.360 137 H ALA 17 H ALA 17 -7.624 8.181 -2.211 138 HA ALA 17 HA ALA 17 -8.064 5.831 -3.805 139 1HB ALA 17 1HB ALA 17 -9.439 5.494 -1.420 140 2HB ALA 17 2HB ALA 17 -8.248 6.734 -1.019 141 3HB ALA 17 3HB ALA 17 -7.720 5.176 -1.656 142 H TYR 18 H TYR 18 -10.472 7.702 -1.919 143 HA TYR 18 HA TYR 18 -12.816 6.579 -2.880 144 1HB TYR 18 2HB TYR 18 -11.925 9.224 -1.873 145 2HB TYR 18 1HB TYR 18 -13.490 9.206 -2.688 146 HD1 TYR 18 1HD TYR 18 -12.420 9.333 0.436 147 HD2 TYR 18 2HD TYR 18 -14.499 6.527 -2.062 148 HE1 TYR 18 1HE TYR 18 -13.460 8.316 2.446 149 HE2 TYR 18 2HE TYR 18 -15.539 5.506 -0.053 150 HH TYR 18 HH TYR 18 -15.582 5.469 2.172 151 H ALA 19 H ALA 19 -10.690 8.846 -4.559 152 HA ALA 19 HA ALA 19 -12.586 9.142 -6.809 153 1HB ALA 19 1HB ALA 19 -11.172 10.898 -7.439 154 2HB ALA 19 2HB ALA 19 -9.742 10.116 -6.763 155 3HB ALA 19 3HB ALA 19 -10.925 10.869 -5.693 156 H GLY 20 H GLY 20 -10.184 6.965 -5.844 157 1HA GLY 20 2HA GLY 20 -9.592 6.162 -8.664 158 2HA GLY 20 1HA GLY 20 -8.561 5.778 -7.283 159 H PHE 21 H PHE 21 -10.664 5.053 -5.494 160 HA PHE 21 HA PHE 21 -11.069 2.295 -6.296 161 1HB PHE 21 2HB PHE 21 -11.266 2.149 -4.039 162 2HB PHE 21 1HB PHE 21 -11.030 3.887 -3.964 163 HD1 PHE 21 1HD PHE 21 -13.308 1.183 -3.381 164 HD2 PHE 21 2HD PHE 21 -13.116 5.381 -4.256 165 HE1 PHE 21 1HE PHE 21 -15.630 1.460 -2.560 166 HE2 PHE 21 2HE PHE 21 -15.435 5.662 -3.431 167 HZ PHE 21 HZ PHE 21 -16.696 3.700 -2.585 168 H ALA 22 H ALA 22 -12.805 5.245 -6.649 169 HA ALA 22 HA ALA 22 -15.482 4.454 -6.747 170 1HB ALA 22 1HB ALA 22 -15.765 6.542 -7.716 171 2HB ALA 22 2HB ALA 22 -14.362 6.348 -8.769 172 3HB ALA 22 3HB ALA 22 -14.137 6.720 -7.058 173 H GLU 23 H GLU 23 -12.885 3.711 -8.927 174 HA GLU 23 HA GLU 23 -14.696 2.906 -11.130 175 1HB GLU 23 2HB GLU 23 -12.188 3.993 -10.976 176 2HB GLU 23 1HB GLU 23 -11.805 2.288 -11.207 177 1HG GLU 23 2HG GLU 23 -13.903 3.559 -12.935 178 2HG GLU 23 1HG GLU 23 -12.201 3.840 -13.303 179 H GLY 24 H GLY 24 -14.259 1.500 -8.332 180 1HA GLY 24 2HA GLY 24 -14.800 -0.780 -7.850 181 2HA GLY 24 1HA GLY 24 -14.254 -1.203 -9.465 182 H LYS 25 H LYS 25 -12.018 0.898 -8.229 183 HA LYS 25 HA LYS 25 -10.063 -1.245 -7.782 184 1HB LYS 25 2HB LYS 25 -10.030 1.792 -7.722 185 2HB LYS 25 1HB LYS 25 -8.585 0.819 -7.467 186 1HG LYS 25 2HG LYS 25 -8.574 0.027 -9.665 187 2HG LYS 25 1HG LYS 25 -10.296 0.336 -9.887 188 1HD LYS 25 2HD LYS 25 -9.980 2.571 -10.347 189 2HD LYS 25 1HD LYS 25 -8.546 2.685 -9.327 190 1HE LYS 25 2HE LYS 25 -8.490 1.046 -11.864 191 2HE LYS 25 1HE LYS 25 -8.182 2.793 -11.897 192 1HZ LYS 25 1HZ LYS 25 -6.717 2.145 -9.816 193 2HZ LYS 25 2HZ LYS 25 -6.097 2.079 -11.397 194 3HZ LYS 25 3HZ LYS 25 -6.632 0.660 -10.632 195 H TYR 26 H TYR 26 -9.185 -1.799 -5.724 196 HA TYR 26 HA TYR 26 -10.353 -0.334 -3.386 197 1HB TYR 26 2HB TYR 26 -9.919 -3.305 -3.792 198 2HB TYR 26 1HB TYR 26 -10.479 -2.572 -2.289 199 HD1 TYR 26 1HD TYR 26 -12.157 -0.351 -3.643 200 HD2 TYR 26 2HD TYR 26 -11.909 -4.598 -4.245 201 HE1 TYR 26 1HE TYR 26 -14.478 -0.363 -4.509 202 HE2 TYR 26 2HE TYR 26 -14.232 -4.606 -5.107 203 HH TYR 26 HH TYR 26 -15.785 -2.120 -6.233 204 H THR 27 H THR 27 -8.599 0.803 -2.685 205 HA THR 27 HA THR 27 -5.890 -0.237 -2.650 206 HB THR 27 HB THR 27 -6.989 2.125 -1.126 207 HG1 THR 27 1HG THR 27 -6.347 3.121 -3.311 208 1HG2 THR 27 1HG2 THR 27 -4.687 2.939 -2.250 209 2HG2 THR 27 2HG2 THR 27 -4.362 1.208 -2.173 210 3HG2 THR 27 3HG2 THR 27 -4.737 2.100 -0.700 211 H PHE 28 H PHE 28 -5.068 -1.504 -1.072 212 HA PHE 28 HA PHE 28 -6.461 -1.547 1.586 213 1HB PHE 28 2HB PHE 28 -5.268 -3.725 -0.139 214 2HB PHE 28 1HB PHE 28 -5.725 -3.977 1.538 215 HD1 PHE 28 1HD PHE 28 -6.831 -5.108 -1.246 216 HD2 PHE 28 2HD PHE 28 -8.183 -2.205 1.617 217 HE1 PHE 28 1HE PHE 28 -9.180 -5.495 -1.958 218 HE2 PHE 28 2HE PHE 28 -10.528 -2.594 0.909 219 HZ PHE 28 HZ PHE 28 -11.026 -4.239 -0.877 220 H TRP 29 H TRP 29 -5.011 -2.308 3.362 221 HA TRP 29 HA TRP 29 -2.239 -1.272 3.008 222 1HB TRP 29 2HB TRP 29 -4.134 -1.786 5.306 223 2HB TRP 29 1HB TRP 29 -2.405 -1.625 5.611 224 HD1 TRP 29 HD TRP 29 -5.299 0.422 5.731 225 HE1 TRP 29 1HE TRP 29 -4.784 2.908 5.279 226 HE3 TRP 29 3HE TRP 29 -0.650 -0.001 3.655 227 HZ2 TRP 29 2HZ TRP 29 -2.680 4.504 4.183 228 HZ3 TRP 29 3HZ TRP 29 0.585 2.017 2.917 229 HH2 TRP 29 HH TRP 29 -0.424 4.267 3.178 230 H VAL 30 H VAL 30 -0.713 -2.869 2.635 231 HA VAL 30 HA VAL 30 -1.156 -5.525 3.881 232 HB VAL 30 HB VAL 30 -2.214 -5.445 1.688 233 1HG1 VAL 30 1HG1 VAL 30 -1.261 -3.970 0.241 234 2HG1 VAL 30 2HG1 VAL 30 -0.210 -5.324 -0.178 235 3HG1 VAL 30 3HG1 VAL 30 0.325 -4.123 0.997 236 1HG2 VAL 30 1HG2 VAL 30 -1.386 -7.439 0.934 237 2HG2 VAL 30 2HG2 VAL 30 -0.757 -7.403 2.582 238 3HG2 VAL 30 3HG2 VAL 30 0.289 -6.972 1.230 239 H HIS 31 H HIS 31 0.759 -6.918 3.612 240 HA HIS 31 HA HIS 31 3.187 -5.556 4.383 241 1HB HIS 31 2HB HIS 31 2.065 -8.167 4.346 242 2HB HIS 31 1HB HIS 31 3.610 -8.263 3.501 243 HD1 HIS 31 1HD HIS 31 2.770 -5.978 6.417 244 HD2 HIS 31 2HD HIS 31 5.234 -9.227 5.554 245 HE1 HIS 31 1HE HIS 31 4.265 -6.299 8.435 246 HA PRO 32 HA PRO 32 5.010 -4.874 0.436 247 1HB PRO 32 2HB PRO 32 7.645 -4.891 1.157 248 2HB PRO 32 1HB PRO 32 6.546 -3.560 1.554 249 1HG PRO 32 2HG PRO 32 7.513 -5.779 3.274 250 2HG PRO 32 1HG PRO 32 7.227 -4.080 3.679 251 1HD PRO 32 2HD PRO 32 5.503 -6.111 4.307 252 2HD PRO 32 1HD PRO 32 5.005 -4.420 4.084 253 H LYS 33 H LYS 33 4.195 -7.273 0.083 254 HA LYS 33 HA LYS 33 6.274 -8.775 -1.204 255 1HB LYS 33 2HB LYS 33 6.146 -10.686 0.557 256 2HB LYS 33 1HB LYS 33 7.121 -9.272 0.956 257 1HG LYS 33 2HG LYS 33 5.852 -8.915 2.780 258 2HG LYS 33 1HG LYS 33 4.433 -8.723 1.759 259 1HD LYS 33 2HD LYS 33 3.930 -10.518 3.260 260 2HD LYS 33 1HD LYS 33 4.279 -11.265 1.701 261 1HE LYS 33 2HE LYS 33 6.765 -11.318 2.661 262 2HE LYS 33 1HE LYS 33 5.907 -11.294 4.215 263 1HZ LYS 33 1HZ LYS 33 4.984 -13.059 2.044 264 2HZ LYS 33 2HZ LYS 33 4.758 -13.217 3.721 265 3HZ LYS 33 3HZ LYS 33 6.274 -13.549 3.030 266 H ALA 34 H ALA 34 3.135 -8.799 0.416 267 HA ALA 34 HA ALA 34 1.893 -11.099 -0.424 268 1HB ALA 34 1HB ALA 34 0.922 -8.228 -0.481 269 2HB ALA 34 2HB ALA 34 0.780 -9.374 0.852 270 3HB ALA 34 3HB ALA 34 -0.154 -9.618 -0.624 271 H THR 35 H THR 35 2.471 -11.985 -2.438 272 HA THR 35 HA THR 35 2.908 -10.646 -4.875 273 HB THR 35 HB THR 35 1.863 -12.999 -5.681 274 HG1 THR 35 1HG THR 35 2.706 -13.714 -3.128 275 1HG2 THR 35 1HG2 THR 35 4.297 -12.128 -5.582 276 2HG2 THR 35 2HG2 THR 35 4.050 -13.875 -5.547 277 3HG2 THR 35 3HG2 THR 35 4.400 -13.005 -4.054 278 H LYS 36 H LYS 36 1.543 -9.723 -6.386 279 HA LYS 36 HA LYS 36 -0.994 -8.764 -5.897 280 1HB LYS 36 2HB LYS 36 0.087 -9.879 -8.507 281 2HB LYS 36 1HB LYS 36 -1.215 -8.698 -8.363 282 1HG LYS 36 2HG LYS 36 0.753 -7.538 -6.841 283 2HG LYS 36 1HG LYS 36 1.697 -8.320 -8.108 284 1HD LYS 36 2HD LYS 36 0.779 -7.026 -9.787 285 2HD LYS 36 1HD LYS 36 -0.743 -6.800 -8.925 286 1HE LYS 36 2HE LYS 36 0.053 -4.733 -8.388 287 2HE LYS 36 1HE LYS 36 1.144 -5.571 -7.269 288 1HZ LYS 36 1HZ LYS 36 2.856 -5.551 -8.759 289 2HZ LYS 36 2HZ LYS 36 2.093 -4.100 -9.206 290 3HZ LYS 36 3HZ LYS 36 1.839 -5.512 -10.115 291 H THR 37 H THR 37 -0.265 -11.945 -7.380 292 HA THR 37 HA THR 37 -2.946 -12.823 -7.728 293 HB THR 37 HB THR 37 -0.738 -14.650 -6.958 294 HG1 THR 37 1HG THR 37 -0.866 -13.470 -9.501 295 1HG2 THR 37 1HG2 THR 37 -2.818 -14.645 -9.146 296 2HG2 THR 37 2HG2 THR 37 -2.865 -15.603 -7.667 297 3HG2 THR 37 3HG2 THR 37 -1.633 -15.925 -8.888 298 H GLU 38 H GLU 38 -0.692 -13.560 -5.043 299 HA GLU 38 HA GLU 38 -2.489 -15.015 -3.417 300 1HB GLU 38 2HB GLU 38 -0.034 -13.344 -3.035 301 2HB GLU 38 1HB GLU 38 -0.914 -13.859 -1.595 302 1HG GLU 38 2HG GLU 38 -0.866 -16.221 -2.636 303 2HG GLU 38 1HG GLU 38 0.377 -15.579 -3.712 304 H ILE 39 H ILE 39 -1.898 -11.500 -3.575 305 HA ILE 39 HA ILE 39 -3.579 -10.673 -1.447 306 HB ILE 39 HB ILE 39 -2.654 -9.511 -4.073 307 1HG1 ILE 39 2HG1 ILE 39 -2.083 -8.913 -1.154 308 2HG1 ILE 39 1HG1 ILE 39 -1.011 -9.746 -2.279 309 1HG2 ILE 39 1HG2 ILE 39 -4.207 -7.977 -1.975 310 2HG2 ILE 39 2HG2 ILE 39 -4.933 -8.576 -3.465 311 3HG2 ILE 39 3HG2 ILE 39 -3.638 -7.382 -3.532 312 1HD1 ILE 39 1HD1 ILE 39 -0.819 -7.105 -1.800 313 2HD1 ILE 39 2HD1 ILE 39 -1.997 -7.065 -3.113 314 3HD1 ILE 39 3HD1 ILE 39 -0.420 -7.814 -3.365 315 H LYS 40 H LYS 40 -4.316 -11.661 -4.742 316 HA LYS 40 HA LYS 40 -6.981 -10.696 -4.989 317 1HB LYS 40 2HB LYS 40 -5.397 -11.727 -6.697 318 2HB LYS 40 1HB LYS 40 -5.835 -13.299 -6.032 319 1HG LYS 40 2HG LYS 40 -8.030 -13.164 -6.788 320 2HG LYS 40 1HG LYS 40 -8.005 -11.401 -6.860 321 1HD LYS 40 2HD LYS 40 -6.504 -11.466 -8.791 322 2HD LYS 40 1HD LYS 40 -6.424 -13.225 -8.697 323 1HE LYS 40 2HE LYS 40 -9.133 -12.844 -8.787 324 2HE LYS 40 1HE LYS 40 -8.558 -11.507 -9.805 325 1HZ LYS 40 1HZ LYS 40 -7.412 -12.942 -11.196 326 2HZ LYS 40 2HZ LYS 40 -8.834 -13.814 -10.878 327 3HZ LYS 40 3HZ LYS 40 -7.394 -14.206 -10.066 328 H ASN 41 H ASN 41 -5.763 -13.814 -3.759 329 HA ASN 41 HA ASN 41 -8.299 -15.009 -3.222 330 1HB ASN 41 2HB ASN 41 -5.488 -15.364 -2.176 331 2HB ASN 41 1HB ASN 41 -6.810 -16.416 -1.667 332 1HD2 ASN 41 1HD2 ASN 41 -4.863 -15.433 -4.484 333 2HD2 ASN 41 2HD2 ASN 41 -5.320 -16.740 -5.466 334 H ALA 42 H ALA 42 -6.101 -13.219 -0.992 335 HA ALA 42 HA ALA 42 -7.654 -13.563 1.357 336 1HB ALA 42 1HB ALA 42 -5.323 -12.241 0.564 337 2HB ALA 42 2HB ALA 42 -5.974 -12.304 2.203 338 3HB ALA 42 3HB ALA 42 -6.372 -10.948 1.145 339 H VAL 43 H VAL 43 -7.901 -11.030 -1.158 340 HA VAL 43 HA VAL 43 -10.003 -9.605 0.268 341 HB VAL 43 HB VAL 43 -8.239 -9.200 -1.897 342 1HG1 VAL 43 1HG1 VAL 43 -11.142 -9.084 -2.751 343 2HG1 VAL 43 2HG1 VAL 43 -9.827 -9.961 -3.534 344 3HG1 VAL 43 3HG1 VAL 43 -9.860 -8.198 -3.578 345 1HG2 VAL 43 1HG2 VAL 43 -10.257 -7.119 -1.524 346 2HG2 VAL 43 2HG2 VAL 43 -8.524 -7.073 -1.198 347 3HG2 VAL 43 3HG2 VAL 43 -9.629 -7.737 0.003 348 H GLU 44 H GLU 44 -9.952 -11.836 -2.533 349 HA GLU 44 HA GLU 44 -12.704 -11.766 -3.181 350 1HB GLU 44 2HB GLU 44 -10.358 -13.291 -3.759 351 2HB GLU 44 1HB GLU 44 -11.663 -14.428 -3.419 352 1HG GLU 44 2HG GLU 44 -12.216 -12.078 -5.200 353 2HG GLU 44 1HG GLU 44 -11.348 -13.465 -5.860 354 H THR 45 H THR 45 -10.988 -13.637 -0.692 355 HA THR 45 HA THR 45 -13.379 -15.106 0.139 356 HB THR 45 HB THR 45 -11.854 -15.997 1.809 357 HG1 THR 45 1HG THR 45 -9.788 -15.012 2.034 358 1HG2 THR 45 1HG2 THR 45 -11.087 -15.717 -0.999 359 2HG2 THR 45 2HG2 THR 45 -11.070 -17.149 0.031 360 3HG2 THR 45 3HG2 THR 45 -9.708 -16.030 0.054 361 H ALA 46 H ALA 46 -11.438 -12.415 1.453 362 HA ALA 46 HA ALA 46 -13.055 -11.991 3.798 363 1HB ALA 46 1HB ALA 46 -10.715 -11.251 3.499 364 2HB ALA 46 2HB ALA 46 -11.757 -9.883 3.890 365 3HB ALA 46 3HB ALA 46 -11.228 -10.143 2.228 366 H PHE 47 H PHE 47 -12.785 -9.892 0.889 367 HA PHE 47 HA PHE 47 -15.214 -8.447 1.516 368 1HB PHE 47 2HB PHE 47 -13.331 -8.690 -0.824 369 2HB PHE 47 1HB PHE 47 -14.790 -7.706 -0.945 370 HD1 PHE 47 1HD PHE 47 -11.436 -7.948 0.419 371 HD2 PHE 47 2HD PHE 47 -15.155 -5.818 0.685 372 HE1 PHE 47 1HE PHE 47 -10.297 -6.110 1.634 373 HE2 PHE 47 2HE PHE 47 -14.017 -3.981 1.900 374 HZ PHE 47 HZ PHE 47 -11.586 -4.126 2.374 375 H LYS 48 H LYS 48 -14.531 -11.395 -0.189 376 HA LYS 48 HA LYS 48 -15.968 -12.944 -1.227 377 1HB LYS 48 2HB LYS 48 -17.423 -11.507 0.799 378 2HB LYS 48 1HB LYS 48 -18.505 -11.853 -0.551 379 1HG LYS 48 2HG LYS 48 -16.770 -14.115 0.152 380 2HG LYS 48 1HG LYS 48 -17.855 -13.635 1.457 381 1HD LYS 48 2HD LYS 48 -19.789 -13.930 0.094 382 2HD LYS 48 1HD LYS 48 -18.823 -14.034 -1.379 383 1HE LYS 48 2HE LYS 48 -18.108 -16.215 -0.915 384 2HE LYS 48 1HE LYS 48 -18.383 -16.036 0.830 385 1HZ LYS 48 1HZ LYS 48 -20.663 -16.177 0.578 386 2HZ LYS 48 2HZ LYS 48 -20.122 -17.305 -0.572 387 3HZ LYS 48 3HZ LYS 48 -20.624 -15.759 -1.066 388 H VAL 49 H VAL 49 -15.059 -10.727 -2.754 389 HA VAL 49 HA VAL 49 -17.424 -10.206 -4.512 390 HB VAL 49 HB VAL 49 -15.833 -8.435 -3.152 391 1HG1 VAL 49 1HG1 VAL 49 -14.151 -7.515 -4.443 392 2HG1 VAL 49 2HG1 VAL 49 -14.858 -8.083 -5.955 393 3HG1 VAL 49 3HG1 VAL 49 -14.004 -9.211 -4.901 394 1HG2 VAL 49 1HG2 VAL 49 -17.979 -7.970 -4.201 395 2HG2 VAL 49 2HG2 VAL 49 -17.227 -8.018 -5.795 396 3HG2 VAL 49 3HG2 VAL 49 -16.798 -6.743 -4.655 397 H LYS 50 H LYS 50 -16.024 -9.306 -6.729 398 HA LYS 50 HA LYS 50 -14.487 -11.748 -7.556 399 1HB LYS 50 2HB LYS 50 -16.850 -10.958 -8.532 400 2HB LYS 50 1HB LYS 50 -15.816 -9.921 -9.518 401 1HG LYS 50 2HG LYS 50 -14.947 -12.746 -9.270 402 2HG LYS 50 1HG LYS 50 -16.424 -12.476 -10.198 403 1HD LYS 50 2HD LYS 50 -14.596 -10.461 -10.991 404 2HD LYS 50 1HD LYS 50 -13.696 -11.979 -10.976 405 1HE LYS 50 2HE LYS 50 -16.248 -12.536 -12.122 406 2HE LYS 50 1HE LYS 50 -15.604 -11.089 -12.923 407 1HZ LYS 50 1HZ LYS 50 -14.448 -13.782 -12.749 408 2HZ LYS 50 2HZ LYS 50 -13.392 -12.452 -12.800 409 3HZ LYS 50 3HZ LYS 50 -14.494 -12.715 -14.066 410 H VAL 51 H VAL 51 -12.370 -11.024 -7.257 411 HA VAL 51 HA VAL 51 -11.551 -8.309 -7.932 412 HB VAL 51 HB VAL 51 -10.210 -10.883 -7.101 413 1HG1 VAL 51 1HG1 VAL 51 -8.176 -9.276 -6.790 414 2HG1 VAL 51 2HG1 VAL 51 -8.983 -8.282 -8.003 415 3HG1 VAL 51 3HG1 VAL 51 -8.493 -9.930 -8.397 416 1HG2 VAL 51 1HG2 VAL 51 -11.196 -8.403 -5.828 417 2HG2 VAL 51 2HG2 VAL 51 -9.603 -8.926 -5.281 418 3HG2 VAL 51 3HG2 VAL 51 -10.984 -10.014 -5.141 419 H VAL 52 H VAL 52 -11.224 -7.670 -10.000 420 HA VAL 52 HA VAL 52 -10.560 -9.711 -12.066 421 HB VAL 52 HB VAL 52 -12.557 -8.190 -12.253 422 1HG1 VAL 52 1HG1 VAL 52 -11.755 -5.822 -13.133 423 2HG1 VAL 52 2HG1 VAL 52 -10.384 -6.150 -12.070 424 3HG1 VAL 52 3HG1 VAL 52 -12.019 -6.116 -11.422 425 1HG2 VAL 52 1HG2 VAL 52 -12.347 -8.303 -14.490 426 2HG2 VAL 52 2HG2 VAL 52 -10.738 -8.966 -14.181 427 3HG2 VAL 52 3HG2 VAL 52 -10.935 -7.239 -14.481 428 H LYS 53 H LYS 53 -8.995 -7.551 -10.064 429 HA LYS 53 HA LYS 53 -6.474 -7.794 -11.364 430 1HB LYS 53 2HB LYS 53 -6.387 -6.000 -12.783 431 2HB LYS 53 1HB LYS 53 -8.141 -6.127 -12.741 432 1HG LYS 53 2HG LYS 53 -8.020 -3.935 -12.147 433 2HG LYS 53 1HG LYS 53 -7.716 -4.586 -10.543 434 1HD LYS 53 2HD LYS 53 -5.916 -3.122 -10.792 435 2HD LYS 53 1HD LYS 53 -5.213 -4.642 -11.344 436 1HE LYS 53 2HE LYS 53 -6.609 -3.145 -13.470 437 2HE LYS 53 1HE LYS 53 -5.182 -2.319 -12.812 438 1HZ LYS 53 1HZ LYS 53 -4.113 -4.632 -12.932 439 2HZ LYS 53 2HZ LYS 53 -4.280 -3.757 -14.379 440 3HZ LYS 53 3HZ LYS 53 -5.365 -5.012 -14.011 441 H VAL 54 H VAL 54 -4.836 -7.040 -9.984 442 HA VAL 54 HA VAL 54 -5.681 -5.379 -7.648 443 HB VAL 54 HB VAL 54 -4.805 -8.168 -7.760 444 1HG1 VAL 54 1HG1 VAL 54 -2.603 -7.290 -7.162 445 2HG1 VAL 54 2HG1 VAL 54 -3.337 -8.028 -5.737 446 3HG1 VAL 54 3HG1 VAL 54 -3.319 -6.272 -5.910 447 1HG2 VAL 54 1HG2 VAL 54 -5.544 -6.737 -5.244 448 2HG2 VAL 54 2HG2 VAL 54 -6.084 -8.307 -5.842 449 3HG2 VAL 54 3HG2 VAL 54 -6.753 -6.826 -6.527 450 H ASN 55 H ASN 55 -4.414 -3.575 -7.661 451 HA ASN 55 HA ASN 55 -1.579 -3.877 -8.575 452 1HB ASN 55 2HB ASN 55 -3.637 -2.317 -9.617 453 2HB ASN 55 1HB ASN 55 -2.729 -1.181 -8.619 454 1HD2 ASN 55 1HD2 ASN 55 -2.484 -0.564 -11.217 455 2HD2 ASN 55 2HD2 ASN 55 -1.016 -1.104 -11.879 456 H THR 56 H THR 56 -0.263 -3.776 -6.820 457 HA THR 56 HA THR 56 -1.099 -2.003 -4.562 458 HB THR 56 HB THR 56 -0.734 -3.805 -3.236 459 HG1 THR 56 1HG THR 56 1.767 -4.133 -4.522 460 1HG2 THR 56 1HG2 THR 56 0.206 -5.329 -5.677 461 2HG2 THR 56 2HG2 THR 56 -1.492 -5.060 -5.285 462 3HG2 THR 56 3HG2 THR 56 -0.474 -6.000 -4.197 463 H LEU 57 H LEU 57 0.788 -1.074 -3.328 464 HA LEU 57 HA LEU 57 3.320 -0.807 -4.841 465 1HB LEU 57 2HB LEU 57 2.974 1.742 -4.721 466 2HB LEU 57 1HB LEU 57 1.994 0.875 -5.902 467 HG LEU 57 HG LEU 57 0.802 1.067 -3.205 468 1HD1 LEU 57 1HD1 LEU 57 1.122 3.287 -2.956 469 2HD1 LEU 57 2HD1 LEU 57 0.092 3.508 -4.371 470 3HD1 LEU 57 3HD1 LEU 57 1.844 3.426 -4.559 471 1HD2 LEU 57 1HD2 LEU 57 0.032 0.737 -5.966 472 2HD2 LEU 57 2HD2 LEU 57 -0.854 2.093 -5.267 473 3HD2 LEU 57 3HD2 LEU 57 -0.943 0.500 -4.515 474 H HIS 58 H HIS 58 5.028 -0.017 -3.476 475 HA HIS 58 HA HIS 58 4.726 -0.517 -0.658 476 1HB HIS 58 2HB HIS 58 6.800 -0.678 -2.138 477 2HB HIS 58 1HB HIS 58 6.894 1.081 -2.044 478 HD1 HIS 58 1HD HIS 58 9.134 -0.634 -0.789 479 HD2 HIS 58 2HD HIS 58 5.804 0.722 1.327 480 HE1 HIS 58 1HE HIS 58 9.791 -0.634 1.657 481 H VAL 59 H VAL 59 3.918 0.843 0.865 482 HA VAL 59 HA VAL 59 3.848 3.781 0.258 483 HB VAL 59 HB VAL 59 1.926 3.114 2.232 484 1HG1 VAL 59 1HG1 VAL 59 2.065 4.692 0.055 485 2HG1 VAL 59 2HG1 VAL 59 0.534 4.264 0.820 486 3HG1 VAL 59 3HG1 VAL 59 1.083 3.384 -0.607 487 1HG2 VAL 59 1HG2 VAL 59 1.740 1.250 -0.158 488 2HG2 VAL 59 2HG2 VAL 59 0.554 1.408 1.137 489 3HG2 VAL 59 3HG2 VAL 59 2.149 0.743 1.480 490 H ARG 60 H ARG 60 4.704 5.128 1.835 491 HA ARG 60 HA ARG 60 5.129 4.142 4.584 492 1HB ARG 60 2HB ARG 60 7.656 4.866 4.189 493 2HB ARG 60 1HB ARG 60 7.116 3.241 3.787 494 1HG ARG 60 2HG ARG 60 6.923 5.406 1.716 495 2HG ARG 60 1HG ARG 60 8.480 4.634 2.019 496 1HD ARG 60 2HD ARG 60 6.575 2.535 1.884 497 2HD ARG 60 1HD ARG 60 6.250 3.606 0.507 498 HE ARG 60 HE ARG 60 8.242 2.726 -0.398 499 1HH1 ARG 60 1HH1 ARG 60 8.256 2.024 2.909 500 2HH1 ARG 60 2HH1 ARG 60 9.980 1.943 3.052 501 1HH2 ARG 60 1HH2 ARG 60 10.566 3.061 -0.177 502 2HH2 ARG 60 2HH2 ARG 60 11.288 2.532 1.306 503 H GLY 61 H GLY 61 6.888 6.014 5.487 504 1HA GLY 61 2HA GLY 61 6.893 8.213 6.285 505 2HA GLY 61 1HA GLY 61 6.710 8.659 4.589 506 H LYS 62 H LYS 62 4.530 7.024 6.904 507 HA LYS 62 HA LYS 62 2.479 9.122 6.268 508 1HB LYS 62 2HB LYS 62 2.410 6.527 5.523 509 2HB LYS 62 1HB LYS 62 1.684 6.383 7.124 510 1HG LYS 62 2HG LYS 62 -0.144 6.778 5.654 511 2HG LYS 62 1HG LYS 62 0.161 8.330 6.436 512 1HD LYS 62 2HD LYS 62 1.853 8.421 4.256 513 2HD LYS 62 1HD LYS 62 0.445 7.575 3.613 514 1HE LYS 62 2HE LYS 62 0.224 10.156 5.192 515 2HE LYS 62 1HE LYS 62 0.312 10.104 3.420 516 1HZ LYS 62 1HZ LYS 62 -1.770 9.033 5.205 517 2HZ LYS 62 2HZ LYS 62 -1.497 8.289 3.703 518 3HZ LYS 62 3HZ LYS 62 -1.945 9.926 3.774 519 H LYS 63 H LYS 63 3.808 6.920 8.716 520 HA LYS 63 HA LYS 63 2.078 7.596 10.880 521 1HB LYS 63 2HB LYS 63 4.581 6.213 10.359 522 2HB LYS 63 1HB LYS 63 4.649 7.076 11.896 523 1HG LYS 63 2HG LYS 63 3.743 4.749 12.113 524 2HG LYS 63 1HG LYS 63 2.613 5.989 12.658 525 1HD LYS 63 2HD LYS 63 1.413 5.887 10.537 526 2HD LYS 63 1HD LYS 63 2.588 4.739 9.895 527 1HE LYS 63 2HE LYS 63 0.893 3.289 10.612 528 2HE LYS 63 1HE LYS 63 1.912 3.349 12.064 529 1HZ LYS 63 1HZ LYS 63 -0.098 5.448 11.671 530 2HZ LYS 63 2HZ LYS 63 0.509 4.792 13.117 531 3HZ LYS 63 3HZ LYS 63 -0.629 3.925 12.200 532 H LYS 64 H LYS 64 2.096 9.322 12.316 533 HA LYS 64 HA LYS 64 2.980 11.854 11.738 534 1HB LYS 64 2HB LYS 64 2.392 10.289 14.185 535 2HB LYS 64 1HB LYS 64 3.273 11.794 14.449 536 1HG LYS 64 2HG LYS 64 1.455 12.770 12.787 537 2HG LYS 64 1HG LYS 64 0.521 11.379 13.342 538 1HD LYS 64 2HD LYS 64 1.242 12.169 15.729 539 2HD LYS 64 1HD LYS 64 1.556 13.711 14.934 540 1HE LYS 64 2HE LYS 64 -0.718 13.826 15.706 541 2HE LYS 64 1HE LYS 64 -0.826 13.509 13.962 542 1HZ LYS 64 1HZ LYS 64 -0.578 11.243 15.814 543 2HZ LYS 64 2HZ LYS 64 -1.324 11.310 14.289 544 3HZ LYS 64 3HZ LYS 64 -2.092 11.987 15.645 545 H ARG 65 H ARG 65 5.077 11.972 10.798 546 HA ARG 65 HA ARG 65 7.380 11.099 12.503 547 1HB ARG 65 2HB ARG 65 6.709 11.087 9.684 548 2HB ARG 65 1HB ARG 65 8.222 11.957 9.949 549 1HG ARG 65 2HG ARG 65 8.862 9.947 11.464 550 2HG ARG 65 1HG ARG 65 7.549 9.099 10.646 551 1HD ARG 65 2HD ARG 65 9.756 8.729 9.522 552 2HD ARG 65 1HD ARG 65 8.606 9.561 8.456 553 HE ARG 65 HE ARG 65 10.040 11.428 8.537 554 1HH1 ARG 65 1HH1 ARG 65 12.067 9.436 9.835 555 2HH1 ARG 65 2HH1 ARG 65 12.606 10.395 11.172 556 1HH2 ARG 65 1HH2 ARG 65 10.018 12.689 10.911 557 2HH2 ARG 65 2HH2 ARG 65 11.445 12.237 11.782 558 H LEU 66 H LEU 66 6.813 13.715 10.119 559 HA LEU 66 HA LEU 66 7.538 15.967 10.156 560 1HB LEU 66 2HB LEU 66 6.029 15.262 12.485 561 2HB LEU 66 1HB LEU 66 7.283 16.402 12.976 562 HG LEU 66 HG LEU 66 6.589 17.959 11.210 563 1HD1 LEU 66 1HD1 LEU 66 4.972 17.477 9.616 564 2HD1 LEU 66 2HD1 LEU 66 4.177 16.278 10.637 565 3HD1 LEU 66 3HD1 LEU 66 5.694 15.881 9.828 566 1HD2 LEU 66 1HD2 LEU 66 5.126 18.788 12.708 567 2HD2 LEU 66 2HD2 LEU 66 5.061 17.211 13.495 568 3HD2 LEU 66 3HD2 LEU 66 3.920 17.603 12.208 569 H GLY 67 H GLY 67 9.084 17.481 11.640 570 1HA GLY 67 2HA GLY 67 11.588 16.011 11.816 571 2HA GLY 67 1HA GLY 67 11.425 17.757 11.932 572 H ARG 68 H ARG 68 9.687 15.314 13.801 573 HA ARG 68 HA ARG 68 11.245 15.970 16.226 574 1HB ARG 68 2HB ARG 68 8.248 16.091 16.263 575 2HB ARG 68 1HB ARG 68 9.386 16.894 17.348 576 1HG ARG 68 2HG ARG 68 10.080 18.381 15.510 577 2HG ARG 68 1HG ARG 68 8.955 17.560 14.427 578 1HD ARG 68 2HD ARG 68 7.937 18.757 17.003 579 2HD ARG 68 1HD ARG 68 8.167 19.784 15.573 580 HE ARG 68 HE ARG 68 6.794 17.866 14.394 581 1HH1 ARG 68 1HH2 ARG 68 5.886 20.023 16.742 582 2HH1 ARG 68 2HH2 ARG 68 4.455 19.182 17.237 583 1HH2 ARG 68 1HH1 ARG 68 5.178 16.326 15.408 584 2HH2 ARG 68 2HH1 ARG 68 4.054 17.090 16.483 585 H TYR 69 H TYR 69 10.465 13.734 14.354 586 HA TYR 69 HA TYR 69 9.791 11.712 16.453 587 1HB TYR 69 2HB TYR 69 7.913 12.619 14.867 588 2HB TYR 69 1HB TYR 69 8.709 11.621 13.655 589 HD1 TYR 69 1HD TYR 69 7.765 11.299 17.279 590 HD2 TYR 69 2HD TYR 69 7.771 9.500 13.378 591 HE1 TYR 69 1HE TYR 69 6.626 9.298 18.199 592 HE2 TYR 69 2HE TYR 69 6.633 7.499 14.299 593 HH TYR 69 HH TYR 69 5.453 7.421 17.616 594 H LEU 70 H LEU 70 9.833 9.505 14.743 595 HA LEU 70 HA LEU 70 12.198 9.517 13.034 596 1HB LEU 70 2HB LEU 70 12.236 8.642 15.897 597 2HB LEU 70 1HB LEU 70 13.202 7.736 14.730 598 HG LEU 70 HG LEU 70 13.717 10.399 14.094 599 1HD1 LEU 70 1HD1 LEU 70 13.788 11.677 15.977 600 2HD1 LEU 70 2HD1 LEU 70 14.336 10.334 16.979 601 3HD1 LEU 70 3HD1 LEU 70 12.622 10.513 16.606 602 1HD2 LEU 70 1HD2 LEU 70 15.721 9.443 15.889 603 2HD2 LEU 70 2HD2 LEU 70 15.751 9.434 14.125 604 3HD2 LEU 70 3HD2 LEU 70 15.089 8.055 15.005 605 H GLY 71 H GLY 71 11.065 8.358 11.498 606 1HA GLY 71 2HA GLY 71 10.367 5.560 12.192 607 2HA GLY 71 1HA GLY 71 9.118 6.553 11.441 608 H LYS 72 H LYS 72 12.486 5.479 10.930 609 HA LYS 72 HA LYS 72 12.956 6.216 8.307 610 1HB LYS 72 2HB LYS 72 13.460 3.591 9.739 611 2HB LYS 72 1HB LYS 72 14.216 4.016 8.203 612 1HG LYS 72 2HG LYS 72 14.628 6.268 9.786 613 2HG LYS 72 1HG LYS 72 14.873 4.922 10.900 614 1HD LYS 72 2HD LYS 72 16.125 4.832 8.170 615 2HD LYS 72 1HD LYS 72 16.891 5.773 9.452 616 1HE LYS 72 2HE LYS 72 17.845 3.824 10.130 617 2HE LYS 72 1HE LYS 72 16.228 3.336 10.678 618 1HZ LYS 72 1HZ LYS 72 15.763 2.606 8.385 619 2HZ LYS 72 2HZ LYS 72 17.031 1.729 9.098 620 3HZ LYS 72 3HZ LYS 72 17.370 2.945 7.961 621 H ARG 73 H ARG 73 12.642 5.019 6.249 622 HA ARG 73 HA ARG 73 10.050 4.487 5.474 623 1HB ARG 73 2HB ARG 73 12.767 3.627 4.629 624 2HB ARG 73 1HB ARG 73 11.421 2.719 3.939 625 1HG ARG 73 2HG ARG 73 10.491 4.629 2.923 626 2HG ARG 73 1HG ARG 73 11.395 5.732 3.960 627 1HD ARG 73 2HD ARG 73 13.043 3.905 2.289 628 2HD ARG 73 1HD ARG 73 12.163 5.180 1.423 629 HE ARG 73 HE ARG 73 13.696 5.934 3.859 630 1HH1 ARG 73 1HH2 ARG 73 14.199 5.403 0.578 631 2HH1 ARG 73 2HH2 ARG 73 14.839 6.977 0.243 632 1HH2 ARG 73 1HH1 ARG 73 14.095 8.239 3.386 633 2HH2 ARG 73 2HH1 ARG 73 14.781 8.583 1.832 634 HA PRO 74 HA PRO 74 9.450 0.854 8.126 635 1HB PRO 74 2HB PRO 74 6.728 1.024 8.127 636 2HB PRO 74 1HB PRO 74 7.751 1.997 9.200 637 1HG PRO 74 2HG PRO 74 6.407 2.763 6.660 638 2HG PRO 74 1HG PRO 74 6.629 3.698 8.146 639 1HD PRO 74 2HD PRO 74 8.151 4.038 5.904 640 2HD PRO 74 1HD PRO 74 8.725 4.395 7.548 641 H ASP 75 H ASP 75 7.322 -0.808 7.645 642 HA ASP 75 HA ASP 75 7.684 -1.594 4.785 643 1HB ASP 75 2HB ASP 75 7.508 -3.066 7.400 644 2HB ASP 75 1HB ASP 75 6.990 -3.883 5.924 645 H ARG 76 H ARG 76 5.852 -0.344 4.143 646 HA ARG 76 HA ARG 76 3.228 -1.555 4.912 647 1HB ARG 76 2HB ARG 76 3.306 0.449 6.156 648 2HB ARG 76 1HB ARG 76 4.165 1.311 4.883 649 1HG ARG 76 2HG ARG 76 2.051 1.003 3.460 650 2HG ARG 76 1HG ARG 76 1.249 0.526 4.957 651 1HD ARG 76 2HD ARG 76 2.806 2.948 5.359 652 2HD ARG 76 1HD ARG 76 1.626 3.156 4.051 653 HE ARG 76 HE ARG 76 -0.143 2.674 5.610 654 1HH1 ARG 76 1HH2 ARG 76 2.315 4.051 7.190 655 2HH1 ARG 76 2HH2 ARG 76 2.087 3.265 8.716 656 1HH2 ARG 76 1HH1 ARG 76 -0.147 0.922 7.476 657 2HH2 ARG 76 2HH1 ARG 76 0.692 1.493 8.879 658 H LYS 77 H LYS 77 2.268 -2.298 3.059 659 HA LYS 77 HA LYS 77 2.929 -0.921 0.475 660 1HB LYS 77 2HB LYS 77 3.896 -3.086 0.457 661 2HB LYS 77 1HB LYS 77 2.502 -3.806 1.259 662 1HG LYS 77 2HG LYS 77 1.124 -3.425 -0.730 663 2HG LYS 77 1HG LYS 77 2.477 -2.625 -1.534 664 1HD LYS 77 2HD LYS 77 3.408 -4.594 -2.126 665 2HD LYS 77 1HD LYS 77 3.222 -5.250 -0.499 666 1HE LYS 77 2HE LYS 77 1.305 -6.354 -1.046 667 2HE LYS 77 1HE LYS 77 0.683 -4.984 -1.987 668 1HZ LYS 77 1HZ LYS 77 2.590 -5.557 -3.583 669 2HZ LYS 77 2HZ LYS 77 1.204 -6.537 -3.613 670 3HZ LYS 77 3HZ LYS 77 2.606 -7.068 -2.813 671 H LYS 78 H LYS 78 1.191 -0.389 -0.863 672 HA LYS 78 HA LYS 78 -1.530 -0.707 0.316 673 1HB LYS 78 2HB LYS 78 -0.227 1.471 -0.564 674 2HB LYS 78 1HB LYS 78 -0.934 0.957 -2.094 675 1HG LYS 78 2HG LYS 78 -2.658 2.274 -1.292 676 2HG LYS 78 1HG LYS 78 -3.123 0.720 -0.599 677 1HD LYS 78 2HD LYS 78 -2.654 1.385 1.528 678 2HD LYS 78 1HD LYS 78 -1.217 2.281 1.032 679 1HE LYS 78 2HE LYS 78 -4.077 3.230 0.613 680 2HE LYS 78 1HE LYS 78 -2.980 3.819 1.874 681 1HZ LYS 78 1HZ LYS 78 -2.416 5.279 0.255 682 2HZ LYS 78 2HZ LYS 78 -2.887 4.246 -1.010 683 3HZ LYS 78 3HZ LYS 78 -1.397 4.013 -0.228 684 H ALA 79 H ALA 79 -3.218 -1.681 -0.938 685 HA ALA 79 HA ALA 79 -2.352 -2.986 -3.501 686 1HB ALA 79 1HB ALA 79 -4.392 -4.217 -1.722 687 2HB ALA 79 2HB ALA 79 -2.702 -4.298 -1.208 688 3HB ALA 79 3HB ALA 79 -3.189 -4.996 -2.757 689 H ILE 80 H ILE 80 -3.607 -2.354 -5.177 690 HA ILE 80 HA ILE 80 -6.350 -1.334 -4.581 691 HB ILE 80 HB ILE 80 -4.357 -0.920 -6.817 692 1HG1 ILE 80 2HG1 ILE 80 -4.554 1.419 -6.132 693 2HG1 ILE 80 1HG1 ILE 80 -5.789 1.000 -4.951 694 1HG2 ILE 80 1HG2 ILE 80 -6.376 0.750 -7.461 695 2HG2 ILE 80 2HG2 ILE 80 -7.309 -0.578 -6.770 696 3HG2 ILE 80 3HG2 ILE 80 -6.233 -0.874 -8.136 697 1HD1 ILE 80 1HD1 ILE 80 -4.266 -0.046 -3.539 698 2HD1 ILE 80 2HD1 ILE 80 -3.282 1.265 -4.191 699 3HD1 ILE 80 3HD1 ILE 80 -3.120 -0.367 -4.841 700 H VAL 81 H VAL 81 -7.838 -2.918 -4.864 701 HA VAL 81 HA VAL 81 -7.369 -4.996 -6.959 702 HB VAL 81 HB VAL 81 -9.451 -4.922 -4.764 703 1HG1 VAL 81 1HG1 VAL 81 -8.288 -7.487 -5.430 704 2HG1 VAL 81 2HG1 VAL 81 -8.906 -6.698 -6.883 705 3HG1 VAL 81 3HG1 VAL 81 -9.976 -6.980 -5.509 706 1HG2 VAL 81 1HG2 VAL 81 -7.304 -6.607 -4.024 707 2HG2 VAL 81 2HG2 VAL 81 -7.789 -5.097 -3.251 708 3HG2 VAL 81 3HG2 VAL 81 -6.574 -5.082 -4.530 709 H GLN 82 H GLN 82 -8.681 -5.047 -8.775 710 HA GLN 82 HA GLN 82 -10.966 -3.113 -8.862 711 1HB GLN 82 2HB GLN 82 -8.950 -3.100 -10.487 712 2HB GLN 82 1HB GLN 82 -9.637 -4.574 -11.146 713 1HG GLN 82 2HG GLN 82 -10.864 -3.223 -12.470 714 2HG GLN 82 1HG GLN 82 -11.826 -2.918 -11.024 715 1HE2 GLN 82 1HE2 GLN 82 -12.253 -0.695 -11.791 716 2HE2 GLN 82 2HE2 GLN 82 -11.049 0.495 -11.682 717 H VAL 83 H VAL 83 -13.039 -3.993 -9.296 718 HA VAL 83 HA VAL 83 -13.038 -6.957 -9.569 719 HB VAL 83 HB VAL 83 -15.104 -6.979 -8.424 720 1HG1 VAL 83 1HG1 VAL 83 -14.555 -6.032 -6.359 721 2HG1 VAL 83 2HG1 VAL 83 -13.855 -4.589 -7.095 722 3HG1 VAL 83 3HG1 VAL 83 -12.979 -6.119 -7.148 723 1HG2 VAL 83 1HG2 VAL 83 -15.252 -3.976 -8.832 724 2HG2 VAL 83 2HG2 VAL 83 -16.476 -4.989 -8.063 725 3HG2 VAL 83 3HG2 VAL 83 -16.136 -5.172 -9.787 726 H ALA 84 H ALA 84 -14.578 -7.853 -11.066 727 HA ALA 84 HA ALA 84 -14.588 -6.698 -13.623 728 1HB ALA 84 1HB ALA 84 -15.799 -8.895 -12.166 729 2HB ALA 84 2HB ALA 84 -15.250 -8.831 -13.846 730 3HB ALA 84 3HB ALA 84 -16.877 -8.287 -13.423 731 HA PRO 85 HA PRO 85 -17.884 -3.833 -13.807 732 1HB PRO 85 2HB PRO 85 -19.366 -4.625 -15.970 733 2HB PRO 85 1HB PRO 85 -17.761 -3.905 -16.114 734 1HG PRO 85 2HG PRO 85 -18.567 -6.724 -16.306 735 2HG PRO 85 1HG PRO 85 -17.329 -5.850 -17.203 736 1HD PRO 85 2HD PRO 85 -16.794 -7.544 -15.113 737 2HD PRO 85 1HD PRO 85 -15.739 -6.210 -15.601 738 H GLY 86 H GLY 86 -19.968 -3.494 -12.975 739 1HA GLY 86 2HA GLY 86 -22.211 -4.113 -12.379 740 2HA GLY 86 1HA GLY 86 -21.817 -5.794 -12.745 741 H GLN 87 H GLN 87 -19.266 -5.541 -11.159 742 HA GLN 87 HA GLN 87 -20.418 -6.286 -8.562 743 1HB GLN 87 2HB GLN 87 -17.684 -6.204 -9.836 744 2HB GLN 87 1HB GLN 87 -17.882 -6.600 -8.127 745 1HG GLN 87 2HG GLN 87 -18.884 -8.615 -8.569 746 2HG GLN 87 1HG GLN 87 -19.650 -8.029 -10.046 747 1HE2 GLN 87 1HE2 GLN 87 -18.726 -10.178 -10.924 748 2HE2 GLN 87 2HE2 GLN 87 -17.129 -10.161 -11.500 749 H LYS 88 H LYS 88 -19.323 -5.349 -6.541 750 HA LYS 88 HA LYS 88 -18.037 -2.786 -6.564 751 1HB LYS 88 2HB LYS 88 -20.069 -1.444 -5.894 752 2HB LYS 88 1HB LYS 88 -20.120 -2.033 -7.556 753 1HG LYS 88 2HG LYS 88 -21.570 -3.870 -6.924 754 2HG LYS 88 1HG LYS 88 -21.412 -3.462 -5.216 755 1HD LYS 88 2HD LYS 88 -23.397 -2.378 -5.646 756 2HD LYS 88 1HD LYS 88 -22.284 -1.090 -6.106 757 1HE LYS 88 2HE LYS 88 -23.425 -3.136 -8.044 758 2HE LYS 88 1HE LYS 88 -24.026 -1.477 -7.855 759 1HZ LYS 88 1HZ LYS 88 -21.515 -0.899 -8.091 760 2HZ LYS 88 2HZ LYS 88 -22.448 -1.190 -9.481 761 3HZ LYS 88 3HZ LYS 88 -21.426 -2.402 -8.871 762 H ILE 89 H ILE 89 -17.143 -2.597 -4.540 763 HA ILE 89 HA ILE 89 -18.162 -4.319 -2.356 764 HB ILE 89 HB ILE 89 -15.704 -2.641 -2.879 765 1HG1 ILE 89 2HG1 ILE 89 -16.278 -5.588 -2.465 766 2HG1 ILE 89 1HG1 ILE 89 -15.648 -4.810 -3.917 767 1HG2 ILE 89 1HG2 ILE 89 -16.359 -2.378 -0.494 768 2HG2 ILE 89 2HG2 ILE 89 -14.863 -3.295 -0.673 769 3HG2 ILE 89 3HG2 ILE 89 -16.375 -4.133 -0.325 770 1HD1 ILE 89 1HD1 ILE 89 -14.240 -5.581 -1.427 771 2HD1 ILE 89 2HD1 ILE 89 -13.787 -4.017 -2.105 772 3HD1 ILE 89 3HD1 ILE 89 -13.631 -5.479 -3.079 773 H GLU 90 H GLU 90 -19.714 -3.438 -1.043 774 HA GLU 90 HA GLU 90 -20.160 -0.560 -0.866 775 1HB GLU 90 2HB GLU 90 -22.044 -1.238 0.465 776 2HB GLU 90 1HB GLU 90 -21.860 -2.462 -0.792 777 1HG GLU 90 2HG GLU 90 -20.586 -3.880 0.791 778 2HG GLU 90 1HG GLU 90 -20.823 -2.668 2.051 779 H ALA 91 H ALA 91 -18.166 -2.808 0.804 780 HA ALA 91 HA ALA 91 -18.131 -1.848 3.456 781 1HB ALA 91 1HB ALA 91 -16.895 -3.772 3.071 782 2HB ALA 91 2HB ALA 91 -15.595 -2.582 3.118 783 3HB ALA 91 3HB ALA 91 -16.210 -3.154 1.568 784 H LEU 92 H LEU 92 -16.711 -0.431 0.545 785 HA LEU 92 HA LEU 92 -15.406 1.677 2.225 786 1HB LEU 92 2HB LEU 92 -14.985 1.626 -0.707 787 2HB LEU 92 1HB LEU 92 -13.804 1.781 0.588 788 HG LEU 92 HG LEU 92 -15.123 -0.770 -0.372 789 1HD1 LEU 92 1HD1 LEU 92 -13.354 -0.268 -1.848 790 2HD1 LEU 92 2HD1 LEU 92 -12.595 -1.325 -0.657 791 3HD1 LEU 92 3HD1 LEU 92 -12.359 0.420 -0.565 792 1HD2 LEU 92 1HD2 LEU 92 -14.684 -1.649 1.657 793 2HD2 LEU 92 2HD2 LEU 92 -14.098 -0.080 2.211 794 3HD2 LEU 92 3HD2 LEU 92 -12.982 -1.225 1.466 795 H GLU 93 H GLU 93 -17.952 1.106 -0.090 796 HA GLU 93 HA GLU 93 -18.309 3.749 -1.089 797 1HB GLU 93 2HB GLU 93 -19.966 1.280 -0.722 798 2HB GLU 93 1HB GLU 93 -20.772 2.767 -1.221 799 1HG GLU 93 2HG GLU 93 -18.260 2.061 -2.655 800 2HG GLU 93 1HG GLU 93 -19.676 1.065 -2.995 801 H GLY 94 H GLY 94 -19.570 2.149 1.833 802 1HA GLY 94 2HA GLY 94 -21.022 4.602 2.609 803 2HA GLY 94 1HA GLY 94 -21.053 3.066 3.476 804 H LEU 95 H LEU 95 -17.930 3.223 3.044 805 HA LEU 95 HA LEU 95 -17.223 3.981 5.678 806 1HB LEU 95 2HB LEU 95 -16.004 3.128 3.232 807 2HB LEU 95 1HB LEU 95 -15.065 4.477 3.869 808 HG LEU 95 HG LEU 95 -14.746 3.372 5.976 809 1HD1 LEU 95 1HD1 LEU 95 -16.437 2.103 6.758 810 2HD1 LEU 95 2HD1 LEU 95 -15.891 0.823 5.673 811 3HD1 LEU 95 3HD1 LEU 95 -17.137 1.954 5.147 812 1HD2 LEU 95 1HD2 LEU 95 -13.546 1.359 5.297 813 2HD2 LEU 95 2HD2 LEU 95 -13.328 2.596 4.060 814 3HD2 LEU 95 3HD2 LEU 95 -14.469 1.278 3.796 815 H ILE 96 H ILE 96 -17.992 5.956 2.948 816 HA ILE 96 HA ILE 96 -16.447 8.299 3.578 817 HB ILE 96 HB ILE 96 -19.105 7.905 2.164 818 1HG1 ILE 96 2HG1 ILE 96 -16.398 8.291 0.891 819 2HG1 ILE 96 1HG1 ILE 96 -16.946 6.685 1.375 820 1HG2 ILE 96 1HG2 ILE 96 -18.047 10.056 0.970 821 2HG2 ILE 96 2HG2 ILE 96 -17.321 10.264 2.564 822 3HG2 ILE 96 3HG2 ILE 96 -19.075 10.199 2.396 823 1HD1 ILE 96 1HD1 ILE 96 -18.715 6.682 -0.154 824 2HD1 ILE 96 2HD1 ILE 96 -17.459 7.533 -1.053 825 3HD1 ILE 96 3HD1 ILE 96 -18.749 8.442 -0.266 Start of MODEL 18 1 1H MET 1 1HT MET 1 -6.500 -18.831 7.226 2 2H MET 1 2HT MET 1 -6.305 -17.303 7.941 3 3H MET 1 3HT MET 1 -5.542 -17.656 6.465 4 HA MET 1 HA MET 1 -8.035 -18.104 5.716 5 1HB MET 1 2HB MET 1 -8.452 -17.472 8.265 6 2HB MET 1 1HB MET 1 -8.366 -15.822 7.638 7 1HG MET 1 2HG MET 1 -10.455 -15.990 6.835 8 2HG MET 1 1HG MET 1 -9.991 -17.391 5.870 9 1HE MET 1 1HE MET 1 -13.242 -18.583 7.459 10 2HE MET 1 2HE MET 1 -12.466 -17.736 6.123 11 3HE MET 1 3HE MET 1 -12.986 -16.834 7.544 12 H LYS 2 H LYS 2 -6.201 -17.241 4.117 13 HA LYS 2 HA LYS 2 -5.573 -14.479 4.073 14 1HB LYS 2 2HB LYS 2 -4.945 -14.864 1.768 15 2HB LYS 2 1HB LYS 2 -4.503 -16.270 2.722 16 1HG LYS 2 2HG LYS 2 -7.064 -16.917 2.001 17 2HG LYS 2 1HG LYS 2 -6.519 -16.023 0.581 18 1HD LYS 2 2HD LYS 2 -4.335 -17.581 1.067 19 2HD LYS 2 1HD LYS 2 -5.629 -18.649 1.611 20 1HE LYS 2 2HE LYS 2 -6.807 -18.089 -0.615 21 2HE LYS 2 1HE LYS 2 -5.239 -17.441 -1.136 22 1HZ LYS 2 1HZ LYS 2 -4.296 -19.611 -0.234 23 2HZ LYS 2 2HZ LYS 2 -5.142 -19.692 -1.706 24 3HZ LYS 2 3HZ LYS 2 -5.888 -20.193 -0.264 25 H THR 3 H THR 3 -7.324 -13.293 4.597 26 HA THR 3 HA THR 3 -9.463 -13.019 2.511 27 HB THR 3 HB THR 3 -10.112 -14.396 4.488 28 HG1 THR 3 1HG THR 3 -11.457 -12.005 4.895 29 1HG2 THR 3 1HG2 THR 3 -10.107 -13.485 6.691 30 2HG2 THR 3 2HG2 THR 3 -9.718 -11.873 6.092 31 3HG2 THR 3 3HG2 THR 3 -8.511 -13.158 6.014 32 H ALA 4 H ALA 4 -7.672 -11.659 5.191 33 HA ALA 4 HA ALA 4 -7.595 -8.990 4.042 34 1HB ALA 4 1HB ALA 4 -8.961 -8.143 6.118 35 2HB ALA 4 2HB ALA 4 -9.560 -9.805 6.160 36 3HB ALA 4 3HB ALA 4 -9.818 -8.806 4.725 37 H TYR 5 H TYR 5 -7.067 -11.162 6.729 38 HA TYR 5 HA TYR 5 -5.615 -9.789 8.641 39 1HB TYR 5 2HB TYR 5 -4.726 -11.988 9.074 40 2HB TYR 5 1HB TYR 5 -6.323 -12.233 8.367 41 HD1 TYR 5 1HD TYR 5 -4.066 -14.297 8.327 42 HD2 TYR 5 2HD TYR 5 -5.174 -11.252 5.500 43 HE1 TYR 5 1HE TYR 5 -3.010 -15.589 6.490 44 HE2 TYR 5 2HE TYR 5 -4.144 -12.532 3.681 45 HH TYR 5 HH TYR 5 -3.029 -15.802 4.142 46 H ASP 6 H ASP 6 -3.093 -11.477 8.081 47 HA ASP 6 HA ASP 6 -1.001 -9.940 7.635 48 1HB ASP 6 2HB ASP 6 -1.836 -12.479 6.220 49 2HB ASP 6 1HB ASP 6 -0.216 -11.803 6.004 50 H VAL 7 H VAL 7 -2.567 -11.223 4.699 51 HA VAL 7 HA VAL 7 -1.289 -9.566 2.840 52 HB VAL 7 HB VAL 7 -4.090 -10.736 2.794 53 1HG1 VAL 7 1HG1 VAL 7 -2.607 -10.636 0.285 54 2HG1 VAL 7 2HG1 VAL 7 -2.888 -9.023 0.952 55 3HG1 VAL 7 3HG1 VAL 7 -4.250 -10.102 0.638 56 1HG2 VAL 7 1HG2 VAL 7 -3.140 -12.722 1.964 57 2HG2 VAL 7 2HG2 VAL 7 -2.036 -12.258 3.262 58 3HG2 VAL 7 3HG2 VAL 7 -1.605 -11.940 1.581 59 H ILE 8 H ILE 8 -4.575 -8.896 2.383 60 HA ILE 8 HA ILE 8 -4.121 -6.037 2.582 61 HB ILE 8 HB ILE 8 -6.661 -7.628 2.140 62 1HG1 ILE 8 2HG1 ILE 8 -4.850 -6.616 -0.047 63 2HG1 ILE 8 1HG1 ILE 8 -4.572 -8.197 0.677 64 1HG2 ILE 8 1HG2 ILE 8 -6.318 -4.927 2.398 65 2HG2 ILE 8 2HG2 ILE 8 -7.580 -5.659 1.408 66 3HG2 ILE 8 3HG2 ILE 8 -6.068 -5.124 0.663 67 1HD1 ILE 8 1HD1 ILE 8 -7.312 -8.172 0.230 68 2HD1 ILE 8 2HD1 ILE 8 -6.112 -8.984 -0.771 69 3HD1 ILE 8 3HD1 ILE 8 -6.656 -7.361 -1.191 70 H LEU 9 H LEU 9 -3.658 -5.930 4.939 71 HA LEU 9 HA LEU 9 -5.333 -6.723 7.044 72 1HB LEU 9 2HB LEU 9 -3.436 -4.453 6.529 73 2HB LEU 9 1HB LEU 9 -4.328 -4.501 8.051 74 HG LEU 9 HG LEU 9 -3.360 -7.125 7.609 75 1HD1 LEU 9 1HD1 LEU 9 -0.851 -6.477 7.642 76 2HD1 LEU 9 2HD1 LEU 9 -1.382 -4.946 6.947 77 3HD1 LEU 9 3HD1 LEU 9 -1.682 -6.456 6.087 78 1HD2 LEU 9 1HD2 LEU 9 -1.721 -6.007 9.524 79 2HD2 LEU 9 2HD2 LEU 9 -3.336 -6.642 9.831 80 3HD2 LEU 9 3HD2 LEU 9 -3.108 -4.918 9.542 81 H ALA 10 H ALA 10 -5.259 -3.248 6.740 82 HA ALA 10 HA ALA 10 -8.251 -3.240 6.727 83 1HB ALA 10 1HB ALA 10 -8.007 -1.754 8.410 84 2HB ALA 10 2HB ALA 10 -6.931 -0.753 7.435 85 3HB ALA 10 3HB ALA 10 -6.278 -2.099 8.371 86 HA PRO 11 HA PRO 11 -8.253 -1.078 2.897 87 1HB PRO 11 2HB PRO 11 -10.613 0.279 3.134 88 2HB PRO 11 1HB PRO 11 -10.534 -1.473 2.860 89 1HG PRO 11 2HG PRO 11 -11.087 0.027 5.357 90 2HG PRO 11 1HG PRO 11 -11.738 -1.520 4.798 91 1HD PRO 11 2HD PRO 11 -9.748 -1.236 6.692 92 2HD PRO 11 1HD PRO 11 -10.042 -2.705 5.737 93 H VAL 12 H VAL 12 -8.065 1.113 2.010 94 HA VAL 12 HA VAL 12 -7.364 3.160 4.088 95 HB VAL 12 HB VAL 12 -5.416 2.516 2.897 96 1HG1 VAL 12 1HG1 VAL 12 -7.299 2.386 0.568 97 2HG1 VAL 12 2HG1 VAL 12 -6.127 1.190 1.123 98 3HG1 VAL 12 3HG1 VAL 12 -5.578 2.633 0.271 99 1HG2 VAL 12 1HG2 VAL 12 -5.822 4.635 0.977 100 2HG2 VAL 12 2HG2 VAL 12 -4.824 4.641 2.430 101 3HG2 VAL 12 3HG2 VAL 12 -6.526 5.091 2.528 102 H LEU 13 H LEU 13 -9.102 4.564 4.192 103 HA LEU 13 HA LEU 13 -10.515 5.278 1.663 104 1HB LEU 13 2HB LEU 13 -11.141 5.636 4.609 105 2HB LEU 13 1HB LEU 13 -12.190 6.191 3.307 106 HG LEU 13 HG LEU 13 -13.058 4.065 3.898 107 1HD1 LEU 13 1HD1 LEU 13 -12.470 4.457 1.411 108 2HD1 LEU 13 2HD1 LEU 13 -12.813 2.800 1.910 109 3HD1 LEU 13 3HD1 LEU 13 -11.144 3.325 1.681 110 1HD2 LEU 13 1HD2 LEU 13 -10.548 2.534 3.575 111 2HD2 LEU 13 2HD2 LEU 13 -11.826 2.361 4.779 112 3HD2 LEU 13 3HD2 LEU 13 -10.589 3.602 4.978 113 H SER 14 H SER 14 -9.456 6.985 0.697 114 HA SER 14 HA SER 14 -9.253 9.515 2.216 115 1HB SER 14 2HB SER 14 -6.810 8.625 0.733 116 2HB SER 14 1HB SER 14 -6.937 9.650 2.160 117 HG SER 14 HG SER 14 -6.687 6.934 1.949 118 H GLU 15 H GLU 15 -8.844 11.348 0.725 119 HA GLU 15 HA GLU 15 -10.370 11.521 -1.551 120 1HB GLU 15 2HB GLU 15 -8.668 13.289 -2.250 121 2HB GLU 15 1HB GLU 15 -9.265 13.433 -0.596 122 1HG GLU 15 2HG GLU 15 -7.253 12.132 0.169 123 2HG GLU 15 1HG GLU 15 -6.636 12.211 -1.481 124 H LYS 16 H LYS 16 -7.072 10.203 -1.372 125 HA LYS 16 HA LYS 16 -6.859 9.790 -4.245 126 1HB LYS 16 2HB LYS 16 -5.210 9.814 -1.944 127 2HB LYS 16 1HB LYS 16 -5.065 8.200 -2.641 128 1HG LYS 16 2HG LYS 16 -3.632 9.079 -4.141 129 2HG LYS 16 1HG LYS 16 -5.009 9.929 -4.844 130 1HD LYS 16 2HD LYS 16 -4.485 11.567 -2.755 131 2HD LYS 16 1HD LYS 16 -2.861 10.953 -3.068 132 1HE LYS 16 2HE LYS 16 -3.222 12.971 -4.413 133 2HE LYS 16 1HE LYS 16 -3.173 11.567 -5.499 134 1HZ LYS 16 1HZ LYS 16 -5.441 11.560 -5.754 135 2HZ LYS 16 2HZ LYS 16 -5.156 13.231 -5.629 136 3HZ LYS 16 3HZ LYS 16 -5.730 12.361 -4.287 137 H ALA 17 H ALA 17 -7.943 7.917 -1.477 138 HA ALA 17 HA ALA 17 -8.075 5.427 -3.096 139 1HB ALA 17 1HB ALA 17 -7.381 4.762 -1.028 140 2HB ALA 17 2HB ALA 17 -9.088 4.887 -0.599 141 3HB ALA 17 3HB ALA 17 -7.993 6.227 -0.258 142 H TYR 18 H TYR 18 -9.943 8.046 -2.993 143 HA TYR 18 HA TYR 18 -12.497 6.475 -2.925 144 1HB TYR 18 2HB TYR 18 -11.645 9.124 -1.855 145 2HB TYR 18 1HB TYR 18 -13.287 9.020 -2.493 146 HD1 TYR 18 1HD TYR 18 -13.988 6.222 -1.883 147 HD2 TYR 18 2HD TYR 18 -11.921 9.136 0.494 148 HE1 TYR 18 1HE TYR 18 -14.713 5.045 0.177 149 HE2 TYR 18 2HE TYR 18 -12.651 7.969 2.559 150 HH TYR 18 HH TYR 18 -14.604 6.415 3.200 151 H ALA 19 H ALA 19 -10.607 8.974 -4.554 152 HA ALA 19 HA ALA 19 -12.645 9.269 -6.674 153 1HB ALA 19 1HB ALA 19 -9.872 10.458 -6.309 154 2HB ALA 19 2HB ALA 19 -11.370 11.195 -5.743 155 3HB ALA 19 3HB ALA 19 -11.080 11.003 -7.472 156 H GLY 20 H GLY 20 -10.059 7.221 -5.955 157 1HA GLY 20 2HA GLY 20 -9.580 6.581 -8.839 158 2HA GLY 20 1HA GLY 20 -8.433 6.233 -7.543 159 H PHE 21 H PHE 21 -10.478 5.366 -5.680 160 HA PHE 21 HA PHE 21 -10.689 2.586 -6.517 161 1HB PHE 21 2HB PHE 21 -10.892 2.329 -4.256 162 2HB PHE 21 1HB PHE 21 -10.541 4.046 -4.162 163 HD1 PHE 21 1HD PHE 21 -12.849 5.466 -4.925 164 HD2 PHE 21 2HD PHE 21 -12.647 1.695 -2.881 165 HE1 PHE 21 1HE PHE 21 -15.103 5.863 -3.970 166 HE2 PHE 21 2HE PHE 21 -14.900 2.092 -1.924 167 HZ PHE 21 HZ PHE 21 -16.130 4.175 -2.471 168 H ALA 22 H ALA 22 -12.614 5.413 -6.782 169 HA ALA 22 HA ALA 22 -15.242 4.415 -6.764 170 1HB ALA 22 1HB ALA 22 -13.850 6.785 -7.283 171 2HB ALA 22 2HB ALA 22 -15.603 6.596 -7.214 172 3HB ALA 22 3HB ALA 22 -14.762 6.467 -8.760 173 H GLU 23 H GLU 23 -12.697 3.951 -9.047 174 HA GLU 23 HA GLU 23 -14.473 3.252 -11.301 175 1HB GLU 23 2HB GLU 23 -11.902 4.235 -10.974 176 2HB GLU 23 1HB GLU 23 -11.619 2.552 -11.410 177 1HG GLU 23 2HG GLU 23 -13.347 4.506 -12.956 178 2HG GLU 23 1HG GLU 23 -11.737 3.960 -13.429 179 H GLY 24 H GLY 24 -14.155 1.708 -8.580 180 1HA GLY 24 2HA GLY 24 -14.700 -0.589 -8.201 181 2HA GLY 24 1HA GLY 24 -14.109 -0.948 -9.818 182 H LYS 25 H LYS 25 -11.917 1.125 -8.559 183 HA LYS 25 HA LYS 25 -9.942 -0.981 -8.066 184 1HB LYS 25 2HB LYS 25 -10.032 2.042 -8.171 185 2HB LYS 25 1HB LYS 25 -8.558 1.199 -7.705 186 1HG LYS 25 2HG LYS 25 -8.393 0.113 -9.817 187 2HG LYS 25 1HG LYS 25 -10.051 0.529 -10.243 188 1HD LYS 25 2HD LYS 25 -9.371 2.958 -10.174 189 2HD LYS 25 1HD LYS 25 -7.701 2.420 -9.992 190 1HE LYS 25 2HE LYS 25 -8.796 0.939 -12.162 191 2HE LYS 25 1HE LYS 25 -9.231 2.641 -12.417 192 1HZ LYS 25 1HZ LYS 25 -6.524 1.880 -11.512 193 2HZ LYS 25 2HZ LYS 25 -7.028 3.318 -12.266 194 3HZ LYS 25 3HZ LYS 25 -6.913 1.879 -13.162 195 H TYR 26 H TYR 26 -9.048 -1.464 -5.990 196 HA TYR 26 HA TYR 26 -10.270 0.018 -3.690 197 1HB TYR 26 2HB TYR 26 -9.901 -2.928 -4.193 198 2HB TYR 26 1HB TYR 26 -10.179 -2.298 -2.572 199 HD1 TYR 26 1HD TYR 26 -12.244 -0.856 -2.162 200 HD2 TYR 26 2HD TYR 26 -11.698 -3.206 -5.716 201 HE1 TYR 26 1HE TYR 26 -14.674 -0.712 -2.631 202 HE2 TYR 26 2HE TYR 26 -14.130 -3.061 -6.184 203 HH TYR 26 HH TYR 26 -16.111 -0.889 -4.945 204 H THR 27 H THR 27 -8.507 1.222 -3.074 205 HA THR 27 HA THR 27 -5.801 0.209 -2.981 206 HB THR 27 HB THR 27 -6.926 2.595 -1.513 207 HG1 THR 27 1HG THR 27 -6.642 3.702 -3.513 208 1HG2 THR 27 1HG2 THR 27 -4.465 2.876 -3.048 209 2HG2 THR 27 2HG2 THR 27 -4.362 1.570 -1.867 210 3HG2 THR 27 3HG2 THR 27 -4.764 3.206 -1.340 211 H PHE 28 H PHE 28 -4.886 -0.892 -1.261 212 HA PHE 28 HA PHE 28 -6.352 -0.835 1.353 213 1HB PHE 28 2HB PHE 28 -5.826 -3.026 -0.548 214 2HB PHE 28 1HB PHE 28 -5.442 -3.412 1.131 215 HD1 PHE 28 1HD PHE 28 -8.096 -2.554 -1.243 216 HD2 PHE 28 2HD PHE 28 -7.158 -3.352 2.867 217 HE1 PHE 28 1HE PHE 28 -10.513 -2.806 -0.749 218 HE2 PHE 28 2HE PHE 28 -9.581 -3.605 3.370 219 HZ PHE 28 HZ PHE 28 -11.254 -3.329 1.557 220 H TRP 29 H TRP 29 -5.013 -1.670 3.149 221 HA TRP 29 HA TRP 29 -2.130 -0.981 2.805 222 1HB TRP 29 2HB TRP 29 -4.105 -1.090 5.099 223 2HB TRP 29 1HB TRP 29 -2.370 -1.073 5.411 224 HD1 TRP 29 HD TRP 29 -5.211 1.180 4.826 225 HE1 TRP 29 1HE TRP 29 -4.399 3.586 4.379 226 HE3 TRP 29 3HE TRP 29 -0.242 0.305 4.063 227 HZ2 TRP 29 2HZ TRP 29 -1.961 4.958 3.778 228 HZ3 TRP 29 3HZ TRP 29 1.303 2.176 3.558 229 HH2 TRP 29 HH TRP 29 0.450 4.499 3.414 230 H VAL 30 H VAL 30 -0.829 -2.805 2.616 231 HA VAL 30 HA VAL 30 -1.785 -5.271 3.982 232 HB VAL 30 HB VAL 30 -2.625 -5.298 1.770 233 1HG1 VAL 30 1HG1 VAL 30 -0.425 -5.180 0.046 234 2HG1 VAL 30 2HG1 VAL 30 -0.166 -3.870 1.201 235 3HG1 VAL 30 3HG1 VAL 30 -1.657 -3.936 0.260 236 1HG2 VAL 30 1HG2 VAL 30 -2.012 -7.381 1.431 237 2HG2 VAL 30 2HG2 VAL 30 -0.747 -7.159 2.635 238 3HG2 VAL 30 3HG2 VAL 30 -0.399 -6.878 0.934 239 H HIS 31 H HIS 31 -0.171 -6.833 4.323 240 HA HIS 31 HA HIS 31 2.378 -5.850 5.170 241 1HB HIS 31 2HB HIS 31 0.823 -8.057 5.564 242 2HB HIS 31 1HB HIS 31 2.090 -8.728 4.536 243 HD1 HIS 31 1HD HIS 31 2.029 -6.329 7.519 244 HD2 HIS 31 2HD HIS 31 4.173 -9.610 6.099 245 HE1 HIS 31 1HE HIS 31 3.828 -6.806 9.237 246 HA PRO 32 HA PRO 32 4.729 -6.040 1.457 247 1HB PRO 32 2HB PRO 32 7.219 -6.379 2.528 248 2HB PRO 32 1HB PRO 32 6.335 -4.846 2.598 249 1HG PRO 32 2HG PRO 32 6.695 -6.908 4.703 250 2HG PRO 32 1HG PRO 32 6.666 -5.144 4.844 251 1HD PRO 32 2HD PRO 32 4.554 -6.765 5.481 252 2HD PRO 32 1HD PRO 32 4.389 -5.066 4.986 253 H LYS 33 H LYS 33 3.577 -8.250 1.200 254 HA LYS 33 HA LYS 33 5.469 -10.266 0.454 255 1HB LYS 33 2HB LYS 33 4.646 -11.884 2.336 256 2HB LYS 33 1HB LYS 33 5.866 -10.680 2.747 257 1HG LYS 33 2HG LYS 33 4.486 -9.713 4.234 258 2HG LYS 33 1HG LYS 33 3.223 -9.537 3.027 259 1HD LYS 33 2HD LYS 33 3.784 -11.983 4.735 260 2HD LYS 33 1HD LYS 33 2.382 -10.920 4.848 261 1HE LYS 33 2HE LYS 33 1.867 -11.555 2.420 262 2HE LYS 33 1HE LYS 33 3.077 -12.838 2.608 263 1HZ LYS 33 1HZ LYS 33 1.352 -13.968 3.483 264 2HZ LYS 33 2HZ LYS 33 0.466 -12.566 3.848 265 3HZ LYS 33 3HZ LYS 33 1.710 -13.082 4.884 266 H ALA 34 H ALA 34 2.190 -9.449 1.469 267 HA ALA 34 HA ALA 34 0.659 -11.592 0.584 268 1HB ALA 34 1HB ALA 34 -0.898 -10.054 1.102 269 2HB ALA 34 2HB ALA 34 -0.488 -9.119 -0.334 270 3HB ALA 34 3HB ALA 34 0.365 -8.829 1.183 271 H THR 35 H THR 35 1.711 -12.573 -1.298 272 HA THR 35 HA THR 35 2.626 -11.479 -3.649 273 HB THR 35 HB THR 35 1.117 -13.617 -4.531 274 HG1 THR 35 1HG THR 35 1.324 -15.049 -2.650 275 1HG2 THR 35 1HG2 THR 35 3.135 -14.925 -4.143 276 2HG2 THR 35 2HG2 THR 35 3.694 -13.757 -2.944 277 3HG2 THR 35 3HG2 THR 35 3.587 -13.295 -4.642 278 H LYS 36 H LYS 36 1.729 -10.528 -5.501 279 HA LYS 36 HA LYS 36 -0.551 -8.962 -5.449 280 1HB LYS 36 2HB LYS 36 1.351 -9.427 -7.236 281 2HB LYS 36 1HB LYS 36 0.129 -10.480 -7.950 282 1HG LYS 36 2HG LYS 36 -0.983 -8.712 -8.788 283 2HG LYS 36 1HG LYS 36 -1.059 -7.955 -7.198 284 1HD LYS 36 2HD LYS 36 1.523 -7.476 -7.742 285 2HD LYS 36 1HD LYS 36 0.914 -7.552 -9.395 286 1HE LYS 36 2HE LYS 36 -0.859 -5.989 -7.674 287 2HE LYS 36 1HE LYS 36 0.784 -5.318 -7.731 288 1HZ LYS 36 1HZ LYS 36 -1.101 -5.795 -9.933 289 2HZ LYS 36 2HZ LYS 36 0.565 -5.920 -10.245 290 3HZ LYS 36 3HZ LYS 36 -0.086 -4.464 -9.658 291 H THR 37 H THR 37 -0.364 -12.390 -6.425 292 HA THR 37 HA THR 37 -3.174 -12.648 -7.030 293 HB THR 37 HB THR 37 -0.923 -14.518 -6.441 294 HG1 THR 37 1HG THR 37 -1.053 -13.311 -8.435 295 1HG2 THR 37 1HG2 THR 37 -2.315 -16.390 -6.983 296 2HG2 THR 37 2HG2 THR 37 -3.651 -15.331 -7.436 297 3HG2 THR 37 3HG2 THR 37 -3.168 -15.469 -5.746 298 H GLU 38 H GLU 38 -1.249 -12.868 -4.112 299 HA GLU 38 HA GLU 38 -3.131 -14.321 -2.489 300 1HB GLU 38 2HB GLU 38 -0.599 -12.952 -2.276 301 2HB GLU 38 1HB GLU 38 -1.629 -12.484 -0.922 302 1HG GLU 38 2HG GLU 38 -2.105 -15.161 -0.991 303 2HG GLU 38 1HG GLU 38 -0.436 -15.119 -1.561 304 H ILE 39 H ILE 39 -2.527 -10.829 -2.952 305 HA ILE 39 HA ILE 39 -4.516 -9.831 -1.185 306 HB ILE 39 HB ILE 39 -3.288 -8.869 -3.782 307 1HG1 ILE 39 2HG1 ILE 39 -2.916 -7.588 -1.103 308 2HG1 ILE 39 1HG1 ILE 39 -2.117 -9.132 -1.400 309 1HG2 ILE 39 1HG2 ILE 39 -4.321 -6.751 -3.526 310 2HG2 ILE 39 2HG2 ILE 39 -4.869 -7.125 -1.894 311 3HG2 ILE 39 3HG2 ILE 39 -5.631 -7.906 -3.279 312 1HD1 ILE 39 1HD1 ILE 39 -1.366 -6.515 -2.337 313 2HD1 ILE 39 2HD1 ILE 39 -1.713 -7.554 -3.720 314 3HD1 ILE 39 3HD1 ILE 39 -0.506 -8.043 -2.531 315 H LYS 40 H LYS 40 -4.691 -11.171 -4.419 316 HA LYS 40 HA LYS 40 -7.321 -10.337 -5.168 317 1HB LYS 40 2HB LYS 40 -5.497 -11.397 -6.569 318 2HB LYS 40 1HB LYS 40 -5.863 -12.926 -5.778 319 1HG LYS 40 2HG LYS 40 -8.345 -12.285 -6.520 320 2HG LYS 40 1HG LYS 40 -7.466 -11.414 -7.778 321 1HD LYS 40 2HD LYS 40 -6.146 -13.838 -7.693 322 2HD LYS 40 1HD LYS 40 -7.824 -14.305 -7.412 323 1HE LYS 40 2HE LYS 40 -8.499 -13.646 -9.517 324 2HE LYS 40 1HE LYS 40 -7.321 -12.320 -9.590 325 1HZ LYS 40 1HZ LYS 40 -5.551 -14.016 -9.694 326 2HZ LYS 40 2HZ LYS 40 -6.592 -14.076 -11.035 327 3HZ LYS 40 3HZ LYS 40 -6.735 -15.227 -9.793 328 H ASN 41 H ASN 41 -6.159 -13.298 -3.571 329 HA ASN 41 HA ASN 41 -8.781 -14.454 -3.216 330 1HB ASN 41 2HB ASN 41 -5.962 -14.952 -2.380 331 2HB ASN 41 1HB ASN 41 -7.233 -15.780 -1.479 332 1HD2 ASN 41 1HD2 ASN 41 -5.193 -16.733 -3.629 333 2HD2 ASN 41 2HD2 ASN 41 -6.159 -17.577 -4.739 334 H ALA 42 H ALA 42 -6.686 -12.460 -1.099 335 HA ALA 42 HA ALA 42 -8.067 -12.904 1.336 336 1HB ALA 42 1HB ALA 42 -6.607 -10.508 0.201 337 2HB ALA 42 2HB ALA 42 -5.959 -11.742 1.284 338 3HB ALA 42 3HB ALA 42 -7.158 -10.584 1.877 339 H VAL 43 H VAL 43 -8.623 -10.249 -1.029 340 HA VAL 43 HA VAL 43 -10.978 -9.274 0.326 341 HB VAL 43 HB VAL 43 -11.333 -8.204 -2.017 342 1HG1 VAL 43 1HG1 VAL 43 -9.456 -7.717 0.115 343 2HG1 VAL 43 2HG1 VAL 43 -10.339 -6.552 -0.871 344 3HG1 VAL 43 3HG1 VAL 43 -8.778 -7.167 -1.417 345 1HG2 VAL 43 1HG2 VAL 43 -9.438 -10.141 -2.713 346 2HG2 VAL 43 2HG2 VAL 43 -8.532 -8.630 -2.679 347 3HG2 VAL 43 3HG2 VAL 43 -9.957 -8.780 -3.706 348 H GLU 44 H GLU 44 -10.499 -11.612 -2.315 349 HA GLU 44 HA GLU 44 -13.268 -11.904 -3.020 350 1HB GLU 44 2HB GLU 44 -10.710 -12.987 -3.680 351 2HB GLU 44 1HB GLU 44 -11.784 -14.343 -3.335 352 1HG GLU 44 2HG GLU 44 -12.539 -12.058 -5.173 353 2HG GLU 44 1HG GLU 44 -11.816 -13.561 -5.746 354 H THR 45 H THR 45 -11.185 -13.598 -0.679 355 HA THR 45 HA THR 45 -13.317 -15.379 0.214 356 HB THR 45 HB THR 45 -10.510 -15.157 0.339 357 HG1 THR 45 1HG THR 45 -10.702 -17.272 0.839 358 1HG2 THR 45 1HG2 THR 45 -11.020 -14.039 2.569 359 2HG2 THR 45 2HG2 THR 45 -9.954 -15.443 2.638 360 3HG2 THR 45 3HG2 THR 45 -11.655 -15.596 3.086 361 H ALA 46 H ALA 46 -12.441 -12.142 0.864 362 HA ALA 46 HA ALA 46 -13.847 -12.196 3.511 363 1HB ALA 46 1HB ALA 46 -12.329 -9.821 2.548 364 2HB ALA 46 2HB ALA 46 -11.389 -11.273 2.891 365 3HB ALA 46 3HB ALA 46 -12.377 -10.544 4.156 366 H PHE 47 H PHE 47 -13.420 -9.930 0.758 367 HA PHE 47 HA PHE 47 -15.867 -8.504 1.335 368 1HB PHE 47 2HB PHE 47 -13.859 -8.634 -0.903 369 2HB PHE 47 1HB PHE 47 -15.311 -7.643 -1.063 370 HD1 PHE 47 1HD PHE 47 -12.077 -7.134 -0.514 371 HD2 PHE 47 2HD PHE 47 -15.757 -6.675 1.657 372 HE1 PHE 47 1HE PHE 47 -11.034 -5.371 0.890 373 HE2 PHE 47 2HE PHE 47 -14.712 -4.918 3.058 374 HZ PHE 47 HZ PHE 47 -12.355 -4.269 2.679 375 H LYS 48 H LYS 48 -15.136 -11.383 -0.462 376 HA LYS 48 HA LYS 48 -16.553 -12.875 -1.611 377 1HB LYS 48 2HB LYS 48 -18.084 -11.450 0.361 378 2HB LYS 48 1HB LYS 48 -19.092 -11.706 -1.063 379 1HG LYS 48 2HG LYS 48 -18.490 -14.117 -1.031 380 2HG LYS 48 1HG LYS 48 -17.556 -13.844 0.441 381 1HD LYS 48 2HD LYS 48 -19.494 -13.292 1.699 382 2HD LYS 48 1HD LYS 48 -20.475 -13.092 0.247 383 1HE LYS 48 2HE LYS 48 -20.368 -15.489 -0.214 384 2HE LYS 48 1HE LYS 48 -19.270 -15.730 1.159 385 1HZ LYS 48 1HZ LYS 48 -21.655 -16.129 1.697 386 2HZ LYS 48 2HZ LYS 48 -21.955 -14.485 1.391 387 3HZ LYS 48 3HZ LYS 48 -20.922 -14.941 2.659 388 H VAL 49 H VAL 49 -15.474 -10.713 -3.049 389 HA VAL 49 HA VAL 49 -17.701 -10.009 -4.916 390 HB VAL 49 HB VAL 49 -16.112 -8.362 -3.431 391 1HG1 VAL 49 1HG1 VAL 49 -14.857 -8.026 -6.114 392 2HG1 VAL 49 2HG1 VAL 49 -14.202 -9.270 -5.050 393 3HG1 VAL 49 3HG1 VAL 49 -14.239 -7.589 -4.521 394 1HG2 VAL 49 1HG2 VAL 49 -18.145 -7.879 -4.833 395 2HG2 VAL 49 2HG2 VAL 49 -17.059 -7.674 -6.206 396 3HG2 VAL 49 3HG2 VAL 49 -16.932 -6.601 -4.812 397 H LYS 50 H LYS 50 -16.047 -9.139 -7.009 398 HA LYS 50 HA LYS 50 -14.674 -11.687 -7.800 399 1HB LYS 50 2HB LYS 50 -16.889 -10.725 -8.918 400 2HB LYS 50 1HB LYS 50 -15.741 -9.692 -9.775 401 1HG LYS 50 2HG LYS 50 -15.107 -12.603 -9.610 402 2HG LYS 50 1HG LYS 50 -16.408 -12.115 -10.699 403 1HD LYS 50 2HD LYS 50 -14.323 -10.255 -11.103 404 2HD LYS 50 1HD LYS 50 -13.554 -11.840 -11.050 405 1HE LYS 50 2HE LYS 50 -15.866 -12.255 -12.580 406 2HE LYS 50 1HE LYS 50 -15.222 -10.698 -13.143 407 1HZ LYS 50 1HZ LYS 50 -14.231 -12.865 -14.104 408 2HZ LYS 50 2HZ LYS 50 -13.403 -12.959 -12.622 409 3HZ LYS 50 3HZ LYS 50 -13.178 -11.619 -13.642 410 H VAL 51 H VAL 51 -12.489 -11.269 -7.575 411 HA VAL 51 HA VAL 51 -11.391 -8.587 -7.919 412 HB VAL 51 HB VAL 51 -10.085 -11.319 -7.690 413 1HG1 VAL 51 1HG1 VAL 51 -8.443 -9.781 -8.472 414 2HG1 VAL 51 2HG1 VAL 51 -8.213 -9.837 -6.724 415 3HG1 VAL 51 3HG1 VAL 51 -9.067 -8.481 -7.458 416 1HG2 VAL 51 1HG2 VAL 51 -9.849 -9.870 -5.292 417 2HG2 VAL 51 2HG2 VAL 51 -10.884 -11.269 -5.575 418 3HG2 VAL 51 3HG2 VAL 51 -11.523 -9.640 -5.798 419 H VAL 52 H VAL 52 -10.941 -7.725 -9.872 420 HA VAL 52 HA VAL 52 -10.549 -9.553 -12.194 421 HB VAL 52 HB VAL 52 -11.760 -6.869 -11.756 422 1HG1 VAL 52 1HG1 VAL 52 -10.867 -8.122 -14.334 423 2HG1 VAL 52 2HG1 VAL 52 -10.591 -6.477 -13.762 424 3HG1 VAL 52 3HG1 VAL 52 -12.207 -6.973 -14.280 425 1HG2 VAL 52 1HG2 VAL 52 -13.267 -8.651 -11.364 426 2HG2 VAL 52 2HG2 VAL 52 -12.688 -9.544 -12.770 427 3HG2 VAL 52 3HG2 VAL 52 -13.644 -8.078 -12.989 428 H LYS 53 H LYS 53 -9.006 -7.253 -10.212 429 HA LYS 53 HA LYS 53 -6.509 -7.418 -11.635 430 1HB LYS 53 2HB LYS 53 -8.470 -5.496 -12.527 431 2HB LYS 53 1HB LYS 53 -7.048 -4.654 -11.909 432 1HG LYS 53 2HG LYS 53 -6.111 -6.866 -13.427 433 2HG LYS 53 1HG LYS 53 -7.344 -6.056 -14.396 434 1HD LYS 53 2HD LYS 53 -5.498 -4.216 -13.025 435 2HD LYS 53 1HD LYS 53 -4.725 -5.249 -14.227 436 1HE LYS 53 2HE LYS 53 -7.099 -4.423 -15.466 437 2HE LYS 53 1HE LYS 53 -6.487 -2.969 -14.650 438 1HZ LYS 53 1HZ LYS 53 -5.438 -3.235 -16.813 439 2HZ LYS 53 2HZ LYS 53 -4.898 -4.788 -16.385 440 3HZ LYS 53 3HZ LYS 53 -4.294 -3.422 -15.575 441 H VAL 54 H VAL 54 -5.160 -7.314 -9.892 442 HA VAL 54 HA VAL 54 -5.791 -5.325 -7.741 443 HB VAL 54 HB VAL 54 -5.065 -8.170 -7.781 444 1HG1 VAL 54 1HG1 VAL 54 -3.545 -6.279 -5.956 445 2HG1 VAL 54 2HG1 VAL 54 -2.853 -7.420 -7.111 446 3HG1 VAL 54 3HG1 VAL 54 -3.687 -8.015 -5.675 447 1HG2 VAL 54 1HG2 VAL 54 -5.838 -6.638 -5.334 448 2HG2 VAL 54 2HG2 VAL 54 -6.411 -8.209 -5.901 449 3HG2 VAL 54 3HG2 VAL 54 -6.999 -6.729 -6.660 450 H ASN 55 H ASN 55 -4.341 -3.684 -7.579 451 HA ASN 55 HA ASN 55 -1.550 -4.173 -8.542 452 1HB ASN 55 2HB ASN 55 -3.228 -2.730 -9.949 453 2HB ASN 55 1HB ASN 55 -2.953 -1.511 -8.705 454 1HD2 ASN 55 1HD2 ASN 55 -2.051 -1.628 -11.633 455 2HD2 ASN 55 2HD2 ASN 55 -0.372 -1.388 -11.563 456 H THR 56 H THR 56 -0.251 -4.082 -6.774 457 HA THR 56 HA THR 56 -0.975 -2.136 -4.625 458 HB THR 56 HB THR 56 -0.887 -3.955 -3.272 459 HG1 THR 56 1HG THR 56 1.795 -4.149 -4.163 460 1HG2 THR 56 1HG2 THR 56 -0.155 -6.195 -4.112 461 2HG2 THR 56 2HG2 THR 56 0.301 -5.434 -5.634 462 3HG2 THR 56 3HG2 THR 56 -1.388 -5.435 -5.119 463 H LEU 57 H LEU 57 0.792 -0.983 -3.637 464 HA LEU 57 HA LEU 57 3.394 -1.080 -5.108 465 1HB LEU 57 2HB LEU 57 3.206 1.507 -5.005 466 2HB LEU 57 1HB LEU 57 2.220 0.667 -6.201 467 HG LEU 57 HG LEU 57 0.956 0.955 -3.548 468 1HD1 LEU 57 1HD1 LEU 57 0.385 3.417 -4.685 469 2HD1 LEU 57 2HD1 LEU 57 2.122 3.256 -4.941 470 3HD1 LEU 57 3HD1 LEU 57 1.459 3.151 -3.311 471 1HD2 LEU 57 1HD2 LEU 57 -0.176 1.911 -6.153 472 2HD2 LEU 57 2HD2 LEU 57 -0.980 1.071 -4.826 473 3HD2 LEU 57 3HD2 LEU 57 0.067 0.178 -5.929 474 H HIS 58 H HIS 58 5.074 0.267 -3.874 475 HA HIS 58 HA HIS 58 4.841 -0.348 -0.993 476 1HB HIS 58 2HB HIS 58 6.859 -0.303 -2.952 477 2HB HIS 58 1HB HIS 58 7.254 1.023 -1.857 478 HD1 HIS 58 1HD HIS 58 9.096 -1.383 -1.792 479 HD2 HIS 58 2HD HIS 58 5.702 -1.102 0.616 480 HE1 HIS 58 1HE HIS 58 9.472 -2.948 0.163 481 H VAL 59 H VAL 59 4.238 1.134 0.458 482 HA VAL 59 HA VAL 59 4.441 4.039 -0.262 483 HB VAL 59 HB VAL 59 2.456 4.097 1.428 484 1HG1 VAL 59 1HG1 VAL 59 1.401 4.506 -0.513 485 2HG1 VAL 59 2HG1 VAL 59 1.218 2.768 -0.749 486 3HG1 VAL 59 3HG1 VAL 59 2.632 3.601 -1.395 487 1HG2 VAL 59 1HG2 VAL 59 2.825 1.740 2.191 488 2HG2 VAL 59 2HG2 VAL 59 2.356 1.189 0.582 489 3HG2 VAL 59 3HG2 VAL 59 1.188 2.028 1.602 490 H ARG 60 H ARG 60 5.929 5.055 1.018 491 HA ARG 60 HA ARG 60 6.212 4.147 3.861 492 1HB ARG 60 2HB ARG 60 8.360 4.833 1.827 493 2HB ARG 60 1HB ARG 60 8.672 4.527 3.536 494 1HG ARG 60 2HG ARG 60 9.062 2.438 2.493 495 2HG ARG 60 1HG ARG 60 7.439 2.289 3.170 496 1HD ARG 60 2HD ARG 60 6.585 1.923 1.106 497 2HD ARG 60 1HD ARG 60 7.284 3.446 0.521 498 HE ARG 60 HE ARG 60 8.423 0.824 0.100 499 1HH1 ARG 60 1HH2 ARG 60 8.868 3.522 -1.375 500 2HH1 ARG 60 2HH2 ARG 60 10.570 3.728 -1.124 501 1HH2 ARG 60 1HH1 ARG 60 10.759 1.332 1.375 502 2HH2 ARG 60 2HH1 ARG 60 11.641 2.487 0.432 503 H GLY 61 H GLY 61 5.638 5.873 5.121 504 1HA GLY 61 2HA GLY 61 5.901 8.072 6.007 505 2HA GLY 61 1HA GLY 61 6.802 8.520 4.557 506 H LYS 62 H LYS 62 4.167 9.447 6.073 507 HA LYS 62 HA LYS 62 2.301 9.425 3.758 508 1HB LYS 62 2HB LYS 62 2.143 10.223 6.675 509 2HB LYS 62 1HB LYS 62 0.819 10.511 5.546 510 1HG LYS 62 2HG LYS 62 0.889 8.049 4.974 511 2HG LYS 62 1HG LYS 62 2.027 7.840 6.306 512 1HD LYS 62 2HD LYS 62 -0.699 9.116 6.642 513 2HD LYS 62 1HD LYS 62 -0.396 7.398 6.905 514 1HE LYS 62 2HE LYS 62 1.636 8.610 8.362 515 2HE LYS 62 1HE LYS 62 0.239 9.669 8.644 516 1HZ LYS 62 1HZ LYS 62 0.258 7.775 10.178 517 2HZ LYS 62 2HZ LYS 62 0.214 6.703 8.860 518 3HZ LYS 62 3HZ LYS 62 -1.099 7.738 9.161 519 H LYS 63 H LYS 63 3.308 11.933 6.121 520 HA LYS 63 HA LYS 63 2.757 14.087 4.238 521 1HB LYS 63 2HB LYS 63 3.826 13.738 7.017 522 2HB LYS 63 1HB LYS 63 4.074 15.289 6.214 523 1HG LYS 63 2HG LYS 63 1.343 14.208 5.945 524 2HG LYS 63 1HG LYS 63 1.805 14.614 7.599 525 1HD LYS 63 2HD LYS 63 2.737 16.700 5.877 526 2HD LYS 63 1HD LYS 63 1.039 16.396 5.507 527 1HE LYS 63 2HE LYS 63 0.995 16.315 8.247 528 2HE LYS 63 1HE LYS 63 2.242 17.543 7.948 529 1HZ LYS 63 1HZ LYS 63 -0.546 17.482 6.959 530 2HZ LYS 63 2HZ LYS 63 0.644 18.428 6.201 531 3HZ LYS 63 3HZ LYS 63 0.235 18.714 7.826 532 H LYS 64 H LYS 64 4.456 12.617 2.775 533 HA LYS 64 HA LYS 64 6.532 12.657 1.646 534 1HB LYS 64 2HB LYS 64 5.814 14.972 1.325 535 2HB LYS 64 1HB LYS 64 6.440 15.413 2.913 536 1HG LYS 64 2HG LYS 64 8.320 15.989 1.770 537 2HG LYS 64 1HG LYS 64 8.643 14.254 1.768 538 1HD LYS 64 2HD LYS 64 8.599 14.337 -0.484 539 2HD LYS 64 1HD LYS 64 6.869 14.659 -0.368 540 1HE LYS 64 2HE LYS 64 9.091 16.733 -0.441 541 2HE LYS 64 1HE LYS 64 7.855 16.449 -1.683 542 1HZ LYS 64 1HZ LYS 64 6.780 18.041 -0.494 543 2HZ LYS 64 2HZ LYS 64 7.591 17.680 0.955 544 3HZ LYS 64 3HZ LYS 64 6.305 16.702 0.430 545 H ARG 65 H ARG 65 7.979 11.244 2.598 546 HA ARG 65 HA ARG 65 8.926 11.279 5.261 547 1HB ARG 65 2HB ARG 65 10.602 9.739 4.395 548 2HB ARG 65 1HB ARG 65 9.086 9.453 3.539 549 1HG ARG 65 2HG ARG 65 10.080 11.268 1.872 550 2HG ARG 65 1HG ARG 65 11.613 10.712 2.548 551 1HD ARG 65 2HD ARG 65 11.398 8.587 1.643 552 2HD ARG 65 1HD ARG 65 9.625 8.643 1.674 553 HE ARG 65 HE ARG 65 9.729 9.571 -0.488 554 1HH1 ARG 65 1HH1 ARG 65 12.837 9.564 0.899 555 2HH1 ARG 65 2HH1 ARG 65 13.500 10.724 -0.203 556 1HH2 ARG 65 1HH2 ARG 65 10.468 11.380 -1.753 557 2HH2 ARG 65 2HH2 ARG 65 12.159 11.751 -1.704 558 H LEU 66 H LEU 66 11.748 11.278 5.039 559 HA LEU 66 HA LEU 66 13.562 12.780 5.241 560 1HB LEU 66 2HB LEU 66 12.641 12.790 2.707 561 2HB LEU 66 1HB LEU 66 12.355 14.483 3.112 562 HG LEU 66 HG LEU 66 14.727 14.659 3.874 563 1HD1 LEU 66 1HD1 LEU 66 14.677 11.777 3.025 564 2HD1 LEU 66 2HD1 LEU 66 15.413 12.503 4.454 565 3HD1 LEU 66 3HD1 LEU 66 16.172 12.700 2.875 566 1HD2 LEU 66 1HD2 LEU 66 13.827 14.122 1.114 567 2HD2 LEU 66 2HD2 LEU 66 15.568 13.973 1.354 568 3HD2 LEU 66 3HD2 LEU 66 14.750 15.484 1.751 569 H GLY 67 H GLY 67 13.363 13.929 7.161 570 1HA GLY 67 2HA GLY 67 12.509 16.638 7.111 571 2HA GLY 67 1HA GLY 67 11.284 15.650 7.900 572 H ARG 68 H ARG 68 12.156 17.292 9.667 573 HA ARG 68 HA ARG 68 14.683 16.872 10.919 574 1HB ARG 68 2HB ARG 68 13.626 18.059 12.777 575 2HB ARG 68 1HB ARG 68 13.072 18.764 11.257 576 1HG ARG 68 2HG ARG 68 11.401 16.523 12.110 577 2HG ARG 68 1HG ARG 68 11.438 17.823 13.303 578 1HD ARG 68 2HD ARG 68 11.122 18.647 10.451 579 2HD ARG 68 1HD ARG 68 9.727 17.871 11.227 580 HE ARG 68 HE ARG 68 9.469 19.917 12.370 581 1HH1 ARG 68 1HH2 ARG 68 11.802 21.150 10.824 582 2HH1 ARG 68 2HH2 ARG 68 12.821 21.669 12.125 583 1HH2 ARG 68 1HH1 ARG 68 11.208 19.738 14.510 584 2HH2 ARG 68 2HH1 ARG 68 12.485 20.870 14.213 585 H TYR 69 H TYR 69 14.479 16.116 13.437 586 HA TYR 69 HA TYR 69 14.726 14.034 14.596 587 1HB TYR 69 2HB TYR 69 12.931 15.025 15.671 588 2HB TYR 69 1HB TYR 69 11.933 15.013 14.224 589 HD1 TYR 69 1HD TYR 69 13.508 12.715 16.730 590 HD2 TYR 69 2HD TYR 69 10.288 13.348 13.957 591 HE1 TYR 69 1HE TYR 69 12.421 10.628 17.513 592 HE2 TYR 69 2HE TYR 69 9.203 11.262 14.739 593 HH TYR 69 HH TYR 69 9.881 9.773 17.529 594 H LEU 70 H LEU 70 15.565 12.958 12.477 595 HA LEU 70 HA LEU 70 15.440 11.259 10.825 596 1HB LEU 70 2HB LEU 70 14.778 10.428 13.532 597 2HB LEU 70 1HB LEU 70 14.144 9.317 12.316 598 HG LEU 70 HG LEU 70 16.771 10.032 11.503 599 1HD1 LEU 70 1HD1 LEU 70 16.473 10.087 14.364 600 2HD1 LEU 70 2HD1 LEU 70 17.936 10.319 13.406 601 3HD1 LEU 70 3HD1 LEU 70 17.460 8.697 13.910 602 1HD2 LEU 70 1HD2 LEU 70 15.461 7.542 12.611 603 2HD2 LEU 70 2HD2 LEU 70 17.141 7.550 12.073 604 3HD2 LEU 70 3HD2 LEU 70 15.848 7.914 10.931 605 H GLY 71 H GLY 71 13.969 12.021 9.289 606 1HA GLY 71 2HA GLY 71 11.220 12.293 9.360 607 2HA GLY 71 1HA GLY 71 12.060 11.708 7.922 608 H LYS 72 H LYS 72 9.508 10.761 8.482 609 HA LYS 72 HA LYS 72 9.908 8.068 9.709 610 1HB LYS 72 2HB LYS 72 7.504 9.759 8.976 611 2HB LYS 72 1HB LYS 72 7.364 8.104 9.568 612 1HG LYS 72 2HG LYS 72 8.336 8.662 11.669 613 2HG LYS 72 1HG LYS 72 8.913 10.219 11.072 614 1HD LYS 72 2HD LYS 72 6.810 11.194 11.173 615 2HD LYS 72 1HD LYS 72 5.972 9.652 10.989 616 1HE LYS 72 2HE LYS 72 7.512 9.514 13.398 617 2HE LYS 72 1HE LYS 72 6.581 11.025 13.423 618 1HZ LYS 72 1HZ LYS 72 4.602 9.822 12.837 619 2HZ LYS 72 2HZ LYS 72 5.283 9.099 14.216 620 3HZ LYS 72 3HZ LYS 72 5.465 8.370 12.693 621 H ARG 73 H ARG 73 9.893 6.253 8.419 622 HA ARG 73 HA ARG 73 8.540 6.178 5.832 623 1HB ARG 73 2HB ARG 73 11.061 7.341 5.934 624 2HB ARG 73 1HB ARG 73 11.399 5.686 5.424 625 1HG ARG 73 2HG ARG 73 9.210 6.275 3.894 626 2HG ARG 73 1HG ARG 73 10.000 7.847 3.984 627 1HD ARG 73 2HD ARG 73 11.156 5.247 2.941 628 2HD ARG 73 1HD ARG 73 11.001 6.797 2.090 629 HE ARG 73 HE ARG 73 12.585 7.657 3.987 630 1HH1 ARG 73 1HH2 ARG 73 12.539 4.404 4.320 631 2HH1 ARG 73 2HH2 ARG 73 14.201 4.119 3.924 632 1HH2 ARG 73 1HH1 ARG 73 14.748 7.335 2.751 633 2HH2 ARG 73 2HH1 ARG 73 15.451 5.779 3.036 634 HA PRO 74 HA PRO 74 9.346 2.128 7.885 635 1HB PRO 74 2HB PRO 74 6.753 1.291 7.879 636 2HB PRO 74 1HB PRO 74 7.433 2.297 9.172 637 1HG PRO 74 2HG PRO 74 5.693 3.063 6.896 638 2HG PRO 74 1HG PRO 74 5.728 3.688 8.552 639 1HD PRO 74 2HD PRO 74 6.831 4.962 6.368 640 2HD PRO 74 1HD PRO 74 7.318 5.244 8.054 641 H ASP 75 H ASP 75 7.959 -0.038 6.977 642 HA ASP 75 HA ASP 75 8.325 0.063 4.013 643 1HB ASP 75 2HB ASP 75 9.000 -1.897 6.181 644 2HB ASP 75 1HB ASP 75 8.629 -2.524 4.574 645 H ARG 76 H ARG 76 6.096 0.612 3.697 646 HA ARG 76 HA ARG 76 4.200 -1.645 4.260 647 1HB ARG 76 2HB ARG 76 3.748 0.202 5.762 648 2HB ARG 76 1HB ARG 76 3.810 1.358 4.430 649 1HG ARG 76 2HG ARG 76 1.472 0.762 5.113 650 2HG ARG 76 1HG ARG 76 1.823 0.388 3.425 651 1HD ARG 76 2HD ARG 76 1.337 -1.793 3.787 652 2HD ARG 76 1HD ARG 76 2.547 -1.869 5.083 653 HE ARG 76 HE ARG 76 -0.306 -1.067 5.455 654 1HH1 ARG 76 1HH2 ARG 76 2.481 -0.384 7.049 655 2HH1 ARG 76 2HH2 ARG 76 2.104 -1.235 8.510 656 1HH2 ARG 76 1HH1 ARG 76 -0.667 -2.837 7.173 657 2HH2 ARG 76 2HH1 ARG 76 0.321 -2.625 8.580 658 H LYS 77 H LYS 77 2.718 -2.100 2.575 659 HA LYS 77 HA LYS 77 3.153 -0.591 0.020 660 1HB LYS 77 2HB LYS 77 3.226 -2.657 -1.116 661 2HB LYS 77 1HB LYS 77 4.096 -3.000 0.377 662 1HG LYS 77 2HG LYS 77 2.067 -3.964 1.367 663 2HG LYS 77 1HG LYS 77 1.155 -3.569 -0.091 664 1HD LYS 77 2HD LYS 77 3.500 -5.010 -0.872 665 2HD LYS 77 1HD LYS 77 2.707 -5.905 0.425 666 1HE LYS 77 2HE LYS 77 0.973 -6.494 -0.920 667 2HE LYS 77 1HE LYS 77 0.805 -4.843 -1.545 668 1HZ LYS 77 1HZ LYS 77 2.833 -5.222 -2.866 669 2HZ LYS 77 2HZ LYS 77 1.571 -6.269 -3.307 670 3HZ LYS 77 3HZ LYS 77 2.854 -6.838 -2.351 671 H LYS 78 H LYS 78 1.276 -0.072 -1.149 672 HA LYS 78 HA LYS 78 -1.308 -0.559 0.256 673 1HB LYS 78 2HB LYS 78 -0.127 1.482 -1.567 674 2HB LYS 78 1HB LYS 78 -1.866 1.217 -1.699 675 1HG LYS 78 2HG LYS 78 -2.238 1.789 0.574 676 2HG LYS 78 1HG LYS 78 -0.526 1.651 0.971 677 1HD LYS 78 2HD LYS 78 -0.388 3.878 0.638 678 2HD LYS 78 1HD LYS 78 -0.592 3.539 -1.081 679 1HE LYS 78 2HE LYS 78 -2.937 3.934 -0.997 680 2HE LYS 78 1HE LYS 78 -2.967 3.838 0.775 681 1HZ LYS 78 1HZ LYS 78 -1.692 5.806 0.952 682 2HZ LYS 78 2HZ LYS 78 -2.929 6.153 -0.159 683 3HZ LYS 78 3HZ LYS 78 -1.353 5.835 -0.710 684 H ALA 79 H ALA 79 -3.123 -1.458 -0.963 685 HA ALA 79 HA ALA 79 -2.308 -2.821 -3.511 686 1HB ALA 79 1HB ALA 79 -2.918 -3.961 -1.115 687 2HB ALA 79 2HB ALA 79 -3.117 -4.761 -2.679 688 3HB ALA 79 3HB ALA 79 -4.493 -3.952 -1.913 689 H ILE 80 H ILE 80 -3.551 -2.385 -5.252 690 HA ILE 80 HA ILE 80 -6.210 -1.098 -4.790 691 HB ILE 80 HB ILE 80 -4.138 -0.970 -6.982 692 1HG1 ILE 80 2HG1 ILE 80 -4.272 1.426 -6.512 693 2HG1 ILE 80 1HG1 ILE 80 -5.571 1.155 -5.358 694 1HG2 ILE 80 1HG2 ILE 80 -7.065 -0.255 -7.046 695 2HG2 ILE 80 2HG2 ILE 80 -6.121 -1.133 -8.251 696 3HG2 ILE 80 3HG2 ILE 80 -5.900 0.606 -8.054 697 1HD1 ILE 80 1HD1 ILE 80 -3.059 1.376 -4.538 698 2HD1 ILE 80 2HD1 ILE 80 -2.998 -0.329 -4.988 699 3HD1 ILE 80 3HD1 ILE 80 -4.158 0.224 -3.780 700 H VAL 81 H VAL 81 -7.764 -2.655 -4.937 701 HA VAL 81 HA VAL 81 -7.383 -4.910 -6.858 702 HB VAL 81 HB VAL 81 -9.580 -4.573 -4.812 703 1HG1 VAL 81 1HG1 VAL 81 -9.093 -6.503 -6.709 704 2HG1 VAL 81 2HG1 VAL 81 -10.030 -6.750 -5.234 705 3HG1 VAL 81 3HG1 VAL 81 -8.321 -7.185 -5.276 706 1HG2 VAL 81 1HG2 VAL 81 -7.824 -6.099 -3.482 707 2HG2 VAL 81 2HG2 VAL 81 -7.817 -4.341 -3.337 708 3HG2 VAL 81 3HG2 VAL 81 -6.676 -5.143 -4.418 709 H GLN 82 H GLN 82 -8.857 -5.272 -8.542 710 HA GLN 82 HA GLN 82 -10.933 -3.144 -8.956 711 1HB GLN 82 2HB GLN 82 -9.095 -2.882 -10.493 712 2HB GLN 82 1HB GLN 82 -9.085 -4.599 -10.869 713 1HG GLN 82 2HG GLN 82 -10.336 -3.927 -12.661 714 2HG GLN 82 1HG GLN 82 -11.654 -3.987 -11.493 715 1HE2 GLN 82 1HE2 GLN 82 -12.584 -2.237 -13.004 716 2HE2 GLN 82 2HE2 GLN 82 -12.121 -0.629 -12.716 717 H VAL 83 H VAL 83 -12.941 -3.901 -9.756 718 HA VAL 83 HA VAL 83 -13.140 -6.864 -9.946 719 HB VAL 83 HB VAL 83 -15.143 -6.806 -8.679 720 1HG1 VAL 83 1HG1 VAL 83 -12.844 -6.027 -7.554 721 2HG1 VAL 83 2HG1 VAL 83 -14.347 -6.086 -6.634 722 3HG1 VAL 83 3HG1 VAL 83 -13.770 -4.550 -7.280 723 1HG2 VAL 83 1HG2 VAL 83 -15.102 -3.792 -9.055 724 2HG2 VAL 83 2HG2 VAL 83 -16.302 -4.689 -8.121 725 3HG2 VAL 83 3HG2 VAL 83 -16.192 -4.920 -9.869 726 H ALA 84 H ALA 84 -14.833 -7.624 -11.355 727 HA ALA 84 HA ALA 84 -14.953 -6.588 -13.915 728 1HB ALA 84 1HB ALA 84 -17.483 -7.745 -12.991 729 2HB ALA 84 2HB ALA 84 -16.066 -8.653 -12.457 730 3HB ALA 84 3HB ALA 84 -16.333 -8.360 -14.180 731 HA PRO 85 HA PRO 85 -17.713 -3.193 -14.030 732 1HB PRO 85 2HB PRO 85 -19.381 -3.781 -16.119 733 2HB PRO 85 1HB PRO 85 -17.685 -3.341 -16.337 734 1HG PRO 85 2HG PRO 85 -18.955 -5.987 -16.431 735 2HG PRO 85 1HG PRO 85 -17.613 -5.354 -17.379 736 1HD PRO 85 2HD PRO 85 -17.325 -7.069 -15.246 737 2HD PRO 85 1HD PRO 85 -16.062 -5.965 -15.821 738 H GLY 86 H GLY 86 -19.657 -2.512 -13.102 739 1HA GLY 86 2HA GLY 86 -21.903 -2.696 -12.326 740 2HA GLY 86 1HA GLY 86 -21.921 -4.378 -12.858 741 H GLN 87 H GLN 87 -19.176 -4.535 -11.348 742 HA GLN 87 HA GLN 87 -20.407 -5.371 -8.784 743 1HB GLN 87 2HB GLN 87 -17.801 -5.804 -10.236 744 2HB GLN 87 1HB GLN 87 -17.975 -6.266 -8.542 745 1HG GLN 87 2HG GLN 87 -20.049 -7.552 -9.212 746 2HG GLN 87 1HG GLN 87 -19.600 -7.256 -10.892 747 1HE2 GLN 87 1HE2 GLN 87 -18.754 -9.222 -11.635 748 2HE2 GLN 87 2HE2 GLN 87 -17.565 -10.125 -10.828 749 H LYS 88 H LYS 88 -19.198 -4.837 -6.753 750 HA LYS 88 HA LYS 88 -17.273 -2.723 -6.584 751 1HB LYS 88 2HB LYS 88 -18.898 -0.935 -5.827 752 2HB LYS 88 1HB LYS 88 -19.036 -1.361 -7.533 753 1HG LYS 88 2HG LYS 88 -20.778 -3.142 -6.525 754 2HG LYS 88 1HG LYS 88 -20.919 -1.894 -5.286 755 1HD LYS 88 2HD LYS 88 -21.086 -1.249 -8.234 756 2HD LYS 88 1HD LYS 88 -22.508 -1.695 -7.291 757 1HE LYS 88 2HE LYS 88 -22.277 0.207 -5.854 758 2HE LYS 88 1HE LYS 88 -20.643 0.548 -6.458 759 1HZ LYS 88 1HZ LYS 88 -23.221 0.811 -7.882 760 2HZ LYS 88 2HZ LYS 88 -21.760 0.649 -8.735 761 3HZ LYS 88 3HZ LYS 88 -21.998 1.970 -7.692 762 H ILE 89 H ILE 89 -16.403 -3.827 -4.810 763 HA ILE 89 HA ILE 89 -17.588 -5.226 -2.752 764 HB ILE 89 HB ILE 89 -15.320 -3.210 -2.662 765 1HG1 ILE 89 2HG1 ILE 89 -15.388 -6.226 -3.018 766 2HG1 ILE 89 1HG1 ILE 89 -15.019 -5.049 -4.278 767 1HG2 ILE 89 1HG2 ILE 89 -16.589 -4.609 -0.521 768 2HG2 ILE 89 2HG2 ILE 89 -15.130 -3.620 -0.461 769 3HG2 ILE 89 3HG2 ILE 89 -15.011 -5.348 -0.790 770 1HD1 ILE 89 1HD1 ILE 89 -13.428 -4.964 -1.744 771 2HD1 ILE 89 2HD1 ILE 89 -12.943 -4.535 -3.385 772 3HD1 ILE 89 3HD1 ILE 89 -13.070 -6.231 -2.917 773 H GLU 90 H GLU 90 -19.613 -4.443 -2.025 774 HA GLU 90 HA GLU 90 -20.336 -1.790 -1.416 775 1HB GLU 90 2HB GLU 90 -21.909 -3.021 0.230 776 2HB GLU 90 1HB GLU 90 -21.996 -3.491 -1.467 777 1HG GLU 90 2HG GLU 90 -21.279 -5.584 -1.017 778 2HG GLU 90 1HG GLU 90 -19.949 -4.989 -0.023 779 H ALA 91 H ALA 91 -18.383 -4.062 0.424 780 HA ALA 91 HA ALA 91 -18.464 -2.906 3.004 781 1HB ALA 91 1HB ALA 91 -17.242 -4.995 1.858 782 2HB ALA 91 2HB ALA 91 -16.664 -4.310 3.378 783 3HB ALA 91 3HB ALA 91 -15.884 -3.870 1.857 784 H LEU 92 H LEU 92 -16.984 -1.741 0.074 785 HA LEU 92 HA LEU 92 -15.567 0.350 1.660 786 1HB LEU 92 2HB LEU 92 -14.890 -1.299 -0.545 787 2HB LEU 92 1HB LEU 92 -14.927 0.375 -1.126 788 HG LEU 92 HG LEU 92 -13.794 0.054 1.534 789 1HD1 LEU 92 1HD1 LEU 92 -12.949 -1.763 -0.513 790 2HD1 LEU 92 2HD1 LEU 92 -12.275 -1.560 1.104 791 3HD1 LEU 92 3HD1 LEU 92 -11.651 -0.601 -0.239 792 1HD2 LEU 92 1HD2 LEU 92 -12.067 1.562 0.512 793 2HD2 LEU 92 2HD2 LEU 92 -13.717 2.165 0.355 794 3HD2 LEU 92 3HD2 LEU 92 -12.917 1.413 -1.026 795 H GLU 93 H GLU 93 -18.140 -0.105 -0.656 796 HA GLU 93 HA GLU 93 -18.111 2.721 -1.372 797 1HB GLU 93 2HB GLU 93 -19.977 0.395 -1.927 798 2HB GLU 93 1HB GLU 93 -20.230 2.007 -2.598 799 1HG GLU 93 2HG GLU 93 -17.534 0.754 -2.923 800 2HG GLU 93 1HG GLU 93 -18.850 0.170 -3.941 801 H GLY 94 H GLY 94 -18.997 1.163 1.377 802 1HA GLY 94 2HA GLY 94 -21.303 2.998 1.893 803 2HA GLY 94 1HA GLY 94 -21.082 1.449 2.710 804 H LEU 95 H LEU 95 -18.065 2.212 2.694 805 HA LEU 95 HA LEU 95 -17.870 3.084 5.397 806 1HB LEU 95 2HB LEU 95 -16.199 2.402 3.150 807 2HB LEU 95 1HB LEU 95 -15.549 3.840 3.936 808 HG LEU 95 HG LEU 95 -15.365 2.734 6.038 809 1HD1 LEU 95 1HD1 LEU 95 -17.186 1.439 6.509 810 2HD1 LEU 95 2HD1 LEU 95 -16.192 0.141 5.850 811 3HD1 LEU 95 3HD1 LEU 95 -17.388 0.940 4.830 812 1HD2 LEU 95 1HD2 LEU 95 -13.655 2.090 4.337 813 2HD2 LEU 95 2HD2 LEU 95 -14.645 0.696 3.906 814 3HD2 LEU 95 3HD2 LEU 95 -13.939 0.812 5.519 815 H ILE 96 H ILE 96 -18.178 4.873 2.391 816 HA ILE 96 HA ILE 96 -17.211 7.422 3.202 817 HB ILE 96 HB ILE 96 -19.517 6.692 1.367 818 1HG1 ILE 96 2HG1 ILE 96 -16.779 7.249 0.341 819 2HG1 ILE 96 1HG1 ILE 96 -17.010 5.705 1.164 820 1HG2 ILE 96 1HG2 ILE 96 -19.588 8.867 0.782 821 2HG2 ILE 96 2HG2 ILE 96 -17.838 8.926 0.578 822 3HG2 ILE 96 3HG2 ILE 96 -18.550 9.202 2.167 823 1HD1 ILE 96 1HD1 ILE 96 -18.160 4.861 -0.582 824 2HD1 ILE 96 2HD1 ILE 96 -17.674 6.289 -1.496 825 3HD1 ILE 96 3HD1 ILE 96 -19.217 6.272 -0.641 Start of MODEL 19 1 1H MET 1 1HT MET 1 -2.179 -14.510 12.287 2 2H MET 1 2HT MET 1 -3.335 -13.267 12.369 3 3H MET 1 3HT MET 1 -1.725 -12.966 12.820 4 HA MET 1 HA MET 1 -1.027 -12.684 10.693 5 1HB MET 1 2HB MET 1 -2.061 -14.145 8.887 6 2HB MET 1 1HB MET 1 -1.292 -15.044 10.201 7 1HG MET 1 2HG MET 1 -3.827 -14.753 11.176 8 2HG MET 1 1HG MET 1 -4.146 -14.843 9.444 9 1HE MET 1 1HE MET 1 -1.790 -17.173 12.197 10 2HE MET 1 2HE MET 1 -3.397 -17.850 12.452 11 3HE MET 1 3HE MET 1 -3.160 -16.107 12.540 12 H LYS 2 H LYS 2 -1.676 -11.049 9.283 13 HA LYS 2 HA LYS 2 -3.953 -9.468 9.599 14 1HB LYS 2 2HB LYS 2 -2.810 -10.213 6.882 15 2HB LYS 2 1HB LYS 2 -3.477 -8.661 7.369 16 1HG LYS 2 2HG LYS 2 -0.824 -9.878 8.136 17 2HG LYS 2 1HG LYS 2 -1.146 -8.296 7.430 18 1HD LYS 2 2HD LYS 2 -2.568 -8.055 9.715 19 2HD LYS 2 1HD LYS 2 -1.316 -9.167 10.265 20 1HE LYS 2 2HE LYS 2 0.418 -7.633 9.834 21 2HE LYS 2 1HE LYS 2 -0.577 -6.687 8.709 22 1HZ LYS 2 1HZ LYS 2 -0.618 -6.731 11.636 23 2HZ LYS 2 2HZ LYS 2 -2.100 -6.524 10.832 24 3HZ LYS 2 3HZ LYS 2 -0.830 -5.426 10.574 25 H THR 3 H THR 3 -5.846 -10.669 9.955 26 HA THR 3 HA THR 3 -7.332 -12.620 9.464 27 HB THR 3 HB THR 3 -7.726 -10.001 8.054 28 HG1 THR 3 1HG THR 3 -9.478 -9.980 9.589 29 1HG2 THR 3 1HG2 THR 3 -9.490 -12.436 7.832 30 2HG2 THR 3 2HG2 THR 3 -8.860 -11.421 6.534 31 3HG2 THR 3 3HG2 THR 3 -10.114 -10.800 7.608 32 H ALA 4 H ALA 4 -6.871 -10.980 6.351 33 HA ALA 4 HA ALA 4 -7.218 -13.218 4.638 34 1HB ALA 4 1HB ALA 4 -7.190 -11.170 3.570 35 2HB ALA 4 2HB ALA 4 -5.502 -11.624 3.325 36 3HB ALA 4 3HB ALA 4 -5.938 -10.534 4.637 37 H TYR 5 H TYR 5 -5.953 -14.887 5.938 38 HA TYR 5 HA TYR 5 -3.885 -15.853 6.734 39 1HB TYR 5 2HB TYR 5 -2.723 -16.667 4.592 40 2HB TYR 5 1HB TYR 5 -4.427 -17.067 4.767 41 HD1 TYR 5 1HD TYR 5 -6.100 -15.261 3.765 42 HD2 TYR 5 2HD TYR 5 -1.994 -15.724 2.595 43 HE1 TYR 5 1HE TYR 5 -6.583 -14.136 1.617 44 HE2 TYR 5 2HE TYR 5 -2.482 -14.595 0.439 45 HH TYR 5 HH TYR 5 -4.059 -13.182 -0.575 46 H ASP 6 H ASP 6 -3.578 -13.186 7.172 47 HA ASP 6 HA ASP 6 -1.927 -11.598 7.573 48 1HB ASP 6 2HB ASP 6 -0.565 -13.306 8.345 49 2HB ASP 6 1HB ASP 6 -0.356 -14.005 6.741 50 H VAL 7 H VAL 7 -3.333 -11.080 5.343 51 HA VAL 7 HA VAL 7 -1.255 -10.019 3.464 52 HB VAL 7 HB VAL 7 -3.975 -10.933 2.554 53 1HG1 VAL 7 1HG1 VAL 7 -2.179 -9.514 1.270 54 2HG1 VAL 7 2HG1 VAL 7 -3.045 -10.805 0.434 55 3HG1 VAL 7 3HG1 VAL 7 -1.407 -11.081 1.023 56 1HG2 VAL 7 1HG2 VAL 7 -3.491 -13.102 2.759 57 2HG2 VAL 7 2HG2 VAL 7 -2.051 -12.677 3.680 58 3HG2 VAL 7 3HG2 VAL 7 -1.950 -12.878 1.931 59 H ILE 8 H ILE 8 -3.996 -9.180 2.056 60 HA ILE 8 HA ILE 8 -4.062 -6.471 2.677 61 HB ILE 8 HB ILE 8 -6.401 -8.282 1.978 62 1HG1 ILE 8 2HG1 ILE 8 -5.213 -7.136 -0.329 63 2HG1 ILE 8 1HG1 ILE 8 -3.901 -7.841 0.618 64 1HG2 ILE 8 1HG2 ILE 8 -6.029 -5.669 0.656 65 2HG2 ILE 8 2HG2 ILE 8 -6.348 -5.556 2.388 66 3HG2 ILE 8 3HG2 ILE 8 -7.493 -6.383 1.332 67 1HD1 ILE 8 1HD1 ILE 8 -5.059 -9.421 -1.007 68 2HD1 ILE 8 2HD1 ILE 8 -6.467 -9.326 0.041 69 3HD1 ILE 8 3HD1 ILE 8 -4.951 -9.984 0.656 70 H LEU 9 H LEU 9 -5.489 -5.212 4.052 71 HA LEU 9 HA LEU 9 -6.859 -6.713 6.242 72 1HB LEU 9 2HB LEU 9 -4.632 -4.690 6.388 73 2HB LEU 9 1HB LEU 9 -5.765 -4.852 7.730 74 HG LEU 9 HG LEU 9 -4.155 -7.127 6.535 75 1HD1 LEU 9 1HD1 LEU 9 -3.656 -6.438 9.322 76 2HD1 LEU 9 2HD1 LEU 9 -3.298 -5.087 8.245 77 3HD1 LEU 9 3HD1 LEU 9 -2.507 -6.644 8.000 78 1HD2 LEU 9 1HD2 LEU 9 -6.339 -6.916 8.541 79 2HD2 LEU 9 2HD2 LEU 9 -4.994 -7.973 8.969 80 3HD2 LEU 9 3HD2 LEU 9 -5.907 -8.262 7.488 81 H ALA 10 H ALA 10 -6.276 -3.292 6.497 82 HA ALA 10 HA ALA 10 -9.162 -2.798 5.870 83 1HB ALA 10 1HB ALA 10 -7.582 -0.743 7.276 84 2HB ALA 10 2HB ALA 10 -7.639 -2.296 8.110 85 3HB ALA 10 3HB ALA 10 -9.137 -1.453 7.711 86 HA PRO 11 HA PRO 11 -7.782 -0.428 2.404 87 1HB PRO 11 2HB PRO 11 -10.117 0.916 1.922 88 2HB PRO 11 1HB PRO 11 -9.886 -0.795 1.509 89 1HG PRO 11 2HG PRO 11 -11.308 0.419 3.821 90 2HG PRO 11 1HG PRO 11 -11.715 -1.018 2.872 91 1HD PRO 11 2HD PRO 11 -10.546 -1.103 5.345 92 2HD PRO 11 1HD PRO 11 -10.374 -2.381 4.121 93 H VAL 12 H VAL 12 -7.483 1.903 1.831 94 HA VAL 12 HA VAL 12 -7.216 3.567 4.285 95 HB VAL 12 HB VAL 12 -5.547 4.720 3.048 96 1HG1 VAL 12 1HG1 VAL 12 -4.104 2.987 2.954 97 2HG1 VAL 12 2HG1 VAL 12 -4.968 2.254 1.604 98 3HG1 VAL 12 3HG1 VAL 12 -5.485 1.935 3.260 99 1HG2 VAL 12 1HG2 VAL 12 -6.974 5.075 1.028 100 2HG2 VAL 12 2HG2 VAL 12 -6.645 3.413 0.539 101 3HG2 VAL 12 3HG2 VAL 12 -5.329 4.584 0.618 102 H LEU 13 H LEU 13 -8.321 5.526 4.502 103 HA LEU 13 HA LEU 13 -10.394 6.095 2.432 104 1HB LEU 13 2HB LEU 13 -10.035 6.766 5.362 105 2HB LEU 13 1HB LEU 13 -11.297 7.501 4.378 106 HG LEU 13 HG LEU 13 -12.320 5.613 5.417 107 1HD1 LEU 13 1HD1 LEU 13 -11.612 4.222 2.897 108 2HD1 LEU 13 2HD1 LEU 13 -12.228 5.864 2.714 109 3HD1 LEU 13 3HD1 LEU 13 -13.198 4.646 3.542 110 1HD2 LEU 13 1HD2 LEU 13 -9.985 4.601 5.935 111 2HD2 LEU 13 2HD2 LEU 13 -10.150 3.796 4.374 112 3HD2 LEU 13 3HD2 LEU 13 -11.324 3.487 5.653 113 H SER 14 H SER 14 -9.723 7.615 0.977 114 HA SER 14 HA SER 14 -8.904 10.259 1.860 115 1HB SER 14 2HB SER 14 -6.912 8.206 0.938 116 2HB SER 14 1HB SER 14 -6.630 9.904 0.561 117 HG SER 14 HG SER 14 -7.170 10.143 2.948 118 H GLU 15 H GLU 15 -9.153 11.738 0.148 119 HA GLU 15 HA GLU 15 -10.778 11.259 -2.028 120 1HB GLU 15 2HB GLU 15 -8.477 13.138 -1.523 121 2HB GLU 15 1HB GLU 15 -9.340 13.200 -3.061 122 1HG GLU 15 2HG GLU 15 -11.410 13.100 -1.251 123 2HG GLU 15 1HG GLU 15 -10.214 14.067 -0.388 124 H LYS 16 H LYS 16 -7.195 11.083 -2.093 125 HA LYS 16 HA LYS 16 -6.836 10.340 -4.774 126 1HB LYS 16 2HB LYS 16 -5.381 10.432 -2.304 127 2HB LYS 16 1HB LYS 16 -5.000 8.916 -3.120 128 1HG LYS 16 2HG LYS 16 -4.434 10.133 -5.173 129 2HG LYS 16 1HG LYS 16 -4.871 11.659 -4.406 130 1HD LYS 16 2HD LYS 16 -3.128 10.930 -2.584 131 2HD LYS 16 1HD LYS 16 -2.514 9.878 -3.860 132 1HE LYS 16 2HE LYS 16 -1.277 11.899 -4.121 133 2HE LYS 16 1HE LYS 16 -2.555 12.021 -5.346 134 1HZ LYS 16 1HZ LYS 16 -2.250 13.975 -3.727 135 2HZ LYS 16 2HZ LYS 16 -3.010 12.968 -2.588 136 3HZ LYS 16 3HZ LYS 16 -3.823 13.409 -4.013 137 H ALA 17 H ALA 17 -8.250 8.529 -2.188 138 HA ALA 17 HA ALA 17 -7.961 5.973 -3.713 139 1HB ALA 17 1HB ALA 17 -7.197 5.976 -1.389 140 2HB ALA 17 2HB ALA 17 -8.654 4.990 -1.514 141 3HB ALA 17 3HB ALA 17 -8.748 6.623 -0.853 142 H TYR 18 H TYR 18 -10.407 7.876 -1.906 143 HA TYR 18 HA TYR 18 -12.694 6.383 -2.644 144 1HB TYR 18 2HB TYR 18 -12.033 9.142 -1.749 145 2HB TYR 18 1HB TYR 18 -13.634 8.917 -2.457 146 HD1 TYR 18 1HD TYR 18 -14.248 6.135 -1.676 147 HD2 TYR 18 2HD TYR 18 -12.431 9.313 0.572 148 HE1 TYR 18 1HE TYR 18 -15.032 5.088 0.434 149 HE2 TYR 18 2HE TYR 18 -13.223 8.273 2.681 150 HH TYR 18 HH TYR 18 -15.052 6.719 3.388 151 H ALA 19 H ALA 19 -11.382 9.323 -4.228 152 HA ALA 19 HA ALA 19 -13.170 9.257 -6.465 153 1HB ALA 19 1HB ALA 19 -11.266 10.939 -5.434 154 2HB ALA 19 2HB ALA 19 -11.981 11.134 -7.034 155 3HB ALA 19 3HB ALA 19 -10.430 10.315 -6.855 156 H GLY 20 H GLY 20 -10.568 7.253 -5.580 157 1HA GLY 20 2HA GLY 20 -9.925 6.418 -8.343 158 2HA GLY 20 1HA GLY 20 -9.138 5.829 -6.872 159 H PHE 21 H PHE 21 -11.233 5.084 -5.308 160 HA PHE 21 HA PHE 21 -11.982 2.509 -6.101 161 1HB PHE 21 2HB PHE 21 -13.505 4.613 -4.526 162 2HB PHE 21 1HB PHE 21 -13.874 2.896 -4.499 163 HD1 PHE 21 1HD PHE 21 -10.425 3.071 -4.915 164 HD2 PHE 21 2HD PHE 21 -13.442 3.727 -1.928 165 HE1 PHE 21 1HE PHE 21 -8.729 2.762 -3.133 166 HE2 PHE 21 2HE PHE 21 -11.747 3.414 -0.147 167 HZ PHE 21 HZ PHE 21 -9.391 2.931 -0.749 168 H ALA 22 H ALA 22 -13.236 5.603 -7.013 169 HA ALA 22 HA ALA 22 -15.737 5.267 -8.006 170 1HB ALA 22 1HB ALA 22 -14.711 7.355 -8.297 171 2HB ALA 22 2HB ALA 22 -14.805 6.754 -9.952 172 3HB ALA 22 3HB ALA 22 -13.287 6.649 -9.060 173 H GLU 23 H GLU 23 -12.809 3.812 -9.293 174 HA GLU 23 HA GLU 23 -14.340 2.707 -11.599 175 1HB GLU 23 2HB GLU 23 -11.977 2.143 -12.381 176 2HB GLU 23 1HB GLU 23 -12.348 3.860 -12.222 177 1HG GLU 23 2HG GLU 23 -11.360 2.807 -9.713 178 2HG GLU 23 1HG GLU 23 -10.224 2.474 -11.016 179 H GLY 24 H GLY 24 -14.147 1.699 -8.615 180 1HA GLY 24 2HA GLY 24 -14.601 -0.490 -7.827 181 2HA GLY 24 1HA GLY 24 -14.070 -1.113 -9.380 182 H LYS 25 H LYS 25 -11.818 1.095 -8.257 183 HA LYS 25 HA LYS 25 -9.905 -1.056 -7.649 184 1HB LYS 25 2HB LYS 25 -9.895 1.912 -8.101 185 2HB LYS 25 1HB LYS 25 -8.502 1.187 -7.303 186 1HG LYS 25 2HG LYS 25 -8.192 1.298 -9.760 187 2HG LYS 25 1HG LYS 25 -8.210 -0.367 -9.184 188 1HD LYS 25 2HD LYS 25 -10.310 -0.795 -10.065 189 2HD LYS 25 1HD LYS 25 -10.784 0.898 -10.046 190 1HE LYS 25 2HE LYS 25 -10.390 0.280 -12.363 191 2HE LYS 25 1HE LYS 25 -9.027 1.295 -11.853 192 1HZ LYS 25 1HZ LYS 25 -7.680 -0.404 -12.275 193 2HZ LYS 25 2HZ LYS 25 -8.990 -1.408 -12.673 194 3HZ LYS 25 3HZ LYS 25 -8.450 -1.310 -11.066 195 H TYR 26 H TYR 26 -9.234 -1.613 -5.554 196 HA TYR 26 HA TYR 26 -10.167 0.169 -3.331 197 1HB TYR 26 2HB TYR 26 -10.154 -2.855 -3.531 198 2HB TYR 26 1HB TYR 26 -10.604 -1.951 -2.084 199 HD1 TYR 26 1HD TYR 26 -12.482 -0.173 -2.336 200 HD2 TYR 26 2HD TYR 26 -11.765 -3.308 -5.184 201 HE1 TYR 26 1HE TYR 26 -14.784 0.110 -3.222 202 HE2 TYR 26 2HE TYR 26 -14.064 -3.023 -6.073 203 HH TYR 26 HH TYR 26 -16.118 -0.373 -5.046 204 H THR 27 H THR 27 -8.354 1.052 -2.509 205 HA THR 27 HA THR 27 -5.743 -0.196 -2.522 206 HB THR 27 HB THR 27 -6.605 2.157 -0.848 207 HG1 THR 27 1HG THR 27 -6.766 1.854 -3.580 208 1HG2 THR 27 1HG2 THR 27 -4.178 1.953 -2.605 209 2HG2 THR 27 2HG2 THR 27 -4.206 1.130 -1.045 210 3HG2 THR 27 3HG2 THR 27 -4.403 2.882 -1.123 211 H PHE 28 H PHE 28 -4.838 -1.366 -0.892 212 HA PHE 28 HA PHE 28 -6.330 -1.563 1.704 213 1HB PHE 28 2HB PHE 28 -4.959 -3.718 0.074 214 2HB PHE 28 1HB PHE 28 -5.759 -3.961 1.620 215 HD1 PHE 28 1HD PHE 28 -6.363 -5.151 -1.240 216 HD2 PHE 28 2HD PHE 28 -8.058 -1.987 1.118 217 HE1 PHE 28 1HE PHE 28 -8.536 -5.438 -2.413 218 HE2 PHE 28 2HE PHE 28 -10.228 -2.273 -0.049 219 HZ PHE 28 HZ PHE 28 -10.467 -4.000 -1.814 220 H TRP 29 H TRP 29 -4.903 -2.395 3.481 221 HA TRP 29 HA TRP 29 -2.103 -1.390 3.178 222 1HB TRP 29 2HB TRP 29 -4.113 -1.646 5.408 223 2HB TRP 29 1HB TRP 29 -2.395 -1.659 5.811 224 HD1 TRP 29 HD TRP 29 -5.088 0.679 5.584 225 HE1 TRP 29 1HE TRP 29 -4.270 3.079 5.119 226 HE3 TRP 29 3HE TRP 29 -0.314 -0.298 4.053 227 HZ2 TRP 29 2HZ TRP 29 -1.904 4.409 4.216 228 HZ3 TRP 29 3HZ TRP 29 1.200 1.554 3.397 229 HH2 TRP 29 HH TRP 29 0.411 3.903 3.476 230 H VAL 30 H VAL 30 -0.623 -3.061 2.949 231 HA VAL 30 HA VAL 30 -1.160 -5.601 4.377 232 HB VAL 30 HB VAL 30 -2.331 -5.896 2.353 233 1HG1 VAL 30 1HG1 VAL 30 -1.615 -3.971 1.103 234 2HG1 VAL 30 2HG1 VAL 30 -1.213 -5.385 0.130 235 3HG1 VAL 30 3HG1 VAL 30 0.047 -4.558 1.045 236 1HG2 VAL 30 1HG2 VAL 30 0.441 -6.961 1.883 237 2HG2 VAL 30 2HG2 VAL 30 -1.044 -7.547 1.127 238 3HG2 VAL 30 3HG2 VAL 30 -0.803 -7.734 2.864 239 H HIS 31 H HIS 31 0.692 -7.099 4.192 240 HA HIS 31 HA HIS 31 3.177 -5.895 4.837 241 1HB HIS 31 2HB HIS 31 1.989 -8.429 4.758 242 2HB HIS 31 1HB HIS 31 3.393 -8.567 3.699 243 HD1 HIS 31 1HD HIS 31 3.191 -6.360 6.771 244 HD2 HIS 31 2HD HIS 31 5.143 -9.816 5.497 245 HE1 HIS 31 1HE HIS 31 4.903 -6.913 8.554 246 HA PRO 32 HA PRO 32 4.909 -4.951 0.901 247 1HB PRO 32 2HB PRO 32 7.555 -5.011 1.580 248 2HB PRO 32 1HB PRO 32 6.461 -3.704 2.067 249 1HG PRO 32 2HG PRO 32 7.445 -6.022 3.644 250 2HG PRO 32 1HG PRO 32 7.179 -4.346 4.148 251 1HD PRO 32 2HD PRO 32 5.449 -6.386 4.699 252 2HD PRO 32 1HD PRO 32 4.956 -4.684 4.555 253 H LYS 33 H LYS 33 4.086 -7.315 0.402 254 HA LYS 33 HA LYS 33 6.161 -8.753 -0.969 255 1HB LYS 33 2HB LYS 33 6.019 -10.759 0.679 256 2HB LYS 33 1HB LYS 33 6.999 -9.373 1.160 257 1HG LYS 33 2HG LYS 33 5.723 -9.108 2.997 258 2HG LYS 33 1HG LYS 33 4.307 -8.864 1.985 259 1HD LYS 33 2HD LYS 33 5.078 -11.674 2.103 260 2HD LYS 33 1HD LYS 33 4.741 -11.016 3.705 261 1HE LYS 33 2HE LYS 33 2.618 -9.983 2.543 262 2HE LYS 33 1HE LYS 33 2.897 -11.257 1.339 263 1HZ LYS 33 1HZ LYS 33 2.507 -12.892 2.831 264 2HZ LYS 33 2HZ LYS 33 1.583 -11.694 3.603 265 3HZ LYS 33 3HZ LYS 33 3.162 -12.026 4.134 266 H ALA 34 H ALA 34 3.012 -8.880 0.647 267 HA ALA 34 HA ALA 34 1.787 -11.127 -0.354 268 1HB ALA 34 1HB ALA 34 -0.270 -9.628 -0.472 269 2HB ALA 34 2HB ALA 34 0.809 -8.266 -0.169 270 3HB ALA 34 3HB ALA 34 0.635 -9.539 1.039 271 H THR 35 H THR 35 2.454 -11.828 -2.429 272 HA THR 35 HA THR 35 2.883 -10.364 -4.758 273 HB THR 35 HB THR 35 1.637 -12.636 -5.663 274 HG1 THR 35 1HG THR 35 2.765 -13.488 -3.265 275 1HG2 THR 35 1HG2 THR 35 3.976 -11.987 -6.059 276 2HG2 THR 35 2HG2 THR 35 3.877 -13.668 -5.537 277 3HG2 THR 35 3HG2 THR 35 4.383 -12.418 -4.399 278 H LYS 36 H LYS 36 1.558 -9.449 -6.344 279 HA LYS 36 HA LYS 36 -0.937 -8.347 -5.737 280 1HB LYS 36 2HB LYS 36 0.090 -9.292 -8.435 281 2HB LYS 36 1HB LYS 36 -1.106 -8.023 -8.168 282 1HG LYS 36 2HG LYS 36 0.685 -6.852 -6.749 283 2HG LYS 36 1HG LYS 36 1.831 -7.992 -7.454 284 1HD LYS 36 2HD LYS 36 1.851 -6.908 -9.435 285 2HD LYS 36 1HD LYS 36 0.093 -6.763 -9.461 286 1HE LYS 36 2HE LYS 36 0.111 -4.708 -8.365 287 2HE LYS 36 1HE LYS 36 1.651 -5.040 -7.551 288 1HZ LYS 36 1HZ LYS 36 2.829 -4.800 -9.567 289 2HZ LYS 36 2HZ LYS 36 1.776 -3.468 -9.497 290 3HZ LYS 36 3HZ LYS 36 1.410 -4.793 -10.496 291 H THR 37 H THR 37 -0.292 -11.446 -7.407 292 HA THR 37 HA THR 37 -3.024 -12.164 -7.854 293 HB THR 37 HB THR 37 -0.829 -14.099 -7.329 294 HG1 THR 37 1HG THR 37 -1.086 -12.734 -9.766 295 1HG2 THR 37 1HG2 THR 37 -3.043 -14.935 -7.991 296 2HG2 THR 37 2HG2 THR 37 -1.846 -15.254 -9.247 297 3HG2 THR 37 3HG2 THR 37 -2.988 -13.922 -9.434 298 H GLU 38 H GLU 38 -0.767 -13.149 -5.260 299 HA GLU 38 HA GLU 38 -2.529 -14.784 -3.773 300 1HB GLU 38 2HB GLU 38 -0.091 -13.142 -3.300 301 2HB GLU 38 1HB GLU 38 -0.985 -13.641 -1.863 302 1HG GLU 38 2HG GLU 38 -0.719 -15.822 -3.778 303 2HG GLU 38 1HG GLU 38 0.852 -15.196 -3.276 304 H ILE 39 H ILE 39 -2.041 -11.258 -3.636 305 HA ILE 39 HA ILE 39 -3.736 -10.651 -1.448 306 HB ILE 39 HB ILE 39 -2.795 -9.280 -3.958 307 1HG1 ILE 39 2HG1 ILE 39 -2.400 -8.750 -0.998 308 2HG1 ILE 39 1HG1 ILE 39 -1.263 -9.596 -2.050 309 1HG2 ILE 39 1HG2 ILE 39 -3.890 -7.230 -3.387 310 2HG2 ILE 39 2HG2 ILE 39 -4.467 -7.884 -1.859 311 3HG2 ILE 39 3HG2 ILE 39 -5.146 -8.465 -3.377 312 1HD1 ILE 39 1HD1 ILE 39 -0.456 -7.665 -2.887 313 2HD1 ILE 39 2HD1 ILE 39 -1.318 -6.851 -1.580 314 3HD1 ILE 39 3HD1 ILE 39 -2.076 -7.025 -3.164 315 H LYS 40 H LYS 40 -4.479 -11.402 -4.810 316 HA LYS 40 HA LYS 40 -7.165 -10.478 -4.963 317 1HB LYS 40 2HB LYS 40 -5.582 -11.344 -6.762 318 2HB LYS 40 1HB LYS 40 -5.983 -12.970 -6.212 319 1HG LYS 40 2HG LYS 40 -8.017 -12.928 -7.200 320 2HG LYS 40 1HG LYS 40 -8.342 -11.283 -6.657 321 1HD LYS 40 2HD LYS 40 -7.331 -10.321 -8.522 322 2HD LYS 40 1HD LYS 40 -6.312 -11.730 -8.822 323 1HE LYS 40 2HE LYS 40 -8.932 -12.706 -9.057 324 2HE LYS 40 1HE LYS 40 -8.951 -11.138 -9.889 325 1HZ LYS 40 1HZ LYS 40 -6.768 -11.848 -10.898 326 2HZ LYS 40 2HZ LYS 40 -8.140 -12.675 -11.461 327 3HZ LYS 40 3HZ LYS 40 -7.103 -13.413 -10.336 328 H ASN 41 H ASN 41 -5.900 -13.672 -4.003 329 HA ASN 41 HA ASN 41 -8.358 -15.006 -3.599 330 1HB ASN 41 2HB ASN 41 -5.578 -15.225 -2.462 331 2HB ASN 41 1HB ASN 41 -6.846 -16.346 -1.966 332 1HD2 ASN 41 1HD2 ASN 41 -5.045 -15.179 -4.832 333 2HD2 ASN 41 2HD2 ASN 41 -5.368 -16.545 -5.787 334 H ALA 42 H ALA 42 -6.588 -12.873 -1.331 335 HA ALA 42 HA ALA 42 -8.184 -13.581 0.967 336 1HB ALA 42 1HB ALA 42 -5.937 -11.999 0.336 337 2HB ALA 42 2HB ALA 42 -6.582 -12.335 1.944 338 3HB ALA 42 3HB ALA 42 -7.109 -10.899 1.063 339 H VAL 43 H VAL 43 -8.382 -10.691 -1.198 340 HA VAL 43 HA VAL 43 -10.721 -9.656 0.142 341 HB VAL 43 HB VAL 43 -10.876 -8.294 -1.997 342 1HG1 VAL 43 1HG1 VAL 43 -9.512 -7.668 0.013 343 2HG1 VAL 43 2HG1 VAL 43 -8.871 -7.032 -1.501 344 3HG1 VAL 43 3HG1 VAL 43 -8.120 -8.439 -0.747 345 1HG2 VAL 43 1HG2 VAL 43 -8.222 -9.400 -2.787 346 2HG2 VAL 43 2HG2 VAL 43 -9.495 -8.700 -3.789 347 3HG2 VAL 43 3HG2 VAL 43 -9.648 -10.354 -3.197 348 H GLU 44 H GLU 44 -10.269 -12.022 -2.424 349 HA GLU 44 HA GLU 44 -12.850 -12.006 -3.599 350 1HB GLU 44 2HB GLU 44 -10.538 -13.789 -3.298 351 2HB GLU 44 1HB GLU 44 -12.058 -14.671 -3.457 352 1HG GLU 44 2HG GLU 44 -12.230 -12.611 -5.349 353 2HG GLU 44 1HG GLU 44 -10.573 -13.202 -5.478 354 H THR 45 H THR 45 -11.670 -13.971 -0.844 355 HA THR 45 HA THR 45 -14.377 -14.859 -0.152 356 HB THR 45 HB THR 45 -13.181 -16.060 1.598 357 HG1 THR 45 1HG THR 45 -10.893 -15.598 1.804 358 1HG2 THR 45 1HG2 THR 45 -11.356 -15.964 -0.810 359 2HG2 THR 45 2HG2 THR 45 -12.928 -16.764 -0.831 360 3HG2 THR 45 3HG2 THR 45 -11.663 -17.334 0.256 361 H ALA 46 H ALA 46 -11.928 -12.685 1.264 362 HA ALA 46 HA ALA 46 -13.303 -11.898 3.603 363 1HB ALA 46 1HB ALA 46 -11.764 -10.016 3.545 364 2HB ALA 46 2HB ALA 46 -11.539 -10.208 1.807 365 3HB ALA 46 3HB ALA 46 -10.928 -11.435 2.915 366 H PHE 47 H PHE 47 -13.132 -9.944 0.584 367 HA PHE 47 HA PHE 47 -15.334 -8.251 1.393 368 1HB PHE 47 2HB PHE 47 -13.720 -8.735 -1.101 369 2HB PHE 47 1HB PHE 47 -15.116 -7.661 -1.146 370 HD1 PHE 47 1HD PHE 47 -15.242 -5.807 0.664 371 HD2 PHE 47 2HD PHE 47 -11.647 -7.936 -0.329 372 HE1 PHE 47 1HE PHE 47 -13.888 -3.995 1.679 373 HE2 PHE 47 2HE PHE 47 -10.293 -6.121 0.685 374 HZ PHE 47 HZ PHE 47 -11.413 -4.152 1.688 375 H LYS 48 H LYS 48 -15.093 -11.309 -0.223 376 HA LYS 48 HA LYS 48 -16.797 -12.816 -0.863 377 1HB LYS 48 2HB LYS 48 -17.974 -10.926 0.934 378 2HB LYS 48 1HB LYS 48 -19.123 -11.216 -0.374 379 1HG LYS 48 2HG LYS 48 -17.984 -13.728 0.329 380 2HG LYS 48 1HG LYS 48 -18.461 -12.929 1.827 381 1HD LYS 48 2HD LYS 48 -20.713 -12.535 0.917 382 2HD LYS 48 1HD LYS 48 -20.244 -13.309 -0.598 383 1HE LYS 48 2HE LYS 48 -20.232 -15.439 0.335 384 2HE LYS 48 1HE LYS 48 -19.865 -14.834 1.963 385 1HZ LYS 48 1HZ LYS 48 -22.414 -14.398 0.497 386 2HZ LYS 48 2HZ LYS 48 -22.053 -13.825 2.055 387 3HZ LYS 48 3HZ LYS 48 -22.196 -15.495 1.773 388 H VAL 49 H VAL 49 -15.611 -11.360 -2.838 389 HA VAL 49 HA VAL 49 -17.833 -10.991 -4.764 390 HB VAL 49 HB VAL 49 -17.560 -8.764 -3.983 391 1HG1 VAL 49 1HG1 VAL 49 -15.724 -8.621 -2.610 392 2HG1 VAL 49 2HG1 VAL 49 -14.988 -7.942 -4.063 393 3HG1 VAL 49 3HG1 VAL 49 -14.738 -9.640 -3.657 394 1HG2 VAL 49 1HG2 VAL 49 -15.614 -9.058 -6.276 395 2HG2 VAL 49 2HG2 VAL 49 -16.470 -7.585 -5.823 396 3HG2 VAL 49 3HG2 VAL 49 -17.366 -8.968 -6.451 397 H LYS 50 H LYS 50 -16.807 -10.667 -7.018 398 HA LYS 50 HA LYS 50 -14.614 -12.629 -7.327 399 1HB LYS 50 2HB LYS 50 -16.884 -12.320 -8.657 400 2HB LYS 50 1HB LYS 50 -15.949 -11.131 -9.564 401 1HG LYS 50 2HG LYS 50 -14.660 -13.773 -9.075 402 2HG LYS 50 1HG LYS 50 -15.987 -13.734 -10.238 403 1HD LYS 50 2HD LYS 50 -14.167 -11.489 -10.609 404 2HD LYS 50 1HD LYS 50 -13.330 -13.035 -10.746 405 1HE LYS 50 2HE LYS 50 -15.808 -13.316 -12.126 406 2HE LYS 50 1HE LYS 50 -15.065 -11.798 -12.669 407 1HZ LYS 50 1HZ LYS 50 -12.916 -13.122 -12.739 408 2HZ LYS 50 2HZ LYS 50 -14.048 -13.444 -13.964 409 3HZ LYS 50 3HZ LYS 50 -13.883 -14.512 -12.653 410 H VAL 51 H VAL 51 -12.579 -11.743 -7.078 411 HA VAL 51 HA VAL 51 -12.022 -8.935 -7.654 412 HB VAL 51 HB VAL 51 -10.153 -11.269 -7.136 413 1HG1 VAL 51 1HG1 VAL 51 -9.914 -8.267 -7.005 414 2HG1 VAL 51 2HG1 VAL 51 -8.835 -9.427 -7.781 415 3HG1 VAL 51 3HG1 VAL 51 -8.871 -9.295 -6.022 416 1HG2 VAL 51 1HG2 VAL 51 -12.210 -10.448 -5.492 417 2HG2 VAL 51 2HG2 VAL 51 -10.856 -9.483 -4.904 418 3HG2 VAL 51 3HG2 VAL 51 -10.736 -11.242 -4.940 419 H VAL 52 H VAL 52 -11.080 -8.112 -9.521 420 HA VAL 52 HA VAL 52 -10.621 -10.070 -11.736 421 HB VAL 52 HB VAL 52 -12.450 -8.377 -11.926 422 1HG1 VAL 52 1HG1 VAL 52 -10.681 -6.668 -10.734 423 2HG1 VAL 52 2HG1 VAL 52 -12.111 -6.152 -11.626 424 3HG1 VAL 52 3HG1 VAL 52 -10.538 -6.186 -12.422 425 1HG2 VAL 52 1HG2 VAL 52 -12.057 -8.536 -14.126 426 2HG2 VAL 52 2HG2 VAL 52 -10.383 -8.982 -13.784 427 3HG2 VAL 52 3HG2 VAL 52 -10.815 -7.285 -14.000 428 H LYS 53 H LYS 53 -9.156 -7.395 -9.934 429 HA LYS 53 HA LYS 53 -6.524 -8.159 -10.997 430 1HB LYS 53 2HB LYS 53 -6.211 -6.374 -12.414 431 2HB LYS 53 1HB LYS 53 -7.967 -6.446 -12.510 432 1HG LYS 53 2HG LYS 53 -7.851 -4.251 -11.925 433 2HG LYS 53 1HG LYS 53 -7.633 -4.880 -10.295 434 1HD LYS 53 2HD LYS 53 -5.759 -3.548 -10.400 435 2HD LYS 53 1HD LYS 53 -5.085 -5.016 -11.110 436 1HE LYS 53 2HE LYS 53 -6.343 -2.785 -12.744 437 2HE LYS 53 1HE LYS 53 -4.597 -2.960 -12.477 438 1HZ LYS 53 1HZ LYS 53 -4.789 -5.261 -13.304 439 2HZ LYS 53 2HZ LYS 53 -5.187 -4.109 -14.488 440 3HZ LYS 53 3HZ LYS 53 -6.415 -4.973 -13.692 441 H VAL 54 H VAL 54 -4.810 -7.327 -9.693 442 HA VAL 54 HA VAL 54 -5.636 -5.668 -7.346 443 HB VAL 54 HB VAL 54 -4.505 -8.410 -7.497 444 1HG1 VAL 54 1HG1 VAL 54 -3.552 -6.421 -5.407 445 2HG1 VAL 54 2HG1 VAL 54 -2.541 -7.175 -6.642 446 3HG1 VAL 54 3HG1 VAL 54 -3.262 -8.160 -5.369 447 1HG2 VAL 54 1HG2 VAL 54 -6.656 -7.077 -6.283 448 2HG2 VAL 54 2HG2 VAL 54 -5.573 -7.502 -4.956 449 3HG2 VAL 54 3HG2 VAL 54 -6.184 -8.760 -6.033 450 H ASN 55 H ASN 55 -4.413 -3.834 -7.414 451 HA ASN 55 HA ASN 55 -1.602 -4.072 -8.413 452 1HB ASN 55 2HB ASN 55 -3.829 -2.342 -9.058 453 2HB ASN 55 1HB ASN 55 -2.477 -1.381 -8.458 454 1HD2 ASN 55 1HD2 ASN 55 -2.708 -0.769 -10.972 455 2HD2 ASN 55 2HD2 ASN 55 -1.707 -1.659 -12.014 456 H THR 56 H THR 56 -0.242 -4.016 -6.675 457 HA THR 56 HA THR 56 -0.968 -2.204 -4.406 458 HB THR 56 HB THR 56 -0.865 -4.103 -3.166 459 HG1 THR 56 1HG THR 56 1.268 -3.300 -2.847 460 1HG2 THR 56 1HG2 THR 56 0.362 -5.402 -5.610 461 2HG2 THR 56 2HG2 THR 56 -1.308 -5.526 -5.052 462 3HG2 THR 56 3HG2 THR 56 -0.009 -6.270 -4.122 463 H LEU 57 H LEU 57 0.763 -1.004 -3.465 464 HA LEU 57 HA LEU 57 3.377 -1.066 -4.916 465 1HB LEU 57 2HB LEU 57 3.221 1.344 -5.242 466 2HB LEU 57 1HB LEU 57 1.760 0.601 -5.890 467 HG LEU 57 HG LEU 57 0.999 1.008 -3.314 468 1HD1 LEU 57 1HD1 LEU 57 3.057 3.093 -4.032 469 2HD1 LEU 57 2HD1 LEU 57 2.891 2.183 -2.530 470 3HD1 LEU 57 3HD1 LEU 57 1.737 3.459 -2.920 471 1HD2 LEU 57 1HD2 LEU 57 -0.586 2.041 -4.538 472 2HD2 LEU 57 2HD2 LEU 57 0.527 2.188 -5.899 473 3HD2 LEU 57 3HD2 LEU 57 0.469 3.448 -4.667 474 H HIS 58 H HIS 58 5.002 0.377 -3.695 475 HA HIS 58 HA HIS 58 4.763 -0.189 -0.798 476 1HB HIS 58 2HB HIS 58 6.784 -0.243 -2.706 477 2HB HIS 58 1HB HIS 58 7.144 1.214 -1.779 478 HD1 HIS 58 1HD HIS 58 9.137 -0.943 -1.367 479 HD2 HIS 58 2HD HIS 58 5.610 -0.819 0.855 480 HE1 HIS 58 1HE HIS 58 9.564 -2.294 0.732 481 H VAL 59 H VAL 59 3.966 1.358 0.538 482 HA VAL 59 HA VAL 59 4.269 4.234 -0.260 483 HB VAL 59 HB VAL 59 2.235 4.072 1.634 484 1HG1 VAL 59 1HG1 VAL 59 2.466 4.422 -1.302 485 2HG1 VAL 59 2HG1 VAL 59 1.725 5.474 -0.095 486 3HG1 VAL 59 3HG1 VAL 59 0.850 4.064 -0.694 487 1HG2 VAL 59 1HG2 VAL 59 1.994 1.732 -0.288 488 2HG2 VAL 59 2HG2 VAL 59 0.720 2.304 0.790 489 3HG2 VAL 59 3HG2 VAL 59 2.197 1.611 1.460 490 H ARG 60 H ARG 60 5.425 5.487 1.156 491 HA ARG 60 HA ARG 60 6.033 4.327 3.856 492 1HB ARG 60 2HB ARG 60 7.660 6.381 2.349 493 2HB ARG 60 1HB ARG 60 8.192 5.295 3.633 494 1HG ARG 60 2HG ARG 60 7.434 4.537 0.798 495 2HG ARG 60 1HG ARG 60 9.029 4.420 1.540 496 1HD ARG 60 2HD ARG 60 8.425 2.573 2.858 497 2HD ARG 60 1HD ARG 60 6.693 2.947 2.758 498 HE ARG 60 HE ARG 60 6.695 1.602 0.823 499 1HH1 ARG 60 1HH2 ARG 60 9.431 0.555 1.069 500 2HH1 ARG 60 2HH2 ARG 60 10.213 1.155 -0.355 501 1HH2 ARG 60 1HH1 ARG 60 7.803 3.570 -0.982 502 2HH2 ARG 60 2HH1 ARG 60 9.292 2.862 -1.516 503 H GLY 61 H GLY 61 6.654 6.202 5.443 504 1HA GLY 61 2HA GLY 61 4.457 7.769 6.073 505 2HA GLY 61 1HA GLY 61 6.103 8.232 6.510 506 H LYS 62 H LYS 62 3.480 9.485 5.107 507 HA LYS 62 HA LYS 62 4.893 10.837 2.857 508 1HB LYS 62 2HB LYS 62 2.157 10.073 3.593 509 2HB LYS 62 1HB LYS 62 2.263 11.716 2.961 510 1HG LYS 62 2HG LYS 62 3.751 9.557 1.522 511 2HG LYS 62 1HG LYS 62 2.000 9.637 1.322 512 1HD LYS 62 2HD LYS 62 3.249 10.968 -0.395 513 2HD LYS 62 1HD LYS 62 2.138 11.943 0.569 514 1HE LYS 62 2HE LYS 62 4.012 12.661 2.017 515 2HE LYS 62 1HE LYS 62 5.131 11.691 1.040 516 1HZ LYS 62 1HZ LYS 62 3.559 14.058 0.238 517 2HZ LYS 62 2HZ LYS 62 4.088 12.938 -0.924 518 3HZ LYS 62 3HZ LYS 62 5.218 13.770 0.035 519 H LYS 63 H LYS 63 2.628 11.844 5.458 520 HA LYS 63 HA LYS 63 3.408 14.613 5.369 521 1HB LYS 63 2HB LYS 63 1.423 13.060 6.489 522 2HB LYS 63 1HB LYS 63 2.355 13.545 7.906 523 1HG LYS 63 2HG LYS 63 2.261 15.931 6.920 524 2HG LYS 63 1HG LYS 63 0.981 15.308 5.878 525 1HD LYS 63 2HD LYS 63 -0.460 15.692 7.568 526 2HD LYS 63 1HD LYS 63 0.331 14.379 8.442 527 1HE LYS 63 2HE LYS 63 1.527 17.150 8.487 528 2HE LYS 63 1HE LYS 63 0.214 16.716 9.601 529 1HZ LYS 63 1HZ LYS 63 2.179 16.084 10.697 530 2HZ LYS 63 2HZ LYS 63 2.856 15.410 9.292 531 3HZ LYS 63 3HZ LYS 63 1.554 14.639 10.066 532 H LYS 64 H LYS 64 4.985 15.708 6.549 533 HA LYS 64 HA LYS 64 6.926 15.992 7.869 534 1HB LYS 64 2HB LYS 64 4.956 14.991 9.401 535 2HB LYS 64 1HB LYS 64 6.100 13.655 9.533 536 1HG LYS 64 2HG LYS 64 7.804 15.076 10.421 537 2HG LYS 64 1HG LYS 64 6.901 16.533 10.005 538 1HD LYS 64 2HD LYS 64 5.129 15.068 11.586 539 2HD LYS 64 1HD LYS 64 6.691 14.851 12.377 540 1HE LYS 64 2HE LYS 64 5.803 17.595 11.480 541 2HE LYS 64 1HE LYS 64 5.297 16.939 13.050 542 1HZ LYS 64 1HZ LYS 64 8.098 16.603 12.312 543 2HZ LYS 64 2HZ LYS 64 7.407 16.907 13.834 544 3HZ LYS 64 3HZ LYS 64 7.611 18.176 12.722 545 H ARG 65 H ARG 65 8.082 15.036 5.907 546 HA ARG 65 HA ARG 65 9.078 12.258 6.389 547 1HB ARG 65 2HB ARG 65 8.509 14.006 4.077 548 2HB ARG 65 1HB ARG 65 9.997 13.069 3.929 549 1HG ARG 65 2HG ARG 65 7.837 11.448 5.007 550 2HG ARG 65 1HG ARG 65 7.399 12.144 3.446 551 1HD ARG 65 2HD ARG 65 10.148 11.166 3.434 552 2HD ARG 65 1HD ARG 65 8.990 9.878 3.823 553 HE ARG 65 HE ARG 65 7.694 10.678 1.774 554 1HH1 ARG 65 1HH2 ARG 65 9.516 13.044 1.261 555 2HH1 ARG 65 2HH2 ARG 65 10.512 12.441 -0.020 556 1HH2 ARG 65 1HH1 ARG 65 9.645 9.125 0.509 557 2HH2 ARG 65 2HH1 ARG 65 10.586 10.222 -0.446 558 H LEU 66 H LEU 66 10.684 14.900 4.650 559 HA LEU 66 HA LEU 66 12.943 15.620 4.818 560 1HB LEU 66 2HB LEU 66 11.599 15.778 7.492 561 2HB LEU 66 1HB LEU 66 13.318 16.165 7.402 562 HG LEU 66 HG LEU 66 11.927 18.187 7.093 563 1HD1 LEU 66 1HD1 LEU 66 12.838 18.064 4.364 564 2HD1 LEU 66 2HD1 LEU 66 14.004 17.249 5.407 565 3HD1 LEU 66 3HD1 LEU 66 13.556 18.924 5.727 566 1HD2 LEU 66 1HD2 LEU 66 10.188 18.305 5.609 567 2HD2 LEU 66 2HD2 LEU 66 10.190 16.550 5.791 568 3HD2 LEU 66 3HD2 LEU 66 11.007 17.295 4.417 569 H GLY 67 H GLY 67 13.519 13.239 4.255 570 1HA GLY 67 2HA GLY 67 14.297 11.422 6.304 571 2HA GLY 67 1HA GLY 67 14.817 11.337 4.626 572 H ARG 68 H ARG 68 15.399 13.596 7.363 573 HA ARG 68 HA ARG 68 18.313 13.201 6.914 574 1HB ARG 68 2HB ARG 68 18.647 15.492 6.603 575 2HB ARG 68 1HB ARG 68 17.091 15.245 5.819 576 1HG ARG 68 2HG ARG 68 16.369 16.934 7.151 577 2HG ARG 68 1HG ARG 68 16.331 15.705 8.416 578 1HD ARG 68 2HD ARG 68 18.136 16.599 9.492 579 2HD ARG 68 1HD ARG 68 18.998 16.908 7.971 580 HE ARG 68 HE ARG 68 17.069 18.737 9.260 581 1HH1 ARG 68 1HH1 ARG 68 18.024 17.727 6.166 582 2HH1 ARG 68 2HH1 ARG 68 18.332 19.323 5.567 583 1HH2 ARG 68 1HH2 ARG 68 17.845 20.857 8.637 584 2HH2 ARG 68 2HH2 ARG 68 18.231 21.095 6.966 585 H TYR 69 H TYR 69 16.213 12.487 8.898 586 HA TYR 69 HA TYR 69 17.795 12.841 11.318 587 1HB TYR 69 2HB TYR 69 16.826 15.033 11.221 588 2HB TYR 69 1HB TYR 69 15.249 14.376 10.782 589 HD1 TYR 69 1HD TYR 69 17.691 13.360 13.437 590 HD2 TYR 69 2HD TYR 69 13.771 14.870 12.539 591 HE1 TYR 69 1HE TYR 69 17.086 13.216 15.838 592 HE2 TYR 69 2HE TYR 69 13.166 14.726 14.940 593 HH TYR 69 HH TYR 69 15.562 13.847 17.389 594 H LEU 70 H LEU 70 17.101 10.448 10.318 595 HA LEU 70 HA LEU 70 15.793 8.491 10.631 596 1HB LEU 70 2HB LEU 70 16.806 9.590 12.955 597 2HB LEU 70 1HB LEU 70 15.112 9.316 13.357 598 HG LEU 70 HG LEU 70 15.758 6.989 12.048 599 1HD1 LEU 70 1HD1 LEU 70 17.925 6.399 13.464 600 2HD1 LEU 70 2HD1 LEU 70 18.203 8.137 13.344 601 3HD1 LEU 70 3HD1 LEU 70 18.066 7.162 11.880 602 1HD2 LEU 70 1HD2 LEU 70 14.629 7.516 14.339 603 2HD2 LEU 70 2HD2 LEU 70 16.247 7.299 15.007 604 3HD2 LEU 70 3HD2 LEU 70 15.461 5.972 14.152 605 H GLY 71 H GLY 71 14.328 10.602 9.499 606 1HA GLY 71 2HA GLY 71 11.915 11.342 10.733 607 2HA GLY 71 1HA GLY 71 12.090 11.124 8.991 608 H LYS 72 H LYS 72 9.754 10.358 9.390 609 HA LYS 72 HA LYS 72 9.638 7.546 10.383 610 1HB LYS 72 2HB LYS 72 7.757 9.837 9.987 611 2HB LYS 72 1HB LYS 72 7.089 8.207 9.896 612 1HG LYS 72 2HG LYS 72 8.552 7.894 12.113 613 2HG LYS 72 1HG LYS 72 8.291 9.635 12.225 614 1HD LYS 72 2HD LYS 72 6.340 9.025 13.236 615 2HD LYS 72 1HD LYS 72 5.782 8.798 11.579 616 1HE LYS 72 2HE LYS 72 7.113 6.409 12.173 617 2HE LYS 72 1HE LYS 72 6.207 6.792 13.650 618 1HZ LYS 72 1HZ LYS 72 4.347 7.420 11.996 619 2HZ LYS 72 2HZ LYS 72 4.609 5.778 12.345 620 3HZ LYS 72 3HZ LYS 72 5.201 6.447 10.900 621 H ARG 73 H ARG 73 10.123 6.119 8.734 622 HA ARG 73 HA ARG 73 8.459 6.178 6.301 623 1HB ARG 73 2HB ARG 73 10.353 7.727 5.855 624 2HB ARG 73 1HB ARG 73 11.485 6.419 6.206 625 1HG ARG 73 2HG ARG 73 9.900 5.187 4.386 626 2HG ARG 73 1HG ARG 73 9.781 6.853 3.817 627 1HD ARG 73 2HD ARG 73 12.478 5.685 4.496 628 2HD ARG 73 1HD ARG 73 11.744 5.391 2.907 629 HE ARG 73 HE ARG 73 11.728 7.802 2.520 630 1HH1 ARG 73 1HH2 ARG 73 14.455 6.868 3.897 631 2HH1 ARG 73 2HH2 ARG 73 14.769 8.289 4.837 632 1HH2 ARG 73 1HH1 ARG 73 11.590 9.603 4.400 633 2HH2 ARG 73 2HH1 ARG 73 13.147 9.837 5.121 634 HA PRO 74 HA PRO 74 9.724 1.996 7.772 635 1HB PRO 74 2HB PRO 74 7.203 0.977 7.935 636 2HB PRO 74 1HB PRO 74 7.959 1.880 9.261 637 1HG PRO 74 2HG PRO 74 5.914 2.752 7.305 638 2HG PRO 74 1HG PRO 74 6.129 3.214 8.999 639 1HD PRO 74 2HD PRO 74 6.878 4.751 6.818 640 2HD PRO 74 1HD PRO 74 7.509 4.940 8.467 641 H ASP 75 H ASP 75 8.347 -0.146 6.756 642 HA ASP 75 HA ASP 75 8.425 0.305 3.810 643 1HB ASP 75 2HB ASP 75 9.203 -2.026 3.739 644 2HB ASP 75 1HB ASP 75 10.217 -1.092 4.836 645 H ARG 76 H ARG 76 6.154 0.787 3.752 646 HA ARG 76 HA ARG 76 4.386 -1.585 4.257 647 1HB ARG 76 2HB ARG 76 4.164 0.372 5.842 648 2HB ARG 76 1HB ARG 76 3.671 1.355 4.462 649 1HG ARG 76 2HG ARG 76 1.728 0.429 5.732 650 2HG ARG 76 1HG ARG 76 1.763 -0.103 4.051 651 1HD ARG 76 2HD ARG 76 1.916 -2.272 4.684 652 2HD ARG 76 1HD ARG 76 3.298 -1.912 5.737 653 HE ARG 76 HE ARG 76 0.435 -1.628 6.550 654 1HH1 ARG 76 1HH2 ARG 76 3.538 -0.670 7.412 655 2HH1 ARG 76 2HH2 ARG 76 3.461 -1.268 9.036 656 1HH2 ARG 76 1HH1 ARG 76 0.437 -2.900 8.573 657 2HH2 ARG 76 2HH1 ARG 76 1.705 -2.531 9.693 658 H LYS 77 H LYS 77 2.948 -2.092 2.583 659 HA LYS 77 HA LYS 77 3.068 -0.339 0.149 660 1HB LYS 77 2HB LYS 77 3.171 -2.338 -1.164 661 2HB LYS 77 1HB LYS 77 4.311 -2.582 0.159 662 1HG LYS 77 2HG LYS 77 2.779 -3.985 1.345 663 2HG LYS 77 1HG LYS 77 1.441 -3.537 0.287 664 1HD LYS 77 2HD LYS 77 3.388 -4.496 -1.464 665 2HD LYS 77 1HD LYS 77 3.472 -5.594 -0.087 666 1HE LYS 77 2HE LYS 77 1.169 -6.188 -0.281 667 2HE LYS 77 1HE LYS 77 0.843 -4.840 -1.389 668 1HZ LYS 77 1HZ LYS 77 2.532 -7.228 -1.885 669 2HZ LYS 77 2HZ LYS 77 2.586 -5.845 -2.869 670 3HZ LYS 77 3HZ LYS 77 1.150 -6.743 -2.739 671 H LYS 78 H LYS 78 1.076 0.075 -0.866 672 HA LYS 78 HA LYS 78 -1.334 -0.849 0.618 673 1HB LYS 78 2HB LYS 78 -2.399 1.064 -0.553 674 2HB LYS 78 1HB LYS 78 -0.948 1.572 0.310 675 1HG LYS 78 2HG LYS 78 0.334 1.683 -1.683 676 2HG LYS 78 1HG LYS 78 -0.858 0.758 -2.595 677 1HD LYS 78 2HD LYS 78 -0.850 3.278 -3.015 678 2HD LYS 78 1HD LYS 78 -2.411 2.572 -2.595 679 1HE LYS 78 2HE LYS 78 -2.536 3.760 -0.656 680 2HE LYS 78 1HE LYS 78 -0.844 3.416 -0.246 681 1HZ LYS 78 1HZ LYS 78 -0.702 5.629 -0.768 682 2HZ LYS 78 2HZ LYS 78 -1.951 5.562 -1.919 683 3HZ LYS 78 3HZ LYS 78 -0.411 4.952 -2.296 684 H ALA 79 H ALA 79 -3.088 -1.870 -0.549 685 HA ALA 79 HA ALA 79 -2.286 -2.923 -3.240 686 1HB ALA 79 1HB ALA 79 -4.365 -4.277 -1.657 687 2HB ALA 79 2HB ALA 79 -2.748 -4.277 -0.940 688 3HB ALA 79 3HB ALA 79 -3.001 -4.962 -2.552 689 H ILE 80 H ILE 80 -3.493 -2.254 -4.892 690 HA ILE 80 HA ILE 80 -6.240 -1.220 -4.383 691 HB ILE 80 HB ILE 80 -4.196 -0.941 -6.596 692 1HG1 ILE 80 2HG1 ILE 80 -4.399 1.442 -6.012 693 2HG1 ILE 80 1HG1 ILE 80 -5.598 1.052 -4.788 694 1HG2 ILE 80 1HG2 ILE 80 -6.148 -1.014 -7.872 695 2HG2 ILE 80 2HG2 ILE 80 -6.065 0.701 -7.467 696 3HG2 ILE 80 3HG2 ILE 80 -7.142 -0.366 -6.565 697 1HD1 ILE 80 1HD1 ILE 80 -2.965 -0.361 -4.685 698 2HD1 ILE 80 2HD1 ILE 80 -4.039 0.115 -3.366 699 3HD1 ILE 80 3HD1 ILE 80 -3.025 1.322 -4.159 700 H VAL 81 H VAL 81 -7.705 -2.864 -4.597 701 HA VAL 81 HA VAL 81 -7.191 -4.954 -6.674 702 HB VAL 81 HB VAL 81 -8.922 -4.879 -4.187 703 1HG1 VAL 81 1HG1 VAL 81 -9.030 -6.576 -6.504 704 2HG1 VAL 81 2HG1 VAL 81 -10.000 -6.664 -5.034 705 3HG1 VAL 81 3HG1 VAL 81 -8.462 -7.523 -5.129 706 1HG2 VAL 81 1HG2 VAL 81 -6.852 -5.216 -3.277 707 2HG2 VAL 81 2HG2 VAL 81 -6.153 -5.728 -4.812 708 3HG2 VAL 81 3HG2 VAL 81 -7.092 -6.869 -3.847 709 H GLN 82 H GLN 82 -8.586 -5.136 -8.396 710 HA GLN 82 HA GLN 82 -10.937 -3.299 -8.438 711 1HB GLN 82 2HB GLN 82 -8.931 -3.598 -10.187 712 2HB GLN 82 1HB GLN 82 -9.992 -4.852 -10.804 713 1HG GLN 82 2HG GLN 82 -11.332 -2.317 -10.155 714 2HG GLN 82 1HG GLN 82 -10.185 -2.218 -11.487 715 1HE2 GLN 82 1HE2 GLN 82 -13.379 -2.613 -11.004 716 2HE2 GLN 82 2HE2 GLN 82 -13.766 -3.666 -12.277 717 H VAL 83 H VAL 83 -12.976 -4.174 -9.123 718 HA VAL 83 HA VAL 83 -13.142 -7.123 -8.740 719 HB VAL 83 HB VAL 83 -15.380 -6.751 -7.972 720 1HG1 VAL 83 1HG1 VAL 83 -15.008 -4.739 -6.324 721 2HG1 VAL 83 2HG1 VAL 83 -13.362 -4.769 -6.953 722 3HG1 VAL 83 3HG1 VAL 83 -14.027 -6.193 -6.152 723 1HG2 VAL 83 1HG2 VAL 83 -15.038 -3.904 -8.967 724 2HG2 VAL 83 2HG2 VAL 83 -16.477 -4.556 -8.173 725 3HG2 VAL 83 3HG2 VAL 83 -15.991 -5.172 -9.758 726 H ALA 84 H ALA 84 -14.621 -8.235 -10.207 727 HA ALA 84 HA ALA 84 -14.370 -7.327 -12.947 728 1HB ALA 84 1HB ALA 84 -14.642 -9.546 -13.084 729 2HB ALA 84 2HB ALA 84 -16.347 -9.313 -12.686 730 3HB ALA 84 3HB ALA 84 -15.174 -9.610 -11.402 731 HA PRO 85 HA PRO 85 -18.180 -5.251 -13.581 732 1HB PRO 85 2HB PRO 85 -19.330 -6.525 -15.714 733 2HB PRO 85 1HB PRO 85 -17.901 -5.497 -15.863 734 1HG PRO 85 2HG PRO 85 -18.094 -8.428 -15.808 735 2HG PRO 85 1HG PRO 85 -17.015 -7.391 -16.735 736 1HD PRO 85 2HD PRO 85 -16.261 -8.743 -14.468 737 2HD PRO 85 1HD PRO 85 -15.482 -7.260 -15.044 738 H GLY 86 H GLY 86 -20.222 -5.295 -12.688 739 1HA GLY 86 2HA GLY 86 -22.383 -6.419 -12.328 740 2HA GLY 86 1HA GLY 86 -21.515 -7.954 -12.270 741 H GLN 87 H GLN 87 -19.375 -7.032 -10.548 742 HA GLN 87 HA GLN 87 -20.910 -6.888 -7.984 743 1HB GLN 87 2HB GLN 87 -18.646 -7.735 -7.097 744 2HB GLN 87 1HB GLN 87 -19.554 -8.842 -8.123 745 1HG GLN 87 2HG GLN 87 -17.773 -7.035 -9.614 746 2HG GLN 87 1HG GLN 87 -16.928 -8.134 -8.524 747 1HE2 GLN 87 1HE2 GLN 87 -20.036 -9.071 -9.910 748 2HE2 GLN 87 2HE2 GLN 87 -19.416 -10.248 -10.963 749 H LYS 88 H LYS 88 -19.321 -5.873 -6.193 750 HA LYS 88 HA LYS 88 -17.555 -3.736 -6.924 751 1HB LYS 88 2HB LYS 88 -19.181 -1.862 -6.505 752 2HB LYS 88 1HB LYS 88 -19.561 -2.805 -7.946 753 1HG LYS 88 2HG LYS 88 -21.024 -4.226 -6.284 754 2HG LYS 88 1HG LYS 88 -20.953 -2.774 -5.285 755 1HD LYS 88 2HD LYS 88 -22.845 -2.321 -6.555 756 2HD LYS 88 1HD LYS 88 -21.598 -1.568 -7.551 757 1HE LYS 88 2HE LYS 88 -21.592 -3.352 -9.106 758 2HE LYS 88 1HE LYS 88 -22.394 -4.456 -7.971 759 1HZ LYS 88 1HZ LYS 88 -24.406 -3.492 -8.297 760 2HZ LYS 88 2HZ LYS 88 -23.737 -3.125 -9.814 761 3HZ LYS 88 3HZ LYS 88 -23.760 -1.951 -8.586 762 H ILE 89 H ILE 89 -16.362 -4.186 -5.059 763 HA ILE 89 HA ILE 89 -17.337 -4.906 -2.511 764 HB ILE 89 HB ILE 89 -14.900 -3.285 -3.324 765 1HG1 ILE 89 2HG1 ILE 89 -15.288 -6.265 -2.885 766 2HG1 ILE 89 1HG1 ILE 89 -15.120 -5.480 -4.456 767 1HG2 ILE 89 1HG2 ILE 89 -15.682 -4.673 -0.764 768 2HG2 ILE 89 2HG2 ILE 89 -15.041 -3.044 -0.979 769 3HG2 ILE 89 3HG2 ILE 89 -13.986 -4.443 -1.191 770 1HD1 ILE 89 1HD1 ILE 89 -13.054 -5.639 -2.249 771 2HD1 ILE 89 2HD1 ILE 89 -12.890 -4.577 -3.646 772 3HD1 ILE 89 3HD1 ILE 89 -12.947 -6.325 -3.869 773 H GLU 90 H GLU 90 -19.232 -3.561 -2.163 774 HA GLU 90 HA GLU 90 -19.122 -0.679 -2.046 775 1HB GLU 90 2HB GLU 90 -21.357 -0.978 -1.039 776 2HB GLU 90 1HB GLU 90 -21.152 -2.041 -2.431 777 1HG GLU 90 2HG GLU 90 -21.033 -3.951 -1.135 778 2HG GLU 90 1HG GLU 90 -20.380 -3.089 0.260 779 H ALA 91 H ALA 91 -17.976 -3.093 0.099 780 HA ALA 91 HA ALA 91 -18.480 -2.059 2.662 781 1HB ALA 91 1HB ALA 91 -17.374 -4.104 2.586 782 2HB ALA 91 2HB ALA 91 -16.031 -3.034 2.989 783 3HB ALA 91 3HB ALA 91 -16.264 -3.570 1.324 784 H LEU 92 H LEU 92 -16.298 -0.823 0.175 785 HA LEU 92 HA LEU 92 -15.258 1.201 2.127 786 1HB LEU 92 2HB LEU 92 -14.149 1.042 -0.621 787 2HB LEU 92 1HB LEU 92 -13.307 1.173 0.919 788 HG LEU 92 HG LEU 92 -14.506 -1.316 -0.308 789 1HD1 LEU 92 1HD1 LEU 92 -11.783 -1.503 0.624 790 2HD1 LEU 92 2HD1 LEU 92 -11.946 -0.107 -0.442 791 3HD1 LEU 92 3HD1 LEU 92 -12.401 -1.712 -1.015 792 1HD2 LEU 92 1HD2 LEU 92 -14.007 -0.606 2.476 793 2HD2 LEU 92 2HD2 LEU 92 -13.057 -2.009 1.989 794 3HD2 LEU 92 3HD2 LEU 92 -14.812 -2.030 1.819 795 H GLU 93 H GLU 93 -17.200 0.774 -0.746 796 HA GLU 93 HA GLU 93 -17.097 3.474 -1.701 797 1HB GLU 93 2HB GLU 93 -18.785 2.744 -3.166 798 2HB GLU 93 1HB GLU 93 -17.988 1.233 -2.739 799 1HG GLU 93 2HG GLU 93 -20.260 0.720 -2.446 800 2HG GLU 93 1HG GLU 93 -19.741 1.131 -0.813 801 H GLY 94 H GLY 94 -18.927 1.874 0.830 802 1HA GLY 94 2HA GLY 94 -20.624 4.264 1.254 803 2HA GLY 94 1HA GLY 94 -20.780 2.724 2.104 804 H LEU 95 H LEU 95 -17.752 2.748 2.469 805 HA LEU 95 HA LEU 95 -17.505 3.555 5.110 806 1HB LEU 95 2HB LEU 95 -15.808 2.974 2.832 807 2HB LEU 95 1HB LEU 95 -15.080 4.236 3.823 808 HG LEU 95 HG LEU 95 -15.037 2.863 5.752 809 1HD1 LEU 95 1HD1 LEU 95 -17.287 1.545 4.400 810 2HD1 LEU 95 2HD1 LEU 95 -16.935 1.678 6.123 811 3HD1 LEU 95 3HD1 LEU 95 -16.174 0.410 5.163 812 1HD2 LEU 95 1HD2 LEU 95 -14.574 0.667 3.790 813 2HD2 LEU 95 2HD2 LEU 95 -13.526 1.264 5.076 814 3HD2 LEU 95 3HD2 LEU 95 -13.648 2.150 3.556 815 H ILE 96 H ILE 96 -17.649 5.589 2.264 816 HA ILE 96 HA ILE 96 -16.484 7.988 2.949 817 HB ILE 96 HB ILE 96 -19.152 7.288 1.715 818 1HG1 ILE 96 2HG1 ILE 96 -17.016 6.711 0.545 819 2HG1 ILE 96 1HG1 ILE 96 -17.998 7.868 -0.353 820 1HG2 ILE 96 1HG2 ILE 96 -17.887 10.028 2.015 821 2HG2 ILE 96 2HG2 ILE 96 -19.463 9.515 2.619 822 3HG2 ILE 96 3HG2 ILE 96 -19.188 9.664 0.882 823 1HD1 ILE 96 1HD1 ILE 96 -16.393 9.446 -0.228 824 2HD1 ILE 96 2HD1 ILE 96 -15.322 8.191 0.393 825 3HD1 ILE 96 3HD1 ILE 96 -16.219 9.216 1.512 Start of MODEL 20 1 1H MET 1 1HT MET 1 -2.977 -13.633 12.927 2 2H MET 1 2HT MET 1 -4.047 -12.314 12.890 3 3H MET 1 3HT MET 1 -2.446 -12.098 13.415 4 HA MET 1 HA MET 1 -1.628 -11.943 11.322 5 1HB MET 1 2HB MET 1 -2.656 -13.449 9.531 6 2HB MET 1 1HB MET 1 -1.955 -14.301 10.914 7 1HG MET 1 2HG MET 1 -4.583 -13.776 11.694 8 2HG MET 1 1HG MET 1 -4.722 -14.201 9.987 9 1HE MET 1 1HE MET 1 -4.971 -16.512 13.359 10 2HE MET 1 2HE MET 1 -5.978 -16.935 11.976 11 3HE MET 1 3HE MET 1 -5.811 -15.246 12.451 12 H LYS 2 H LYS 2 -2.124 -10.389 9.751 13 HA LYS 2 HA LYS 2 -4.323 -8.671 9.869 14 1HB LYS 2 2HB LYS 2 -3.124 -9.649 7.254 15 2HB LYS 2 1HB LYS 2 -3.711 -8.032 7.621 16 1HG LYS 2 2HG LYS 2 -1.164 -9.357 8.550 17 2HG LYS 2 1HG LYS 2 -1.368 -7.798 7.753 18 1HD LYS 2 2HD LYS 2 -2.566 -6.967 9.792 19 2HD LYS 2 1HD LYS 2 -2.186 -8.495 10.588 20 1HE LYS 2 2HE LYS 2 0.280 -7.993 10.005 21 2HE LYS 2 1HE LYS 2 -0.271 -6.338 9.680 22 1HZ LYS 2 1HZ LYS 2 -0.734 -7.870 12.185 23 2HZ LYS 2 2HZ LYS 2 -1.327 -6.310 11.867 24 3HZ LYS 2 3HZ LYS 2 0.346 -6.576 12.002 25 H THR 3 H THR 3 -6.290 -9.742 10.221 26 HA THR 3 HA THR 3 -7.862 -11.641 9.796 27 HB THR 3 HB THR 3 -8.054 -9.114 8.192 28 HG1 THR 3 1HG THR 3 -8.514 -9.013 10.373 29 1HG2 THR 3 1HG2 THR 3 -9.912 -11.480 8.040 30 2HG2 THR 3 2HG2 THR 3 -9.205 -10.552 6.717 31 3HG2 THR 3 3HG2 THR 3 -10.473 -9.839 7.716 32 H ALA 4 H ALA 4 -7.202 -10.252 6.602 33 HA ALA 4 HA ALA 4 -7.582 -12.593 5.039 34 1HB ALA 4 1HB ALA 4 -6.135 -9.989 4.892 35 2HB ALA 4 2HB ALA 4 -7.439 -10.597 3.869 36 3HB ALA 4 3HB ALA 4 -5.789 -11.191 3.655 37 H TYR 5 H TYR 5 -6.455 -14.218 6.493 38 HA TYR 5 HA TYR 5 -4.472 -15.212 7.461 39 1HB TYR 5 2HB TYR 5 -3.286 -16.274 5.459 40 2HB TYR 5 1HB TYR 5 -5.024 -16.533 5.556 41 HD1 TYR 5 1HD TYR 5 -6.481 -14.658 4.340 42 HD2 TYR 5 2HD TYR 5 -2.386 -15.576 3.431 43 HE1 TYR 5 1HE TYR 5 -6.752 -13.657 2.100 44 HE2 TYR 5 2HE TYR 5 -2.664 -14.571 1.177 45 HH TYR 5 HH TYR 5 -4.979 -14.206 -0.393 46 H ASP 6 H ASP 6 -4.030 -12.549 7.726 47 HA ASP 6 HA ASP 6 -2.310 -11.019 8.064 48 1HB ASP 6 2HB ASP 6 -1.084 -12.739 9.025 49 2HB ASP 6 1HB ASP 6 -0.848 -13.566 7.488 50 H VAL 7 H VAL 7 -3.582 -10.569 5.757 51 HA VAL 7 HA VAL 7 -1.369 -9.852 3.867 52 HB VAL 7 HB VAL 7 -4.171 -10.568 3.015 53 1HG1 VAL 7 1HG1 VAL 7 -2.425 -9.327 1.585 54 2HG1 VAL 7 2HG1 VAL 7 -3.211 -10.738 0.867 55 3HG1 VAL 7 3HG1 VAL 7 -1.575 -10.874 1.516 56 1HG2 VAL 7 1HG2 VAL 7 -2.210 -12.661 2.542 57 2HG2 VAL 7 2HG2 VAL 7 -3.834 -12.766 3.229 58 3HG2 VAL 7 3HG2 VAL 7 -2.462 -12.382 4.265 59 H ILE 8 H ILE 8 -4.086 -8.871 2.413 60 HA ILE 8 HA ILE 8 -3.839 -6.130 2.762 61 HB ILE 8 HB ILE 8 -6.340 -7.798 2.298 62 1HG1 ILE 8 2HG1 ILE 8 -4.925 -6.714 -0.028 63 2HG1 ILE 8 1HG1 ILE 8 -3.952 -7.874 0.875 64 1HG2 ILE 8 1HG2 ILE 8 -6.103 -5.412 0.699 65 2HG2 ILE 8 2HG2 ILE 8 -5.890 -4.984 2.397 66 3HG2 ILE 8 3HG2 ILE 8 -7.354 -5.821 1.877 67 1HD1 ILE 8 1HD1 ILE 8 -5.175 -9.575 0.056 68 2HD1 ILE 8 2HD1 ILE 8 -6.098 -8.422 -0.908 69 3HD1 ILE 8 3HD1 ILE 8 -6.644 -8.853 0.711 70 H LEU 9 H LEU 9 -3.631 -5.408 4.914 71 HA LEU 9 HA LEU 9 -5.110 -6.283 7.165 72 1HB LEU 9 2HB LEU 9 -3.668 -3.765 6.358 73 2HB LEU 9 1HB LEU 9 -4.480 -3.858 7.921 74 HG LEU 9 HG LEU 9 -3.084 -6.270 7.731 75 1HD1 LEU 9 1HD1 LEU 9 -1.067 -4.134 7.157 76 2HD1 LEU 9 2HD1 LEU 9 -1.920 -4.862 5.796 77 3HD1 LEU 9 3HD1 LEU 9 -0.966 -5.873 6.880 78 1HD2 LEU 9 1HD2 LEU 9 -3.208 -5.201 9.818 79 2HD2 LEU 9 2HD2 LEU 9 -2.668 -3.655 9.165 80 3HD2 LEU 9 3HD2 LEU 9 -1.516 -4.972 9.378 81 H ALA 10 H ALA 10 -5.712 -2.931 6.832 82 HA ALA 10 HA ALA 10 -8.630 -3.496 6.497 83 1HB ALA 10 1HB ALA 10 -7.610 -0.884 7.490 84 2HB ALA 10 2HB ALA 10 -7.287 -2.285 8.512 85 3HB ALA 10 3HB ALA 10 -8.947 -1.867 8.089 86 HA PRO 11 HA PRO 11 -8.760 -1.141 2.801 87 1HB PRO 11 2HB PRO 11 -11.182 0.111 3.028 88 2HB PRO 11 1HB PRO 11 -11.020 -1.626 2.701 89 1HG PRO 11 2HG PRO 11 -11.646 -0.230 5.250 90 2HG PRO 11 1HG PRO 11 -12.275 -1.758 4.613 91 1HD PRO 11 2HD PRO 11 -10.342 -1.587 6.546 92 2HD PRO 11 1HD PRO 11 -10.530 -2.971 5.448 93 H VAL 12 H VAL 12 -7.872 0.812 2.208 94 HA VAL 12 HA VAL 12 -7.645 2.942 4.266 95 HB VAL 12 HB VAL 12 -5.593 2.324 3.211 96 1HG1 VAL 12 1HG1 VAL 12 -5.984 1.135 1.291 97 2HG1 VAL 12 2HG1 VAL 12 -5.660 2.697 0.539 98 3HG1 VAL 12 3HG1 VAL 12 -7.324 2.171 0.802 99 1HG2 VAL 12 1HG2 VAL 12 -6.109 4.809 3.354 100 2HG2 VAL 12 2HG2 VAL 12 -6.539 4.736 1.644 101 3HG2 VAL 12 3HG2 VAL 12 -4.891 4.366 2.157 102 H LEU 13 H LEU 13 -9.216 4.497 4.247 103 HA LEU 13 HA LEU 13 -10.645 5.083 1.697 104 1HB LEU 13 2HB LEU 13 -11.182 5.781 4.603 105 2HB LEU 13 1HB LEU 13 -12.261 6.157 3.262 106 HG LEU 13 HG LEU 13 -13.115 4.138 4.176 107 1HD1 LEU 13 1HD1 LEU 13 -12.694 4.179 1.657 108 2HD1 LEU 13 2HD1 LEU 13 -12.898 2.581 2.375 109 3HD1 LEU 13 3HD1 LEU 13 -11.284 3.168 1.971 110 1HD2 LEU 13 1HD2 LEU 13 -11.856 2.499 5.169 111 2HD2 LEU 13 2HD2 LEU 13 -10.658 3.790 5.263 112 3HD2 LEU 13 3HD2 LEU 13 -10.577 2.605 3.960 113 H SER 14 H SER 14 -9.595 6.685 0.564 114 HA SER 14 HA SER 14 -9.246 9.315 1.841 115 1HB SER 14 2HB SER 14 -6.815 8.189 0.510 116 2HB SER 14 1HB SER 14 -6.928 9.344 1.835 117 HG SER 14 HG SER 14 -7.067 7.743 3.228 118 H GLU 15 H GLU 15 -8.617 10.963 0.165 119 HA GLU 15 HA GLU 15 -10.131 10.985 -2.143 120 1HB GLU 15 2HB GLU 15 -7.370 12.107 -1.579 121 2HB GLU 15 1HB GLU 15 -8.325 12.574 -2.987 122 1HG GLU 15 2HG GLU 15 -9.790 13.812 -1.750 123 2HG GLU 15 1HG GLU 15 -9.750 12.686 -0.393 124 H LYS 16 H LYS 16 -6.696 9.941 -2.013 125 HA LYS 16 HA LYS 16 -6.462 9.086 -4.702 126 1HB LYS 16 2HB LYS 16 -5.195 8.028 -2.152 127 2HB LYS 16 1HB LYS 16 -4.572 7.751 -3.779 128 1HG LYS 16 2HG LYS 16 -3.597 9.783 -3.839 129 2HG LYS 16 1HG LYS 16 -5.080 10.577 -3.310 130 1HD LYS 16 2HD LYS 16 -3.968 10.993 -1.381 131 2HD LYS 16 1HD LYS 16 -4.239 9.289 -1.015 132 1HE LYS 16 2HE LYS 16 -2.072 8.664 -1.726 133 2HE LYS 16 1HE LYS 16 -1.851 10.162 -2.652 134 1HZ LYS 16 1HZ LYS 16 -2.401 10.302 0.235 135 2HZ LYS 16 2HZ LYS 16 -1.580 11.411 -0.756 136 3HZ LYS 16 3HZ LYS 16 -0.824 9.963 -0.288 137 H ALA 17 H ALA 17 -7.619 7.337 -1.825 138 HA ALA 17 HA ALA 17 -8.153 4.902 -3.421 139 1HB ALA 17 1HB ALA 17 -9.079 4.345 -0.969 140 2HB ALA 17 2HB ALA 17 -8.081 5.738 -0.550 141 3HB ALA 17 3HB ALA 17 -7.350 4.330 -1.322 142 H TYR 18 H TYR 18 -9.629 7.571 -3.710 143 HA TYR 18 HA TYR 18 -12.405 6.510 -3.285 144 1HB TYR 18 2HB TYR 18 -11.041 8.916 -2.395 145 2HB TYR 18 1HB TYR 18 -12.441 9.329 -3.383 146 HD1 TYR 18 1HD TYR 18 -13.688 10.246 -1.495 147 HD2 TYR 18 2HD TYR 18 -12.314 6.178 -1.476 148 HE1 TYR 18 1HE TYR 18 -15.192 9.744 0.414 149 HE2 TYR 18 2HE TYR 18 -13.819 5.673 0.428 150 HH TYR 18 HH TYR 18 -14.979 6.796 2.194 151 H ALA 19 H ALA 19 -10.780 9.164 -5.065 152 HA ALA 19 HA ALA 19 -12.603 9.134 -7.275 153 1HB ALA 19 1HB ALA 19 -11.167 11.031 -6.698 154 2HB ALA 19 2HB ALA 19 -10.778 10.494 -8.332 155 3HB ALA 19 3HB ALA 19 -9.724 10.059 -6.986 156 H GLY 20 H GLY 20 -10.134 6.974 -6.356 157 1HA GLY 20 2HA GLY 20 -9.800 5.948 -9.139 158 2HA GLY 20 1HA GLY 20 -8.723 5.578 -7.791 159 H PHE 21 H PHE 21 -10.676 5.028 -5.832 160 HA PHE 21 HA PHE 21 -11.356 2.284 -6.506 161 1HB PHE 21 2HB PHE 21 -11.016 2.407 -4.252 162 2HB PHE 21 1HB PHE 21 -11.273 4.140 -4.242 163 HD1 PHE 21 1HD PHE 21 -13.418 1.135 -4.962 164 HD2 PHE 21 2HD PHE 21 -12.934 4.802 -2.788 165 HE1 PHE 21 1HE PHE 21 -15.650 0.814 -3.927 166 HE2 PHE 21 2HE PHE 21 -15.166 4.483 -1.748 167 HZ PHE 21 HZ PHE 21 -16.524 2.488 -2.318 168 H ALA 22 H ALA 22 -12.996 5.378 -6.454 169 HA ALA 22 HA ALA 22 -15.683 4.779 -6.368 170 1HB ALA 22 1HB ALA 22 -14.667 7.006 -6.611 171 2HB ALA 22 2HB ALA 22 -15.917 6.762 -7.832 172 3HB ALA 22 3HB ALA 22 -14.215 6.621 -8.272 173 H GLU 23 H GLU 23 -13.413 3.892 -8.875 174 HA GLU 23 HA GLU 23 -15.534 3.206 -10.816 175 1HB GLU 23 2HB GLU 23 -13.060 4.158 -11.104 176 2HB GLU 23 1HB GLU 23 -12.652 2.443 -11.099 177 1HG GLU 23 2HG GLU 23 -13.097 2.628 -13.337 178 2HG GLU 23 1HG GLU 23 -14.759 2.396 -12.792 179 H GLY 24 H GLY 24 -13.843 1.675 -8.242 180 1HA GLY 24 2HA GLY 24 -15.004 -0.565 -7.710 181 2HA GLY 24 1HA GLY 24 -14.467 -0.996 -9.328 182 H LYS 25 H LYS 25 -12.121 0.986 -8.215 183 HA LYS 25 HA LYS 25 -10.278 -1.233 -7.684 184 1HB LYS 25 2HB LYS 25 -10.108 1.791 -7.811 185 2HB LYS 25 1HB LYS 25 -8.705 0.789 -7.446 186 1HG LYS 25 2HG LYS 25 -10.073 -0.283 -9.745 187 2HG LYS 25 1HG LYS 25 -9.741 1.429 -10.003 188 1HD LYS 25 2HD LYS 25 -7.362 0.881 -9.112 189 2HD LYS 25 1HD LYS 25 -7.789 -0.798 -9.446 190 1HE LYS 25 2HE LYS 25 -8.428 -0.038 -11.804 191 2HE LYS 25 1HE LYS 25 -7.624 1.497 -11.418 192 1HZ LYS 25 1HZ LYS 25 -5.843 0.303 -12.166 193 2HZ LYS 25 2HZ LYS 25 -6.476 -1.191 -11.660 194 3HZ LYS 25 3HZ LYS 25 -5.789 -0.127 -10.526 195 H TYR 26 H TYR 26 -9.253 -1.627 -5.633 196 HA TYR 26 HA TYR 26 -10.436 -0.119 -3.328 197 1HB TYR 26 2HB TYR 26 -9.811 -3.075 -3.563 198 2HB TYR 26 1HB TYR 26 -10.488 -2.284 -2.141 199 HD1 TYR 26 1HD TYR 26 -12.272 -0.302 -3.649 200 HD2 TYR 26 2HD TYR 26 -11.661 -4.532 -4.065 201 HE1 TYR 26 1HE TYR 26 -14.549 -0.538 -4.603 202 HE2 TYR 26 2HE TYR 26 -13.938 -4.767 -5.014 203 HH TYR 26 HH TYR 26 -15.612 -2.583 -6.336 204 H THR 27 H THR 27 -8.751 1.100 -2.625 205 HA THR 27 HA THR 27 -5.988 0.225 -2.649 206 HB THR 27 HB THR 27 -7.168 2.486 -1.038 207 HG1 THR 27 1HG THR 27 -7.071 2.139 -3.806 208 1HG2 THR 27 1HG2 THR 27 -5.079 3.546 -1.459 209 2HG2 THR 27 2HG2 THR 27 -4.682 2.411 -2.750 210 3HG2 THR 27 3HG2 THR 27 -4.681 1.872 -1.071 211 H PHE 28 H PHE 28 -5.100 -1.048 -1.063 212 HA PHE 28 HA PHE 28 -6.428 -1.093 1.623 213 1HB PHE 28 2HB PHE 28 -6.229 -3.124 -0.433 214 2HB PHE 28 1HB PHE 28 -5.429 -3.666 1.044 215 HD1 PHE 28 1HD PHE 28 -8.576 -3.154 -0.596 216 HD2 PHE 28 2HD PHE 28 -6.699 -3.399 3.260 217 HE1 PHE 28 1HE PHE 28 -10.787 -3.568 0.455 218 HE2 PHE 28 2HE PHE 28 -8.910 -3.814 4.310 219 HZ PHE 28 HZ PHE 28 -10.948 -3.898 2.908 220 H TRP 29 H TRP 29 -4.950 -2.007 3.311 221 HA TRP 29 HA TRP 29 -2.118 -1.257 2.747 222 1HB TRP 29 2HB TRP 29 -3.878 -1.478 5.198 223 2HB TRP 29 1HB TRP 29 -2.123 -1.380 5.348 224 HD1 TRP 29 HD TRP 29 -4.899 0.814 5.550 225 HE1 TRP 29 1HE TRP 29 -4.321 3.227 4.852 226 HE3 TRP 29 3HE TRP 29 -0.486 -0.010 3.119 227 HZ2 TRP 29 2HZ TRP 29 -2.254 4.624 3.445 228 HZ3 TRP 29 3HZ TRP 29 0.768 1.875 2.108 229 HH2 TRP 29 HH TRP 29 -0.111 4.189 2.269 230 H VAL 30 H VAL 30 -0.771 -2.993 2.404 231 HA VAL 30 HA VAL 30 -1.329 -5.507 3.868 232 HB VAL 30 HB VAL 30 -2.492 -5.485 1.696 233 1HG1 VAL 30 1HG1 VAL 30 -1.424 -5.104 -0.331 234 2HG1 VAL 30 2HG1 VAL 30 0.151 -5.587 0.300 235 3HG1 VAL 30 3HG1 VAL 30 -0.520 -4.009 0.715 236 1HG2 VAL 30 1HG2 VAL 30 -1.411 -7.503 2.768 237 2HG2 VAL 30 2HG2 VAL 30 -0.142 -7.324 1.556 238 3HG2 VAL 30 3HG2 VAL 30 -1.810 -7.626 1.057 239 H HIS 31 H HIS 31 0.457 -7.052 3.599 240 HA HIS 31 HA HIS 31 3.032 -5.793 4.039 241 1HB HIS 31 2HB HIS 31 1.736 -8.377 4.260 242 2HB HIS 31 1HB HIS 31 3.342 -8.555 3.554 243 HD1 HIS 31 1HD HIS 31 1.753 -6.695 6.492 244 HD2 HIS 31 2HD HIS 31 5.322 -8.593 5.474 245 HE1 HIS 31 1HE HIS 31 3.220 -6.616 8.555 246 HA PRO 32 HA PRO 32 4.739 -5.944 0.001 247 1HB PRO 32 2HB PRO 32 7.276 -6.817 0.455 248 2HB PRO 32 1HB PRO 32 6.715 -5.215 0.942 249 1HG PRO 32 2HG PRO 32 7.102 -7.642 2.591 250 2HG PRO 32 1HG PRO 32 7.388 -5.944 2.994 251 1HD PRO 32 2HD PRO 32 5.185 -7.380 3.795 252 2HD PRO 32 1HD PRO 32 5.234 -5.610 3.655 253 H LYS 33 H LYS 33 5.827 -8.732 1.813 254 HA LYS 33 HA LYS 33 6.314 -10.622 -0.141 255 1HB LYS 33 2HB LYS 33 5.541 -12.159 1.741 256 2HB LYS 33 1HB LYS 33 6.689 -10.895 2.200 257 1HG LYS 33 2HG LYS 33 5.215 -9.914 3.586 258 2HG LYS 33 1HG LYS 33 3.969 -9.910 2.343 259 1HD LYS 33 2HD LYS 33 2.983 -11.335 3.886 260 2HD LYS 33 1HD LYS 33 3.868 -12.507 2.910 261 1HE LYS 33 2HE LYS 33 4.980 -11.232 5.434 262 2HE LYS 33 1HE LYS 33 4.232 -12.841 5.371 263 1HZ LYS 33 1HZ LYS 33 6.679 -11.894 4.010 264 2HZ LYS 33 2HZ LYS 33 5.817 -13.237 3.426 265 3HZ LYS 33 3HZ LYS 33 6.479 -13.264 4.991 266 H ALA 34 H ALA 34 3.214 -9.266 0.778 267 HA ALA 34 HA ALA 34 1.496 -11.363 -0.168 268 1HB ALA 34 1HB ALA 34 -0.197 -9.705 0.109 269 2HB ALA 34 2HB ALA 34 0.936 -8.390 -0.206 270 3HB ALA 34 3HB ALA 34 1.035 -9.297 1.303 271 H THR 35 H THR 35 1.931 -12.099 -2.266 272 HA THR 35 HA THR 35 2.711 -10.415 -4.466 273 HB THR 35 HB THR 35 1.739 -12.591 -5.670 274 HG1 THR 35 1HG THR 35 1.341 -14.207 -4.320 275 1HG2 THR 35 1HG2 THR 35 4.113 -12.065 -5.495 276 2HG2 THR 35 2HG2 THR 35 3.858 -13.757 -5.070 277 3HG2 THR 35 3HG2 THR 35 4.125 -12.560 -3.802 278 H LYS 36 H LYS 36 1.427 -9.455 -6.077 279 HA LYS 36 HA LYS 36 -1.061 -8.369 -5.591 280 1HB LYS 36 2HB LYS 36 0.196 -9.416 -8.141 281 2HB LYS 36 1HB LYS 36 -1.275 -8.444 -8.142 282 1HG LYS 36 2HG LYS 36 0.005 -6.710 -6.794 283 2HG LYS 36 1HG LYS 36 1.465 -7.640 -7.137 284 1HD LYS 36 2HD LYS 36 1.605 -6.766 -9.207 285 2HD LYS 36 1HD LYS 36 -0.057 -7.236 -9.564 286 1HE LYS 36 2HE LYS 36 -0.730 -5.176 -8.123 287 2HE LYS 36 1HE LYS 36 0.947 -4.651 -8.372 288 1HZ LYS 36 1HZ LYS 36 0.688 -4.815 -10.714 289 2HZ LYS 36 2HZ LYS 36 -0.632 -3.912 -10.140 290 3HZ LYS 36 3HZ LYS 36 -0.837 -5.542 -10.570 291 H THR 37 H THR 37 -0.403 -11.619 -6.882 292 HA THR 37 HA THR 37 -3.138 -12.341 -7.395 293 HB THR 37 HB THR 37 -1.052 -14.294 -6.620 294 HG1 THR 37 1HG THR 37 -1.012 -12.642 -8.913 295 1HG2 THR 37 1HG2 THR 37 -3.106 -14.071 -8.815 296 2HG2 THR 37 2HG2 THR 37 -3.119 -15.182 -7.443 297 3HG2 THR 37 3HG2 THR 37 -1.922 -15.376 -8.724 298 H GLU 38 H GLU 38 -0.963 -13.195 -4.689 299 HA GLU 38 HA GLU 38 -2.811 -14.636 -3.121 300 1HB GLU 38 2HB GLU 38 -0.353 -12.987 -2.642 301 2HB GLU 38 1HB GLU 38 -1.262 -13.563 -1.243 302 1HG GLU 38 2HG GLU 38 -0.291 -15.346 -3.495 303 2HG GLU 38 1HG GLU 38 0.548 -15.142 -1.957 304 H ILE 39 H ILE 39 -2.160 -11.119 -3.152 305 HA ILE 39 HA ILE 39 -3.892 -10.346 -1.044 306 HB ILE 39 HB ILE 39 -2.828 -9.122 -3.581 307 1HG1 ILE 39 2HG1 ILE 39 -2.549 -8.368 -0.656 308 2HG1 ILE 39 1HG1 ILE 39 -1.426 -9.412 -1.527 309 1HG2 ILE 39 1HG2 ILE 39 -5.169 -8.217 -3.163 310 2HG2 ILE 39 2HG2 ILE 39 -3.885 -7.010 -3.127 311 3HG2 ILE 39 3HG2 ILE 39 -4.571 -7.608 -1.621 312 1HD1 ILE 39 1HD1 ILE 39 -2.101 -6.696 -2.626 313 2HD1 ILE 39 2HD1 ILE 39 -0.655 -7.671 -2.886 314 3HD1 ILE 39 3HD1 ILE 39 -0.900 -6.853 -1.344 315 H LYS 40 H LYS 40 -4.550 -11.252 -4.377 316 HA LYS 40 HA LYS 40 -7.218 -10.262 -4.639 317 1HB LYS 40 2HB LYS 40 -5.600 -11.168 -6.383 318 2HB LYS 40 1HB LYS 40 -6.019 -12.783 -5.817 319 1HG LYS 40 2HG LYS 40 -8.183 -12.667 -6.633 320 2HG LYS 40 1HG LYS 40 -8.242 -10.909 -6.520 321 1HD LYS 40 2HD LYS 40 -8.014 -11.135 -8.809 322 2HD LYS 40 1HD LYS 40 -6.311 -11.086 -8.349 323 1HE LYS 40 2HE LYS 40 -6.484 -13.665 -8.147 324 2HE LYS 40 1HE LYS 40 -7.984 -13.495 -9.081 325 1HZ LYS 40 1HZ LYS 40 -6.875 -12.529 -10.854 326 2HZ LYS 40 2HZ LYS 40 -5.778 -13.728 -10.359 327 3HZ LYS 40 3HZ LYS 40 -5.521 -12.105 -9.924 328 H ASN 41 H ASN 41 -6.021 -13.473 -3.625 329 HA ASN 41 HA ASN 41 -8.510 -14.761 -3.267 330 1HB ASN 41 2HB ASN 41 -5.760 -15.019 -2.068 331 2HB ASN 41 1HB ASN 41 -7.059 -16.108 -1.581 332 1HD2 ASN 41 1HD2 ASN 41 -4.768 -15.402 -4.101 333 2HD2 ASN 41 2HD2 ASN 41 -5.270 -16.611 -5.181 334 H ALA 42 H ALA 42 -6.748 -12.645 -0.983 335 HA ALA 42 HA ALA 42 -8.341 -13.292 1.311 336 1HB ALA 42 1HB ALA 42 -6.917 -11.828 2.289 337 2HB ALA 42 2HB ALA 42 -7.342 -10.538 1.160 338 3HB ALA 42 3HB ALA 42 -6.128 -11.739 0.712 339 H VAL 43 H VAL 43 -8.667 -10.513 -0.972 340 HA VAL 43 HA VAL 43 -11.140 -9.662 0.319 341 HB VAL 43 HB VAL 43 -11.215 -8.167 -1.754 342 1HG1 VAL 43 1HG1 VAL 43 -9.289 -6.832 -0.986 343 2HG1 VAL 43 2HG1 VAL 43 -8.687 -8.225 -0.084 344 3HG1 VAL 43 3HG1 VAL 43 -10.213 -7.466 0.376 345 1HG2 VAL 43 1HG2 VAL 43 -9.668 -10.017 -2.927 346 2HG2 VAL 43 2HG2 VAL 43 -8.398 -8.975 -2.286 347 3HG2 VAL 43 3HG2 VAL 43 -9.609 -8.316 -3.386 348 H GLU 44 H GLU 44 -10.347 -11.690 -2.486 349 HA GLU 44 HA GLU 44 -12.896 -11.764 -3.733 350 1HB GLU 44 2HB GLU 44 -10.398 -13.179 -3.766 351 2HB GLU 44 1HB GLU 44 -11.706 -14.361 -3.765 352 1HG GLU 44 2HG GLU 44 -12.213 -12.086 -5.548 353 2HG GLU 44 1HG GLU 44 -10.781 -13.013 -5.998 354 H THR 45 H THR 45 -11.573 -13.929 -1.203 355 HA THR 45 HA THR 45 -14.163 -15.218 -0.754 356 HB THR 45 HB THR 45 -12.888 -16.468 0.897 357 HG1 THR 45 1HG THR 45 -10.864 -15.764 1.536 358 1HG2 THR 45 1HG2 THR 45 -11.029 -15.794 -1.396 359 2HG2 THR 45 2HG2 THR 45 -12.424 -16.863 -1.546 360 3HG2 THR 45 3HG2 THR 45 -11.088 -17.302 -0.483 361 H ALA 46 H ALA 46 -12.081 -12.950 1.072 362 HA ALA 46 HA ALA 46 -13.733 -12.647 3.362 363 1HB ALA 46 1HB ALA 46 -12.405 -10.628 3.705 364 2HB ALA 46 2HB ALA 46 -11.976 -10.583 1.995 365 3HB ALA 46 3HB ALA 46 -11.365 -11.880 3.023 366 H PHE 47 H PHE 47 -13.455 -10.263 0.683 367 HA PHE 47 HA PHE 47 -15.922 -8.941 1.423 368 1HB PHE 47 2HB PHE 47 -13.960 -8.853 -0.853 369 2HB PHE 47 1HB PHE 47 -15.464 -7.940 -0.958 370 HD1 PHE 47 1HD PHE 47 -15.918 -7.137 1.829 371 HD2 PHE 47 2HD PHE 47 -12.273 -7.251 -0.445 372 HE1 PHE 47 1HE PHE 47 -14.955 -5.383 3.288 373 HE2 PHE 47 2HE PHE 47 -11.313 -5.490 1.015 374 HZ PHE 47 HZ PHE 47 -12.657 -4.559 2.881 375 H LYS 48 H LYS 48 -15.159 -11.686 -0.536 376 HA LYS 48 HA LYS 48 -16.571 -13.178 -1.688 377 1HB LYS 48 2HB LYS 48 -18.167 -11.749 0.248 378 2HB LYS 48 1HB LYS 48 -19.129 -12.058 -1.197 379 1HG LYS 48 2HG LYS 48 -17.641 -14.420 -0.676 380 2HG LYS 48 1HG LYS 48 -18.349 -13.909 0.856 381 1HD LYS 48 2HD LYS 48 -19.961 -15.325 -0.249 382 2HD LYS 48 1HD LYS 48 -20.559 -13.668 -0.342 383 1HE LYS 48 2HE LYS 48 -20.777 -14.116 -2.578 384 2HE LYS 48 1HE LYS 48 -19.022 -13.849 -2.630 385 1HZ LYS 48 1HZ LYS 48 -19.119 -15.978 -3.421 386 2HZ LYS 48 2HZ LYS 48 -20.516 -16.372 -2.537 387 3HZ LYS 48 3HZ LYS 48 -19.006 -16.307 -1.760 388 H VAL 49 H VAL 49 -15.464 -10.980 -3.065 389 HA VAL 49 HA VAL 49 -17.630 -10.354 -5.026 390 HB VAL 49 HB VAL 49 -16.259 -8.620 -3.415 391 1HG1 VAL 49 1HG1 VAL 49 -14.439 -7.630 -4.434 392 2HG1 VAL 49 2HG1 VAL 49 -14.936 -8.137 -6.048 393 3HG1 VAL 49 3HG1 VAL 49 -14.206 -9.302 -4.943 394 1HG2 VAL 49 1HG2 VAL 49 -17.202 -8.003 -6.210 395 2HG2 VAL 49 2HG2 VAL 49 -17.139 -6.892 -4.843 396 3HG2 VAL 49 3HG2 VAL 49 -18.271 -8.242 -4.830 397 H LYS 50 H LYS 50 -16.008 -9.339 -7.027 398 HA LYS 50 HA LYS 50 -14.289 -11.695 -7.737 399 1HB LYS 50 2HB LYS 50 -16.617 -10.896 -8.918 400 2HB LYS 50 1HB LYS 50 -15.436 -10.010 -9.884 401 1HG LYS 50 2HG LYS 50 -14.647 -12.784 -9.336 402 2HG LYS 50 1HG LYS 50 -16.131 -12.649 -10.283 403 1HD LYS 50 2HD LYS 50 -14.231 -10.727 -11.254 404 2HD LYS 50 1HD LYS 50 -13.457 -12.311 -11.186 405 1HE LYS 50 2HE LYS 50 -16.230 -12.238 -12.287 406 2HE LYS 50 1HE LYS 50 -14.941 -11.560 -13.302 407 1HZ LYS 50 1HZ LYS 50 -15.102 -14.272 -12.125 408 2HZ LYS 50 2HZ LYS 50 -13.634 -13.619 -12.677 409 3HZ LYS 50 3HZ LYS 50 -14.924 -13.848 -13.758 410 H VAL 51 H VAL 51 -12.205 -10.937 -7.419 411 HA VAL 51 HA VAL 51 -11.471 -8.151 -7.921 412 HB VAL 51 HB VAL 51 -9.924 -10.694 -7.331 413 1HG1 VAL 51 1HG1 VAL 51 -9.070 -7.868 -7.820 414 2HG1 VAL 51 2HG1 VAL 51 -8.238 -9.373 -8.211 415 3HG1 VAL 51 3HG1 VAL 51 -8.242 -8.772 -6.552 416 1HG2 VAL 51 1HG2 VAL 51 -10.481 -10.313 -5.179 417 2HG2 VAL 51 2HG2 VAL 51 -11.566 -9.036 -5.729 418 3HG2 VAL 51 3HG2 VAL 51 -9.903 -8.651 -5.286 419 H VAL 52 H VAL 52 -11.111 -7.405 -9.973 420 HA VAL 52 HA VAL 52 -10.363 -9.373 -12.088 421 HB VAL 52 HB VAL 52 -12.416 -7.969 -12.301 422 1HG1 VAL 52 1HG1 VAL 52 -11.814 -5.508 -12.974 423 2HG1 VAL 52 2HG1 VAL 52 -10.368 -5.793 -12.001 424 3HG1 VAL 52 3HG1 VAL 52 -11.963 -5.931 -11.275 425 1HG2 VAL 52 1HG2 VAL 52 -10.729 -6.797 -14.391 426 2HG2 VAL 52 2HG2 VAL 52 -12.123 -7.877 -14.538 427 3HG2 VAL 52 3HG2 VAL 52 -10.519 -8.538 -14.202 428 H LYS 53 H LYS 53 -8.762 -7.400 -10.013 429 HA LYS 53 HA LYS 53 -6.273 -7.435 -11.318 430 1HB LYS 53 2HB LYS 53 -8.180 -5.501 -12.374 431 2HB LYS 53 1HB LYS 53 -6.708 -4.710 -11.809 432 1HG LYS 53 2HG LYS 53 -5.746 -6.949 -13.128 433 2HG LYS 53 1HG LYS 53 -7.108 -6.446 -14.132 434 1HD LYS 53 2HD LYS 53 -6.060 -4.551 -14.813 435 2HD LYS 53 1HD LYS 53 -5.427 -4.217 -13.202 436 1HE LYS 53 2HE LYS 53 -3.798 -6.188 -13.637 437 2HE LYS 53 1HE LYS 53 -4.251 -5.997 -15.342 438 1HZ LYS 53 1HZ LYS 53 -2.524 -4.493 -15.124 439 2HZ LYS 53 2HZ LYS 53 -2.959 -4.051 -13.542 440 3HZ LYS 53 3HZ LYS 53 -3.878 -3.505 -14.864 441 H VAL 54 H VAL 54 -5.000 -7.199 -9.520 442 HA VAL 54 HA VAL 54 -5.809 -5.149 -7.496 443 HB VAL 54 HB VAL 54 -5.104 -7.929 -7.345 444 1HG1 VAL 54 1HG1 VAL 54 -2.766 -7.266 -7.074 445 2HG1 VAL 54 2HG1 VAL 54 -3.401 -7.787 -5.513 446 3HG1 VAL 54 3HG1 VAL 54 -3.221 -6.065 -5.863 447 1HG2 VAL 54 1HG2 VAL 54 -5.363 -6.242 -4.900 448 2HG2 VAL 54 2HG2 VAL 54 -6.165 -7.761 -5.307 449 3HG2 VAL 54 3HG2 VAL 54 -6.722 -6.251 -6.025 450 H ASN 55 H ASN 55 -4.513 -3.345 -7.537 451 HA ASN 55 HA ASN 55 -1.724 -3.652 -8.567 452 1HB ASN 55 2HB ASN 55 -3.859 -1.843 -9.084 453 2HB ASN 55 1HB ASN 55 -2.609 -0.928 -8.240 454 1HD2 ASN 55 1HD2 ASN 55 -2.887 -3.319 -10.934 455 2HD2 ASN 55 2HD2 ASN 55 -1.666 -2.614 -11.878 456 H THR 56 H THR 56 -0.285 -3.822 -6.914 457 HA THR 56 HA THR 56 -0.865 -2.307 -4.401 458 HB THR 56 HB THR 56 0.019 -4.143 -3.232 459 HG1 THR 56 1HG THR 56 1.210 -5.773 -4.628 460 1HG2 THR 56 1HG2 THR 56 -2.049 -4.836 -4.325 461 2HG2 THR 56 2HG2 THR 56 -0.926 -6.194 -4.270 462 3HG2 THR 56 3HG2 THR 56 -1.155 -5.302 -5.772 463 H LEU 57 H LEU 57 0.727 -0.931 -3.644 464 HA LEU 57 HA LEU 57 3.375 -0.941 -5.041 465 1HB LEU 57 2HB LEU 57 3.057 1.644 -4.920 466 2HB LEU 57 1HB LEU 57 2.170 0.760 -6.159 467 HG LEU 57 HG LEU 57 0.822 1.018 -3.529 468 1HD1 LEU 57 1HD1 LEU 57 1.185 3.257 -3.419 469 2HD1 LEU 57 2HD1 LEU 57 0.051 3.354 -4.768 470 3HD1 LEU 57 3HD1 LEU 57 1.788 3.329 -5.075 471 1HD2 LEU 57 1HD2 LEU 57 -0.677 0.126 -4.998 472 2HD2 LEU 57 2HD2 LEU 57 0.192 0.745 -6.403 473 3HD2 LEU 57 3HD2 LEU 57 -0.905 1.798 -5.510 474 H HIS 58 H HIS 58 5.111 -0.359 -3.696 475 HA HIS 58 HA HIS 58 4.671 -0.515 -0.820 476 1HB HIS 58 2HB HIS 58 6.672 -1.159 -2.528 477 2HB HIS 58 1HB HIS 58 7.258 0.406 -1.963 478 HD1 HIS 58 1HD HIS 58 8.732 -2.180 -1.124 479 HD2 HIS 58 2HD HIS 58 5.720 -0.395 1.139 480 HE1 HIS 58 1HE HIS 58 9.069 -2.961 1.261 481 H VAL 59 H VAL 59 3.933 1.244 0.298 482 HA VAL 59 HA VAL 59 4.768 3.972 -0.612 483 HB VAL 59 HB VAL 59 2.690 4.006 1.377 484 1HG1 VAL 59 1HG1 VAL 59 1.454 5.129 -0.402 485 2HG1 VAL 59 2HG1 VAL 59 2.577 4.505 -1.611 486 3HG1 VAL 59 3HG1 VAL 59 3.131 5.676 -0.414 487 1HG2 VAL 59 1HG2 VAL 59 0.928 2.775 0.082 488 2HG2 VAL 59 2HG2 VAL 59 2.144 1.704 0.777 489 3HG2 VAL 59 3HG2 VAL 59 2.199 2.104 -0.940 490 H ARG 60 H ARG 60 6.330 4.899 0.642 491 HA ARG 60 HA ARG 60 6.363 4.260 3.570 492 1HB ARG 60 2HB ARG 60 8.647 4.349 1.574 493 2HB ARG 60 1HB ARG 60 8.875 4.246 3.320 494 1HG ARG 60 2HG ARG 60 8.951 1.994 2.610 495 2HG ARG 60 1HG ARG 60 7.303 2.194 3.204 496 1HD ARG 60 2HD ARG 60 6.501 1.613 1.169 497 2HD ARG 60 1HD ARG 60 7.375 2.974 0.436 498 HE ARG 60 HE ARG 60 8.571 0.266 0.882 499 1HH1 ARG 60 1HH2 ARG 60 9.242 3.465 0.031 500 2HH1 ARG 60 2HH2 ARG 60 10.131 3.073 -1.403 501 1HH2 ARG 60 1HH1 ARG 60 9.375 -0.307 -1.268 502 2HH2 ARG 60 2HH1 ARG 60 10.207 0.939 -2.138 503 H GLY 61 H GLY 61 7.685 5.946 4.786 504 1HA GLY 61 2HA GLY 61 6.738 8.527 4.514 505 2HA GLY 61 1HA GLY 61 8.317 8.180 5.219 506 H LYS 62 H LYS 62 7.445 10.429 3.448 507 HA LYS 62 HA LYS 62 9.722 10.275 1.568 508 1HB LYS 62 2HB LYS 62 7.049 9.623 0.839 509 2HB LYS 62 1HB LYS 62 7.419 11.184 0.105 510 1HG LYS 62 2HG LYS 62 8.961 10.294 -1.312 511 2HG LYS 62 1HG LYS 62 9.592 9.195 -0.084 512 1HD LYS 62 2HD LYS 62 8.047 7.538 -0.570 513 2HD LYS 62 1HD LYS 62 6.848 8.686 -1.168 514 1HE LYS 62 2HE LYS 62 9.431 8.421 -2.676 515 2HE LYS 62 1HE LYS 62 8.188 7.170 -2.883 516 1HZ LYS 62 1HZ LYS 62 7.902 9.079 -4.411 517 2HZ LYS 62 2HZ LYS 62 7.676 10.091 -3.066 518 3HZ LYS 62 3HZ LYS 62 6.569 8.842 -3.390 519 H LYS 63 H LYS 63 8.807 11.931 3.922 520 HA LYS 63 HA LYS 63 8.548 14.603 2.588 521 1HB LYS 63 2HB LYS 63 6.998 13.430 4.483 522 2HB LYS 63 1HB LYS 63 8.163 14.259 5.515 523 1HG LYS 63 2HG LYS 63 7.717 16.360 4.184 524 2HG LYS 63 1HG LYS 63 6.402 15.497 3.385 525 1HD LYS 63 2HD LYS 63 6.396 15.326 6.338 526 2HD LYS 63 1HD LYS 63 6.092 16.935 5.681 527 1HE LYS 63 2HE LYS 63 4.611 14.442 4.771 528 2HE LYS 63 1HE LYS 63 3.986 15.586 5.975 529 1HZ LYS 63 1HZ LYS 63 4.471 15.987 3.111 530 2HZ LYS 63 2HZ LYS 63 4.708 17.307 4.154 531 3HZ LYS 63 3HZ LYS 63 3.193 16.545 4.075 532 H LYS 64 H LYS 64 10.595 12.600 4.563 533 HA LYS 64 HA LYS 64 12.929 14.113 4.282 534 1HB LYS 64 2HB LYS 64 10.992 15.311 6.024 535 2HB LYS 64 1HB LYS 64 12.379 14.818 6.996 536 1HG LYS 64 2HG LYS 64 13.749 15.903 5.006 537 2HG LYS 64 1HG LYS 64 12.248 16.792 4.747 538 1HD LYS 64 2HD LYS 64 12.287 17.655 7.002 539 2HD LYS 64 1HD LYS 64 13.649 16.619 7.427 540 1HE LYS 64 2HE LYS 64 15.138 18.113 6.593 541 2HE LYS 64 1HE LYS 64 14.231 18.256 5.074 542 1HZ LYS 64 1HZ LYS 64 14.206 20.336 6.360 543 2HZ LYS 64 2HZ LYS 64 13.451 19.525 7.647 544 3HZ LYS 64 3HZ LYS 64 12.649 19.693 6.159 545 H ARG 65 H ARG 65 14.315 12.408 4.609 546 HA ARG 65 HA ARG 65 14.154 10.940 7.200 547 1HB ARG 65 2HB ARG 65 14.291 8.797 5.929 548 2HB ARG 65 1HB ARG 65 12.811 9.689 5.572 549 1HG ARG 65 2HG ARG 65 14.794 10.629 3.769 550 2HG ARG 65 1HG ARG 65 14.885 8.867 3.758 551 1HD ARG 65 2HD ARG 65 12.179 9.213 3.711 552 2HD ARG 65 1HD ARG 65 12.714 10.636 2.795 553 HE ARG 65 HE ARG 65 12.812 7.979 1.796 554 1HH1 ARG 65 1HH1 ARG 65 13.263 10.244 -0.008 555 2HH1 ARG 65 2HH1 ARG 65 14.947 10.118 -0.395 556 1HH2 ARG 65 1HH2 ARG 65 15.672 8.019 2.268 557 2HH2 ARG 65 2HH2 ARG 65 16.310 8.860 0.894 558 H LEU 66 H LEU 66 16.113 12.814 6.670 559 HA LEU 66 HA LEU 66 18.418 12.238 5.282 560 1HB LEU 66 2HB LEU 66 17.654 13.612 7.742 561 2HB LEU 66 1HB LEU 66 19.312 13.014 7.813 562 HG LEU 66 HG LEU 66 19.858 14.143 5.725 563 1HD1 LEU 66 1HD1 LEU 66 18.234 14.567 4.227 564 2HD1 LEU 66 2HD1 LEU 66 17.556 15.773 5.323 565 3HD1 LEU 66 3HD1 LEU 66 17.009 14.100 5.407 566 1HD2 LEU 66 1HD2 LEU 66 20.296 15.804 7.212 567 2HD2 LEU 66 2HD2 LEU 66 18.768 15.565 8.060 568 3HD2 LEU 66 3HD2 LEU 66 18.821 16.547 6.595 569 H GLY 67 H GLY 67 19.758 10.469 5.221 570 1HA GLY 67 2HA GLY 67 19.386 8.260 7.019 571 2HA GLY 67 1HA GLY 67 20.620 8.364 5.772 572 H ARG 68 H ARG 68 19.969 10.288 8.729 573 HA ARG 68 HA ARG 68 22.530 9.418 9.870 574 1HB ARG 68 2HB ARG 68 23.651 11.393 9.479 575 2HB ARG 68 1HB ARG 68 22.542 11.436 8.113 576 1HG ARG 68 2HG ARG 68 20.938 12.738 9.573 577 2HG ARG 68 1HG ARG 68 22.240 12.874 10.756 578 1HD ARG 68 2HD ARG 68 23.658 14.025 9.117 579 2HD ARG 68 1HD ARG 68 22.405 13.830 7.874 580 HE ARG 68 HE ARG 68 21.330 15.068 10.260 581 1HH1 ARG 68 1HH1 ARG 68 23.540 15.710 7.714 582 2HH1 ARG 68 2HH1 ARG 68 22.987 17.331 7.453 583 1HH2 ARG 68 1HH2 ARG 68 20.442 17.121 9.799 584 2HH2 ARG 68 2HH2 ARG 68 21.232 18.128 8.633 585 H TYR 69 H TYR 69 19.613 9.545 10.404 586 HA TYR 69 HA TYR 69 19.740 10.166 13.255 587 1HB TYR 69 2HB TYR 69 19.530 12.401 12.401 588 2HB TYR 69 1HB TYR 69 18.301 11.899 11.241 589 HD1 TYR 69 1HD TYR 69 16.079 12.352 11.771 590 HD2 TYR 69 2HD TYR 69 18.914 11.783 14.947 591 HE1 TYR 69 1HE TYR 69 14.308 12.835 13.438 592 HE2 TYR 69 2HE TYR 69 17.143 12.266 16.615 593 HH TYR 69 HH TYR 69 14.650 12.160 16.730 594 H LEU 70 H LEU 70 19.115 7.747 12.218 595 HA LEU 70 HA LEU 70 17.418 6.119 11.917 596 1HB LEU 70 2HB LEU 70 17.167 7.704 14.304 597 2HB LEU 70 1HB LEU 70 15.579 7.145 13.779 598 HG LEU 70 HG LEU 70 16.546 5.459 15.244 599 1HD1 LEU 70 1HD1 LEU 70 17.108 3.949 12.848 600 2HD1 LEU 70 2HD1 LEU 70 15.730 5.015 12.574 601 3HD1 LEU 70 3HD1 LEU 70 15.700 3.859 13.906 602 1HD2 LEU 70 1HD2 LEU 70 18.795 4.900 13.373 603 2HD2 LEU 70 2HD2 LEU 70 18.727 4.736 15.127 604 3HD2 LEU 70 3HD2 LEU 70 18.956 6.325 14.399 605 H GLY 71 H GLY 71 16.594 6.584 9.862 606 1HA GLY 71 2HA GLY 71 14.603 8.681 9.439 607 2HA GLY 71 1HA GLY 71 15.124 7.494 8.240 608 H LYS 72 H LYS 72 12.373 8.270 8.862 609 HA LYS 72 HA LYS 72 11.270 5.867 10.227 610 1HB LYS 72 2HB LYS 72 10.378 8.619 9.480 611 2HB LYS 72 1HB LYS 72 9.135 7.374 9.605 612 1HG LYS 72 2HG LYS 72 9.164 7.661 11.838 613 2HG LYS 72 1HG LYS 72 10.799 6.999 11.846 614 1HD LYS 72 2HD LYS 72 10.902 9.159 12.909 615 2HD LYS 72 1HD LYS 72 11.644 9.324 11.317 616 1HE LYS 72 2HE LYS 72 9.454 10.174 10.432 617 2HE LYS 72 1HE LYS 72 8.821 10.139 12.090 618 1HZ LYS 72 1HZ LYS 72 10.931 11.827 10.944 619 2HZ LYS 72 2HZ LYS 72 11.057 11.376 12.577 620 3HZ LYS 72 3HZ LYS 72 9.698 12.239 12.034 621 H ARG 73 H ARG 73 12.302 4.826 8.053 622 HA ARG 73 HA ARG 73 10.226 4.891 5.895 623 1HB ARG 73 2HB ARG 73 12.945 5.266 5.822 624 2HB ARG 73 1HB ARG 73 12.817 3.548 5.442 625 1HG ARG 73 2HG ARG 73 10.846 4.482 3.860 626 2HG ARG 73 1HG ARG 73 11.888 5.905 3.884 627 1HD ARG 73 2HD ARG 73 13.787 4.598 3.091 628 2HD ARG 73 1HD ARG 73 12.839 3.101 3.197 629 HE ARG 73 HE ARG 73 11.242 4.298 1.541 630 1HH1 ARG 73 1HH1 ARG 73 14.080 6.030 1.884 631 2HH1 ARG 73 2HH1 ARG 73 14.495 6.039 0.202 632 1HH2 ARG 73 1HH2 ARG 73 12.001 3.802 -0.693 633 2HH2 ARG 73 2HH2 ARG 73 13.318 4.777 -1.257 634 HA PRO 74 HA PRO 74 9.816 0.775 7.951 635 1HB PRO 74 2HB PRO 74 7.095 0.808 8.099 636 2HB PRO 74 1HB PRO 74 8.134 1.528 9.345 637 1HG PRO 74 2HG PRO 74 6.595 2.840 7.175 638 2HG PRO 74 1HG PRO 74 6.933 3.399 8.820 639 1HD PRO 74 2HD PRO 74 8.248 4.279 6.561 640 2HD PRO 74 1HD PRO 74 8.898 4.373 8.211 641 H ASP 75 H ASP 75 7.713 -0.798 7.133 642 HA ASP 75 HA ASP 75 7.999 -0.841 4.167 643 1HB ASP 75 2HB ASP 75 7.788 -3.275 4.447 644 2HB ASP 75 1HB ASP 75 9.074 -2.664 5.485 645 H ARG 76 H ARG 76 6.114 0.472 3.885 646 HA ARG 76 HA ARG 76 3.531 -0.846 4.654 647 1HB ARG 76 2HB ARG 76 3.817 1.240 5.813 648 2HB ARG 76 1HB ARG 76 4.373 2.048 4.348 649 1HG ARG 76 2HG ARG 76 1.875 1.016 3.644 650 2HG ARG 76 1HG ARG 76 1.650 1.611 5.289 651 1HD ARG 76 2HD ARG 76 3.204 3.578 3.986 652 2HD ARG 76 1HD ARG 76 1.910 3.144 2.851 653 HE ARG 76 HE ARG 76 0.551 3.302 5.218 654 1HH1 ARG 76 1HH1 ARG 76 1.611 5.432 2.906 655 2HH1 ARG 76 2HH1 ARG 76 1.500 6.856 3.885 656 1HH2 ARG 76 1HH2 ARG 76 0.928 5.109 6.825 657 2HH2 ARG 76 2HH2 ARG 76 1.113 6.673 6.105 658 H LYS 77 H LYS 77 2.733 -1.830 2.831 659 HA LYS 77 HA LYS 77 2.989 -0.382 0.214 660 1HB LYS 77 2HB LYS 77 4.216 -2.387 0.055 661 2HB LYS 77 1HB LYS 77 3.069 -3.277 1.054 662 1HG LYS 77 2HG LYS 77 1.374 -3.033 -0.781 663 2HG LYS 77 1HG LYS 77 2.630 -2.306 -1.784 664 1HD LYS 77 2HD LYS 77 3.908 -4.555 -0.923 665 2HD LYS 77 1HD LYS 77 2.244 -5.133 -1.002 666 1HE LYS 77 2HE LYS 77 2.659 -5.442 -3.225 667 2HE LYS 77 1HE LYS 77 2.508 -3.679 -3.356 668 1HZ LYS 77 1HZ LYS 77 4.638 -4.228 -4.196 669 2HZ LYS 77 2HZ LYS 77 4.977 -5.254 -2.885 670 3HZ LYS 77 3HZ LYS 77 4.896 -3.573 -2.652 671 H LYS 78 H LYS 78 1.052 0.109 -0.818 672 HA LYS 78 HA LYS 78 -1.446 -0.762 0.544 673 1HB LYS 78 2HB LYS 78 -2.410 1.192 -0.551 674 2HB LYS 78 1HB LYS 78 -0.887 1.656 0.210 675 1HG LYS 78 2HG LYS 78 0.254 1.761 -1.837 676 2HG LYS 78 1HG LYS 78 -0.933 0.747 -2.658 677 1HD LYS 78 2HD LYS 78 -1.272 3.029 -3.392 678 2HD LYS 78 1HD LYS 78 -2.618 2.590 -2.341 679 1HE LYS 78 2HE LYS 78 -2.016 4.103 -0.737 680 2HE LYS 78 1HE LYS 78 -0.285 3.767 -0.942 681 1HZ LYS 78 1HZ LYS 78 -0.185 5.073 -2.867 682 2HZ LYS 78 2HZ LYS 78 -1.110 6.000 -1.785 683 3HZ LYS 78 3HZ LYS 78 -1.872 5.134 -3.032 684 H ALA 79 H ALA 79 -3.197 -1.687 -0.692 685 HA ALA 79 HA ALA 79 -2.371 -2.788 -3.360 686 1HB ALA 79 1HB ALA 79 -2.868 -4.185 -1.162 687 2HB ALA 79 2HB ALA 79 -3.382 -4.765 -2.751 688 3HB ALA 79 3HB ALA 79 -4.539 -3.953 -1.688 689 H ILE 80 H ILE 80 -3.674 -2.344 -5.087 690 HA ILE 80 HA ILE 80 -6.301 -1.029 -4.537 691 HB ILE 80 HB ILE 80 -4.235 -0.834 -6.727 692 1HG1 ILE 80 2HG1 ILE 80 -4.372 1.541 -6.195 693 2HG1 ILE 80 1HG1 ILE 80 -5.705 1.250 -5.084 694 1HG2 ILE 80 1HG2 ILE 80 -6.271 -1.027 -7.966 695 2HG2 ILE 80 2HG2 ILE 80 -5.942 0.703 -7.853 696 3HG2 ILE 80 3HG2 ILE 80 -7.151 -0.036 -6.803 697 1HD1 ILE 80 1HD1 ILE 80 -3.229 1.447 -4.174 698 2HD1 ILE 80 2HD1 ILE 80 -3.137 -0.241 -4.681 699 3HD1 ILE 80 3HD1 ILE 80 -4.342 0.260 -3.493 700 H VAL 81 H VAL 81 -7.864 -2.580 -4.705 701 HA VAL 81 HA VAL 81 -7.517 -4.745 -6.738 702 HB VAL 81 HB VAL 81 -9.616 -4.615 -4.577 703 1HG1 VAL 81 1HG1 VAL 81 -8.933 -6.473 -6.545 704 2HG1 VAL 81 2HG1 VAL 81 -9.956 -6.771 -5.140 705 3HG1 VAL 81 3HG1 VAL 81 -8.231 -7.131 -5.067 706 1HG2 VAL 81 1HG2 VAL 81 -7.485 -6.113 -3.555 707 2HG2 VAL 81 2HG2 VAL 81 -7.995 -4.517 -3.000 708 3HG2 VAL 81 3HG2 VAL 81 -6.721 -4.665 -4.213 709 H GLN 82 H GLN 82 -8.771 -4.693 -8.576 710 HA GLN 82 HA GLN 82 -11.139 -2.860 -8.571 711 1HB GLN 82 2HB GLN 82 -9.421 -2.285 -10.169 712 2HB GLN 82 1HB GLN 82 -9.312 -3.944 -10.733 713 1HG GLN 82 2HG GLN 82 -10.732 -3.193 -12.357 714 2HG GLN 82 1HG GLN 82 -11.954 -3.482 -11.120 715 1HE2 GLN 82 1HE2 GLN 82 -13.199 -1.693 -10.523 716 2HE2 GLN 82 2HE2 GLN 82 -12.801 -0.079 -10.868 717 H VAL 83 H VAL 83 -13.135 -3.756 -9.294 718 HA VAL 83 HA VAL 83 -13.024 -6.711 -9.633 719 HB VAL 83 HB VAL 83 -15.088 -6.864 -8.518 720 1HG1 VAL 83 1HG1 VAL 83 -14.145 -4.414 -7.085 721 2HG1 VAL 83 2HG1 VAL 83 -13.029 -5.773 -7.217 722 3HG1 VAL 83 3HG1 VAL 83 -14.596 -5.990 -6.435 723 1HG2 VAL 83 1HG2 VAL 83 -16.603 -4.975 -8.176 724 2HG2 VAL 83 2HG2 VAL 83 -16.212 -5.119 -9.892 725 3HG2 VAL 83 3HG2 VAL 83 -15.433 -3.873 -8.909 726 H ALA 84 H ALA 84 -14.506 -7.619 -11.184 727 HA ALA 84 HA ALA 84 -14.524 -6.350 -13.710 728 1HB ALA 84 1HB ALA 84 -16.701 -8.133 -13.564 729 2HB ALA 84 2HB ALA 84 -15.515 -8.722 -12.398 730 3HB ALA 84 3HB ALA 84 -15.054 -8.498 -14.090 731 HA PRO 85 HA PRO 85 -18.056 -3.771 -13.824 732 1HB PRO 85 2HB PRO 85 -19.506 -4.639 -15.982 733 2HB PRO 85 1HB PRO 85 -17.968 -3.784 -16.134 734 1HG PRO 85 2HG PRO 85 -18.537 -6.658 -16.365 735 2HG PRO 85 1HG PRO 85 -17.404 -5.664 -17.276 736 1HD PRO 85 2HD PRO 85 -16.655 -7.336 -15.242 737 2HD PRO 85 1HD PRO 85 -15.751 -5.888 -15.707 738 H GLY 86 H GLY 86 -20.093 -3.632 -12.883 739 1HA GLY 86 2HA GLY 86 -22.274 -4.411 -12.254 740 2HA GLY 86 1HA GLY 86 -21.806 -6.040 -12.743 741 H GLN 87 H GLN 87 -19.192 -5.538 -11.165 742 HA GLN 87 HA GLN 87 -20.268 -6.547 -8.592 743 1HB GLN 87 2HB GLN 87 -17.573 -6.393 -9.947 744 2HB GLN 87 1HB GLN 87 -17.730 -6.901 -8.264 745 1HG GLN 87 2HG GLN 87 -18.901 -8.833 -8.813 746 2HG GLN 87 1HG GLN 87 -19.469 -8.172 -10.348 747 1HE2 GLN 87 1HE2 GLN 87 -18.412 -10.596 -10.726 748 2HE2 GLN 87 2HE2 GLN 87 -16.821 -10.535 -11.314 749 H LYS 88 H LYS 88 -19.128 -5.716 -6.570 750 HA LYS 88 HA LYS 88 -17.816 -3.168 -6.486 751 1HB LYS 88 2HB LYS 88 -19.802 -1.830 -5.721 752 2HB LYS 88 1HB LYS 88 -19.933 -2.369 -7.396 753 1HG LYS 88 2HG LYS 88 -21.078 -4.482 -6.172 754 2HG LYS 88 1HG LYS 88 -21.484 -3.223 -5.005 755 1HD LYS 88 2HD LYS 88 -22.232 -1.852 -7.089 756 2HD LYS 88 1HD LYS 88 -22.252 -3.413 -7.912 757 1HE LYS 88 2HE LYS 88 -23.585 -3.395 -5.264 758 2HE LYS 88 1HE LYS 88 -24.388 -2.438 -6.525 759 1HZ LYS 88 1HZ LYS 88 -23.683 -5.305 -6.555 760 2HZ LYS 88 2HZ LYS 88 -23.881 -4.449 -8.009 761 3HZ LYS 88 3HZ LYS 88 -25.172 -4.576 -6.912 762 H ILE 89 H ILE 89 -16.768 -3.317 -4.537 763 HA ILE 89 HA ILE 89 -17.806 -5.070 -2.412 764 HB ILE 89 HB ILE 89 -15.337 -3.376 -2.855 765 1HG1 ILE 89 2HG1 ILE 89 -15.879 -6.356 -2.653 766 2HG1 ILE 89 1HG1 ILE 89 -15.422 -5.465 -4.105 767 1HG2 ILE 89 1HG2 ILE 89 -15.592 -3.235 -0.509 768 2HG2 ILE 89 2HG2 ILE 89 -14.527 -4.622 -0.737 769 3HG2 ILE 89 3HG2 ILE 89 -16.238 -4.871 -0.393 770 1HD1 ILE 89 1HD1 ILE 89 -13.733 -6.469 -1.925 771 2HD1 ILE 89 2HD1 ILE 89 -13.423 -4.777 -2.322 772 3HD1 ILE 89 3HD1 ILE 89 -13.290 -6.016 -3.570 773 H GLU 90 H GLU 90 -19.498 -4.171 -1.270 774 HA GLU 90 HA GLU 90 -19.983 -1.397 -0.845 775 1HB GLU 90 2HB GLU 90 -21.484 -2.347 0.981 776 2HB GLU 90 1HB GLU 90 -21.714 -3.049 -0.621 777 1HG GLU 90 2HG GLU 90 -21.143 -5.092 0.130 778 2HG GLU 90 1HG GLU 90 -19.635 -4.470 0.801 779 H ALA 91 H ALA 91 -17.660 -3.467 0.624 780 HA ALA 91 HA ALA 91 -17.483 -2.515 3.270 781 1HB ALA 91 1HB ALA 91 -16.219 -4.384 2.149 782 2HB ALA 91 2HB ALA 91 -15.204 -3.337 3.140 783 3HB ALA 91 3HB ALA 91 -15.200 -3.165 1.385 784 H LEU 92 H LEU 92 -16.319 -1.006 0.268 785 HA LEU 92 HA LEU 92 -15.252 1.283 1.881 786 1HB LEU 92 2HB LEU 92 -14.858 1.188 -1.060 787 2HB LEU 92 1HB LEU 92 -13.697 1.553 0.211 788 HG LEU 92 HG LEU 92 -14.688 -1.196 -0.580 789 1HD1 LEU 92 1HD1 LEU 92 -11.830 -0.286 -0.641 790 2HD1 LEU 92 2HD1 LEU 92 -12.904 0.191 -1.955 791 3HD1 LEU 92 3HD1 LEU 92 -12.629 -1.518 -1.617 792 1HD2 LEU 92 1HD2 LEU 92 -13.222 -0.148 1.783 793 2HD2 LEU 92 2HD2 LEU 92 -12.569 -1.619 1.062 794 3HD2 LEU 92 3HD2 LEU 92 -14.235 -1.583 1.638 795 H GLU 93 H GLU 93 -17.721 0.331 -0.383 796 HA GLU 93 HA GLU 93 -18.412 2.922 -1.390 797 1HB GLU 93 2HB GLU 93 -20.137 0.466 -0.931 798 2HB GLU 93 1HB GLU 93 -20.464 1.767 -2.077 799 1HG GLU 93 2HG GLU 93 -17.808 0.442 -2.285 800 2HG GLU 93 1HG GLU 93 -19.207 -0.501 -2.798 801 H GLY 94 H GLY 94 -19.439 1.089 1.474 802 1HA GLY 94 2HA GLY 94 -21.394 3.122 2.262 803 2HA GLY 94 1HA GLY 94 -20.938 1.703 3.205 804 H LEU 95 H LEU 95 -18.037 2.840 2.446 805 HA LEU 95 HA LEU 95 -17.666 4.152 5.041 806 1HB LEU 95 2HB LEU 95 -16.056 3.053 2.800 807 2HB LEU 95 1HB LEU 95 -15.296 4.356 3.715 808 HG LEU 95 HG LEU 95 -15.459 3.147 5.765 809 1HD1 LEU 95 1HD1 LEU 95 -16.587 0.714 5.417 810 2HD1 LEU 95 2HD1 LEU 95 -17.544 1.649 4.267 811 3HD1 LEU 95 3HD1 LEU 95 -17.498 2.120 5.966 812 1HD2 LEU 95 1HD2 LEU 95 -14.769 0.684 4.615 813 2HD2 LEU 95 2HD2 LEU 95 -13.660 1.988 5.040 814 3HD2 LEU 95 3HD2 LEU 95 -14.314 1.885 3.405 815 H ILE 96 H ILE 96 -19.010 5.325 2.336 816 HA ILE 96 HA ILE 96 -17.454 7.813 2.037 817 HB ILE 96 HB ILE 96 -20.159 7.071 0.893 818 1HG1 ILE 96 2HG1 ILE 96 -18.452 5.247 0.558 819 2HG1 ILE 96 1HG1 ILE 96 -19.003 5.988 -0.944 820 1HG2 ILE 96 1HG2 ILE 96 -18.528 9.347 0.674 821 2HG2 ILE 96 2HG2 ILE 96 -19.903 8.934 -0.350 822 3HG2 ILE 96 3HG2 ILE 96 -18.274 8.456 -0.827 823 1HD1 ILE 96 1HD1 ILE 96 -16.840 6.391 -1.430 824 2HD1 ILE 96 2HD1 ILE 96 -16.328 5.916 0.190 825 3HD1 ILE 96 3HD1 ILE 96 -16.844 7.573 -0.122 Start of MODEL 21 1 1H MET 1 1HT MET 1 -1.836 -13.805 12.510 2 2H MET 1 2HT MET 1 -3.107 -12.679 12.468 3 3H MET 1 3HT MET 1 -1.627 -12.267 13.193 4 HA MET 1 HA MET 1 -0.606 -11.829 11.221 5 1HB MET 1 2HB MET 1 -1.451 -13.178 9.166 6 2HB MET 1 1HB MET 1 -0.587 -14.064 10.426 7 1HG MET 1 2HG MET 1 -3.431 -13.884 11.011 8 2HG MET 1 1HG MET 1 -3.147 -14.629 9.438 9 1HE MET 1 1HE MET 1 -4.549 -16.444 11.289 10 2HE MET 1 2HE MET 1 -3.572 -17.907 11.196 11 3HE MET 1 3HE MET 1 -3.822 -16.930 9.751 12 H LYS 2 H LYS 2 -1.184 -10.491 9.349 13 HA LYS 2 HA LYS 2 -3.338 -8.721 9.649 14 1HB LYS 2 2HB LYS 2 -2.411 -9.677 6.934 15 2HB LYS 2 1HB LYS 2 -2.857 -8.049 7.414 16 1HG LYS 2 2HG LYS 2 -0.310 -9.544 8.018 17 2HG LYS 2 1HG LYS 2 -0.508 -7.942 7.309 18 1HD LYS 2 2HD LYS 2 -1.629 -7.354 9.606 19 2HD LYS 2 1HD LYS 2 -0.762 -8.776 10.186 20 1HE LYS 2 2HE LYS 2 0.908 -6.998 8.537 21 2HE LYS 2 1HE LYS 2 0.330 -6.248 10.038 22 1HZ LYS 2 1HZ LYS 2 2.158 -7.418 10.776 23 2HZ LYS 2 2HZ LYS 2 1.925 -8.699 9.684 24 3HZ LYS 2 3HZ LYS 2 0.919 -8.544 11.044 25 H THR 3 H THR 3 -5.285 -9.688 10.127 26 HA THR 3 HA THR 3 -6.933 -11.560 9.879 27 HB THR 3 HB THR 3 -7.192 -9.002 8.342 28 HG1 THR 3 1HG THR 3 -9.098 -9.103 9.907 29 1HG2 THR 3 1HG2 THR 3 -9.627 -9.634 7.928 30 2HG2 THR 3 2HG2 THR 3 -9.151 -11.304 8.239 31 3HG2 THR 3 3HG2 THR 3 -8.443 -10.423 6.884 32 H ALA 4 H ALA 4 -6.410 -10.228 6.624 33 HA ALA 4 HA ALA 4 -7.127 -12.518 5.107 34 1HB ALA 4 1HB ALA 4 -5.512 -11.328 3.478 35 2HB ALA 4 2HB ALA 4 -5.278 -10.164 4.778 36 3HB ALA 4 3HB ALA 4 -6.882 -10.392 4.077 37 H TYR 5 H TYR 5 -5.937 -14.134 6.685 38 HA TYR 5 HA TYR 5 -3.980 -15.318 7.376 39 1HB TYR 5 2HB TYR 5 -3.049 -16.471 5.305 40 2HB TYR 5 1HB TYR 5 -4.791 -16.588 5.514 41 HD1 TYR 5 1HD TYR 5 -6.228 -14.771 4.303 42 HD2 TYR 5 2HD TYR 5 -2.162 -15.702 3.284 43 HE1 TYR 5 1HE TYR 5 -6.564 -13.776 2.068 44 HE2 TYR 5 2HE TYR 5 -2.498 -14.706 1.035 45 HH TYR 5 HH TYR 5 -5.423 -14.127 -0.295 46 H ASP 6 H ASP 6 -3.535 -12.501 7.247 47 HA ASP 6 HA ASP 6 -1.645 -11.173 7.679 48 1HB ASP 6 2HB ASP 6 0.304 -12.245 7.932 49 2HB ASP 6 1HB ASP 6 -0.641 -13.686 7.590 50 H VAL 7 H VAL 7 -3.369 -10.844 5.450 51 HA VAL 7 HA VAL 7 -1.478 -9.504 3.553 52 HB VAL 7 HB VAL 7 -4.042 -10.688 2.559 53 1HG1 VAL 7 1HG1 VAL 7 -3.133 -9.795 0.713 54 2HG1 VAL 7 2HG1 VAL 7 -1.933 -11.088 0.775 55 3HG1 VAL 7 3HG1 VAL 7 -1.592 -9.527 1.525 56 1HG2 VAL 7 1HG2 VAL 7 -1.966 -12.546 2.019 57 2HG2 VAL 7 2HG2 VAL 7 -3.436 -12.800 2.954 58 3HG2 VAL 7 3HG2 VAL 7 -1.965 -12.271 3.758 59 H ILE 8 H ILE 8 -4.095 -8.892 2.045 60 HA ILE 8 HA ILE 8 -4.617 -6.296 2.531 61 HB ILE 8 HB ILE 8 -7.029 -8.092 2.427 62 1HG1 ILE 8 2HG1 ILE 8 -5.521 -9.347 1.029 63 2HG1 ILE 8 1HG1 ILE 8 -6.547 -8.399 -0.043 64 1HG2 ILE 8 1HG2 ILE 8 -7.728 -6.453 0.754 65 2HG2 ILE 8 2HG2 ILE 8 -6.129 -5.708 0.770 66 3HG2 ILE 8 3HG2 ILE 8 -7.166 -5.608 2.195 67 1HD1 ILE 8 1HD1 ILE 8 -4.844 -6.806 -0.455 68 2HD1 ILE 8 2HD1 ILE 8 -4.037 -8.370 -0.542 69 3HD1 ILE 8 3HD1 ILE 8 -3.872 -7.376 0.901 70 H LEU 9 H LEU 9 -5.120 -5.069 4.287 71 HA LEU 9 HA LEU 9 -6.451 -6.406 6.621 72 1HB LEU 9 2HB LEU 9 -4.306 -4.329 6.284 73 2HB LEU 9 1HB LEU 9 -5.291 -4.306 7.747 74 HG LEU 9 HG LEU 9 -4.297 -6.974 6.970 75 1HD1 LEU 9 1HD1 LEU 9 -2.036 -6.382 8.052 76 2HD1 LEU 9 2HD1 LEU 9 -2.449 -4.701 7.714 77 3HD1 LEU 9 3HD1 LEU 9 -2.283 -5.852 6.388 78 1HD2 LEU 9 1HD2 LEU 9 -4.587 -5.306 9.468 79 2HD2 LEU 9 2HD2 LEU 9 -3.671 -6.813 9.491 80 3HD2 LEU 9 3HD2 LEU 9 -5.381 -6.828 9.062 81 H ALA 10 H ALA 10 -6.007 -2.953 6.424 82 HA ALA 10 HA ALA 10 -8.970 -2.620 6.167 83 1HB ALA 10 1HB ALA 10 -8.020 -0.266 7.139 84 2HB ALA 10 2HB ALA 10 -6.768 -1.365 7.715 85 3HB ALA 10 3HB ALA 10 -8.450 -1.629 8.172 86 HA PRO 11 HA PRO 11 -8.282 -0.468 2.389 87 1HB PRO 11 2HB PRO 11 -10.493 1.139 2.350 88 2HB PRO 11 1HB PRO 11 -10.566 -0.610 2.059 89 1HG PRO 11 2HG PRO 11 -11.260 0.931 4.498 90 2HG PRO 11 1HG PRO 11 -12.009 -0.525 3.829 91 1HD PRO 11 2HD PRO 11 -10.263 -0.500 5.961 92 2HD PRO 11 1HD PRO 11 -10.578 -1.911 4.929 93 H VAL 12 H VAL 12 -7.739 1.703 1.572 94 HA VAL 12 HA VAL 12 -6.914 3.557 3.767 95 HB VAL 12 HB VAL 12 -5.166 4.201 2.325 96 1HG1 VAL 12 1HG1 VAL 12 -4.086 2.221 2.119 97 2HG1 VAL 12 2HG1 VAL 12 -5.302 1.574 1.019 98 3HG1 VAL 12 3HG1 VAL 12 -5.565 1.506 2.762 99 1HG2 VAL 12 1HG2 VAL 12 -5.224 3.843 -0.123 100 2HG2 VAL 12 2HG2 VAL 12 -6.611 4.792 0.415 101 3HG2 VAL 12 3HG2 VAL 12 -6.808 3.083 0.030 102 H LEU 13 H LEU 13 -7.984 5.497 3.956 103 HA LEU 13 HA LEU 13 -9.888 6.246 1.784 104 1HB LEU 13 2HB LEU 13 -9.612 7.004 4.706 105 2HB LEU 13 1HB LEU 13 -10.836 7.672 3.630 106 HG LEU 13 HG LEU 13 -11.890 5.848 4.756 107 1HD1 LEU 13 1HD1 LEU 13 -12.726 4.802 2.910 108 2HD1 LEU 13 2HD1 LEU 13 -11.129 4.306 2.346 109 3HD1 LEU 13 3HD1 LEU 13 -11.704 5.945 2.039 110 1HD2 LEU 13 1HD2 LEU 13 -9.424 4.879 5.209 111 2HD2 LEU 13 2HD2 LEU 13 -9.879 3.834 3.864 112 3HD2 LEU 13 3HD2 LEU 13 -10.862 3.866 5.327 113 H SER 14 H SER 14 -8.996 7.688 0.359 114 HA SER 14 HA SER 14 -7.863 10.203 1.368 115 1HB SER 14 2HB SER 14 -6.207 8.173 -0.166 116 2HB SER 14 1HB SER 14 -5.689 9.817 0.199 117 HG SER 14 HG SER 14 -5.749 7.598 1.782 118 H GLU 15 H GLU 15 -8.024 11.826 -0.220 119 HA GLU 15 HA GLU 15 -9.851 11.732 -2.287 120 1HB GLU 15 2HB GLU 15 -7.257 13.235 -1.913 121 2HB GLU 15 1HB GLU 15 -8.305 13.561 -3.294 122 1HG GLU 15 2HG GLU 15 -10.204 13.877 -1.633 123 2HG GLU 15 1HG GLU 15 -8.987 13.838 -0.358 124 H LYS 16 H LYS 16 -6.331 11.155 -2.684 125 HA LYS 16 HA LYS 16 -6.313 10.519 -5.417 126 1HB LYS 16 2HB LYS 16 -4.701 9.497 -3.064 127 2HB LYS 16 1HB LYS 16 -4.255 9.199 -4.745 128 1HG LYS 16 2HG LYS 16 -4.167 11.631 -5.156 129 2HG LYS 16 1HG LYS 16 -4.613 11.931 -3.476 130 1HD LYS 16 2HD LYS 16 -2.407 11.906 -3.006 131 2HD LYS 16 1HD LYS 16 -2.457 10.168 -3.302 132 1HE LYS 16 2HE LYS 16 -2.103 10.708 -5.779 133 2HE LYS 16 1HE LYS 16 -1.713 12.359 -5.257 134 1HZ LYS 16 1HZ LYS 16 -0.489 10.162 -3.776 135 2HZ LYS 16 2HZ LYS 16 0.144 11.689 -4.169 136 3HZ LYS 16 3HZ LYS 16 0.111 10.454 -5.335 137 H ALA 17 H ALA 17 -7.173 8.507 -2.630 138 HA ALA 17 HA ALA 17 -7.440 6.075 -4.272 139 1HB ALA 17 1HB ALA 17 -7.386 6.884 -1.454 140 2HB ALA 17 2HB ALA 17 -6.897 5.356 -2.187 141 3HB ALA 17 3HB ALA 17 -8.591 5.639 -1.783 142 H TYR 18 H TYR 18 -9.701 7.949 -2.199 143 HA TYR 18 HA TYR 18 -12.109 6.772 -2.915 144 1HB TYR 18 2HB TYR 18 -11.170 9.463 -2.089 145 2HB TYR 18 1HB TYR 18 -12.794 9.401 -2.774 146 HD1 TYR 18 1HD TYR 18 -11.558 9.751 0.230 147 HD2 TYR 18 2HD TYR 18 -13.654 6.684 -1.921 148 HE1 TYR 18 1HE TYR 18 -12.428 8.844 2.368 149 HE2 TYR 18 2HE TYR 18 -14.520 5.770 0.217 150 HH TYR 18 HH TYR 18 -13.531 7.163 3.338 151 H ALA 19 H ALA 19 -10.155 8.990 -4.844 152 HA ALA 19 HA ALA 19 -12.239 9.202 -6.929 153 1HB ALA 19 1HB ALA 19 -10.456 10.657 -7.975 154 2HB ALA 19 2HB ALA 19 -9.418 10.276 -6.600 155 3HB ALA 19 3HB ALA 19 -10.923 11.162 -6.350 156 H GLY 20 H GLY 20 -9.748 7.067 -6.107 157 1HA GLY 20 2HA GLY 20 -9.399 6.171 -8.940 158 2HA GLY 20 1HA GLY 20 -8.255 5.828 -7.639 159 H PHE 21 H PHE 21 -10.186 5.177 -5.655 160 HA PHE 21 HA PHE 21 -10.659 2.396 -6.284 161 1HB PHE 21 2HB PHE 21 -10.882 2.330 -4.008 162 2HB PHE 21 1HB PHE 21 -10.376 4.012 -4.054 163 HD1 PHE 21 1HD PHE 21 -12.520 5.588 -4.903 164 HD2 PHE 21 2HD PHE 21 -12.704 1.953 -2.627 165 HE1 PHE 21 1HE PHE 21 -14.723 6.268 -3.995 166 HE2 PHE 21 2HE PHE 21 -14.904 2.632 -1.718 167 HZ PHE 21 HZ PHE 21 -15.918 4.789 -2.403 168 H ALA 22 H ALA 22 -12.390 5.321 -6.755 169 HA ALA 22 HA ALA 22 -15.080 4.517 -6.649 170 1HB ALA 22 1HB ALA 22 -15.444 6.563 -7.729 171 2HB ALA 22 2HB ALA 22 -14.003 6.392 -8.731 172 3HB ALA 22 3HB ALA 22 -13.846 6.799 -7.022 173 H GLU 23 H GLU 23 -12.596 3.716 -8.917 174 HA GLU 23 HA GLU 23 -14.455 2.922 -11.070 175 1HB GLU 23 2HB GLU 23 -11.833 3.803 -10.872 176 2HB GLU 23 1HB GLU 23 -11.642 2.079 -11.181 177 1HG GLU 23 2HG GLU 23 -11.923 2.634 -13.364 178 2HG GLU 23 1HG GLU 23 -13.634 2.753 -12.954 179 H GLY 24 H GLY 24 -14.135 1.578 -8.234 180 1HA GLY 24 2HA GLY 24 -14.771 -0.650 -7.658 181 2HA GLY 24 1HA GLY 24 -14.271 -1.160 -9.266 182 H LYS 25 H LYS 25 -11.948 0.895 -8.143 183 HA LYS 25 HA LYS 25 -10.038 -1.274 -7.652 184 1HB LYS 25 2HB LYS 25 -10.041 1.736 -7.888 185 2HB LYS 25 1HB LYS 25 -8.590 0.899 -7.350 186 1HG LYS 25 2HG LYS 25 -8.323 -0.214 -9.395 187 2HG LYS 25 1HG LYS 25 -10.018 -0.013 -9.832 188 1HD LYS 25 2HD LYS 25 -9.659 2.420 -10.088 189 2HD LYS 25 1HD LYS 25 -7.957 2.205 -9.677 190 1HE LYS 25 2HE LYS 25 -7.615 0.793 -11.650 191 2HE LYS 25 1HE LYS 25 -9.342 0.892 -12.043 192 1HZ LYS 25 1HZ LYS 25 -7.684 2.591 -13.085 193 2HZ LYS 25 2HZ LYS 25 -7.827 3.368 -11.581 194 3HZ LYS 25 3HZ LYS 25 -9.203 3.115 -12.544 195 H TYR 26 H TYR 26 -9.286 -1.871 -5.576 196 HA TYR 26 HA TYR 26 -10.252 -0.183 -3.294 197 1HB TYR 26 2HB TYR 26 -10.137 -3.205 -3.546 198 2HB TYR 26 1HB TYR 26 -10.685 -2.323 -2.119 199 HD1 TYR 26 1HD TYR 26 -12.059 -4.224 -4.457 200 HD2 TYR 26 2HD TYR 26 -12.206 -0.100 -3.266 201 HE1 TYR 26 1HE TYR 26 -14.323 -4.017 -5.448 202 HE2 TYR 26 2HE TYR 26 -14.470 0.106 -4.256 203 HH TYR 26 HH TYR 26 -16.367 -1.389 -4.830 204 H THR 27 H THR 27 -8.256 0.792 -2.870 205 HA THR 27 HA THR 27 -5.742 -0.628 -2.703 206 HB THR 27 HB THR 27 -6.419 2.029 -1.454 207 HG1 THR 27 1HG THR 27 -7.249 2.461 -3.348 208 1HG2 THR 27 1HG2 THR 27 -4.034 0.568 -2.157 209 2HG2 THR 27 2HG2 THR 27 -4.182 2.090 -1.277 210 3HG2 THR 27 3HG2 THR 27 -4.086 2.096 -3.038 211 H PHE 28 H PHE 28 -5.316 -2.008 -1.000 212 HA PHE 28 HA PHE 28 -6.523 -1.350 1.668 213 1HB PHE 28 2HB PHE 28 -6.340 -3.740 0.001 214 2HB PHE 28 1HB PHE 28 -5.726 -4.030 1.629 215 HD1 PHE 28 1HD PHE 28 -7.158 -3.640 3.605 216 HD2 PHE 28 2HD PHE 28 -8.665 -3.262 -0.399 217 HE1 PHE 28 1HE PHE 28 -9.488 -3.688 4.473 218 HE2 PHE 28 2HE PHE 28 -10.990 -3.318 0.467 219 HZ PHE 28 HZ PHE 28 -11.400 -3.531 2.903 220 H TRP 29 H TRP 29 -5.138 -2.020 3.542 221 HA TRP 29 HA TRP 29 -2.278 -1.429 3.004 222 1HB TRP 29 2HB TRP 29 -4.017 -1.650 5.486 223 2HB TRP 29 1HB TRP 29 -2.280 -1.358 5.559 224 HD1 TRP 29 HD TRP 29 -5.546 0.358 5.050 225 HE1 TRP 29 1HE TRP 29 -5.171 2.853 4.530 226 HE3 TRP 29 3HE TRP 29 -0.498 0.348 4.245 227 HZ2 TRP 29 2HZ TRP 29 -3.023 4.612 3.863 228 HZ3 TRP 29 3HZ TRP 29 0.684 2.456 3.668 229 HH2 TRP 29 HH TRP 29 -0.573 4.582 3.478 230 H VAL 30 H VAL 30 -0.924 -3.185 2.771 231 HA VAL 30 HA VAL 30 -1.555 -5.641 4.299 232 HB VAL 30 HB VAL 30 -2.657 -5.620 2.077 233 1HG1 VAL 30 1HG1 VAL 30 -0.884 -4.274 0.926 234 2HG1 VAL 30 2HG1 VAL 30 -1.298 -5.754 0.059 235 3HG1 VAL 30 3HG1 VAL 30 0.179 -5.677 1.021 236 1HG2 VAL 30 1HG2 VAL 30 -1.443 -7.600 3.348 237 2HG2 VAL 30 2HG2 VAL 30 -0.542 -7.644 1.835 238 3HG2 VAL 30 3HG2 VAL 30 -2.300 -7.823 1.827 239 H HIS 31 H HIS 31 0.191 -7.233 4.107 240 HA HIS 31 HA HIS 31 2.753 -6.165 4.746 241 1HB HIS 31 2HB HIS 31 1.407 -8.630 4.723 242 2HB HIS 31 1HB HIS 31 2.809 -8.872 3.680 243 HD1 HIS 31 1HD HIS 31 3.706 -10.430 5.697 244 HD2 HIS 31 2HD HIS 31 3.479 -6.350 6.521 245 HE1 HIS 31 1HE HIS 31 5.113 -10.038 7.766 246 HA PRO 32 HA PRO 32 4.353 -5.324 0.718 247 1HB PRO 32 2HB PRO 32 6.993 -5.199 1.400 248 2HB PRO 32 1HB PRO 32 5.831 -3.925 1.796 249 1HG PRO 32 2HG PRO 32 6.913 -6.085 3.529 250 2HG PRO 32 1HG PRO 32 6.585 -4.387 3.915 251 1HD PRO 32 2HD PRO 32 4.921 -6.429 4.619 252 2HD PRO 32 1HD PRO 32 4.360 -4.771 4.311 253 H LYS 33 H LYS 33 3.707 -7.628 0.144 254 HA LYS 33 HA LYS 33 5.904 -9.081 -0.983 255 1HB LYS 33 2HB LYS 33 5.581 -11.071 0.678 256 2HB LYS 33 1HB LYS 33 6.552 -9.696 1.205 257 1HG LYS 33 2HG LYS 33 5.137 -9.329 2.913 258 2HG LYS 33 1HG LYS 33 3.796 -9.142 1.794 259 1HD LYS 33 2HD LYS 33 2.992 -11.000 2.844 260 2HD LYS 33 1HD LYS 33 4.094 -11.848 1.758 261 1HE LYS 33 2HE LYS 33 5.251 -10.812 4.311 262 2HE LYS 33 1HE LYS 33 4.193 -12.234 4.411 263 1HZ LYS 33 1HZ LYS 33 5.493 -13.397 2.870 264 2HZ LYS 33 2HZ LYS 33 6.629 -12.668 3.901 265 3HZ LYS 33 3HZ LYS 33 6.321 -12.005 2.368 266 H ALA 34 H ALA 34 2.630 -9.211 0.357 267 HA ALA 34 HA ALA 34 1.618 -11.499 -0.896 268 1HB ALA 34 1HB ALA 34 0.392 -8.786 -0.328 269 2HB ALA 34 2HB ALA 34 0.365 -10.205 0.717 270 3HB ALA 34 3HB ALA 34 -0.556 -10.200 -0.787 271 H THR 35 H THR 35 2.530 -11.712 -3.030 272 HA THR 35 HA THR 35 2.776 -9.917 -5.103 273 HB THR 35 HB THR 35 1.806 -12.081 -6.421 274 HG1 THR 35 1HG THR 35 2.148 -13.877 -5.080 275 1HG2 THR 35 1HG2 THR 35 4.402 -12.181 -4.873 276 2HG2 THR 35 2HG2 THR 35 4.170 -11.151 -6.285 277 3HG2 THR 35 3HG2 THR 35 4.053 -12.903 -6.444 278 H LYS 36 H LYS 36 1.376 -9.101 -6.761 279 HA LYS 36 HA LYS 36 -1.094 -8.051 -6.127 280 1HB LYS 36 2HB LYS 36 0.047 -9.119 -8.716 281 2HB LYS 36 1HB LYS 36 -1.489 -8.253 -8.670 282 1HG LYS 36 2HG LYS 36 0.486 -6.812 -7.136 283 2HG LYS 36 1HG LYS 36 1.105 -7.128 -8.757 284 1HD LYS 36 2HD LYS 36 -1.156 -6.295 -9.625 285 2HD LYS 36 1HD LYS 36 -1.448 -5.701 -7.991 286 1HE LYS 36 2HE LYS 36 -0.466 -3.932 -9.452 287 2HE LYS 36 1HE LYS 36 0.626 -4.343 -8.116 288 1HZ LYS 36 1HZ LYS 36 1.406 -4.388 -10.646 289 2HZ LYS 36 2HZ LYS 36 0.817 -5.976 -10.522 290 3HZ LYS 36 3HZ LYS 36 2.044 -5.438 -9.477 291 H THR 37 H THR 37 -0.433 -11.352 -7.248 292 HA THR 37 HA THR 37 -3.222 -12.098 -7.520 293 HB THR 37 HB THR 37 -0.568 -13.427 -7.503 294 HG1 THR 37 1HG THR 37 -2.618 -12.853 -9.288 295 1HG2 THR 37 1HG2 THR 37 -1.808 -15.590 -8.019 296 2HG2 THR 37 2HG2 THR 37 -3.249 -14.801 -7.377 297 3HG2 THR 37 3HG2 THR 37 -1.852 -15.069 -6.334 298 H GLU 38 H GLU 38 -0.748 -12.487 -4.989 299 HA GLU 38 HA GLU 38 -2.161 -14.172 -3.209 300 1HB GLU 38 2HB GLU 38 -0.007 -12.125 -3.102 301 2HB GLU 38 1HB GLU 38 -0.768 -12.519 -1.560 302 1HG GLU 38 2HG GLU 38 -0.116 -14.852 -3.256 303 2HG GLU 38 1HG GLU 38 1.280 -13.954 -2.656 304 H ILE 39 H ILE 39 -2.233 -10.623 -3.531 305 HA ILE 39 HA ILE 39 -3.980 -10.016 -1.377 306 HB ILE 39 HB ILE 39 -3.484 -8.803 -4.112 307 1HG1 ILE 39 2HG1 ILE 39 -2.686 -7.608 -1.474 308 2HG1 ILE 39 1HG1 ILE 39 -1.741 -8.945 -2.128 309 1HG2 ILE 39 1HG2 ILE 39 -5.505 -8.133 -2.097 310 2HG2 ILE 39 2HG2 ILE 39 -5.366 -7.598 -3.771 311 3HG2 ILE 39 3HG2 ILE 39 -4.457 -6.774 -2.504 312 1HD1 ILE 39 1HD1 ILE 39 -1.000 -7.712 -3.941 313 2HD1 ILE 39 2HD1 ILE 39 -1.163 -6.423 -2.749 314 3HD1 ILE 39 3HD1 ILE 39 -2.428 -6.677 -3.954 315 H LYS 40 H LYS 40 -4.601 -11.272 -4.603 316 HA LYS 40 HA LYS 40 -7.385 -10.787 -4.873 317 1HB LYS 40 2HB LYS 40 -5.725 -11.635 -6.566 318 2HB LYS 40 1HB LYS 40 -5.768 -13.195 -5.752 319 1HG LYS 40 2HG LYS 40 -7.857 -13.711 -6.524 320 2HG LYS 40 1HG LYS 40 -8.402 -12.035 -6.479 321 1HD LYS 40 2HD LYS 40 -7.407 -11.526 -8.550 322 2HD LYS 40 1HD LYS 40 -6.325 -12.916 -8.474 323 1HE LYS 40 2HE LYS 40 -9.258 -13.488 -8.469 324 2HE LYS 40 1HE LYS 40 -8.527 -12.964 -10.000 325 1HZ LYS 40 1HZ LYS 40 -7.043 -14.712 -9.999 326 2HZ LYS 40 2HZ LYS 40 -8.427 -15.454 -9.353 327 3HZ LYS 40 3HZ LYS 40 -7.164 -14.968 -8.326 328 H ASN 41 H ASN 41 -5.720 -13.645 -3.523 329 HA ASN 41 HA ASN 41 -7.995 -15.218 -2.962 330 1HB ASN 41 2HB ASN 41 -5.190 -14.964 -1.982 331 2HB ASN 41 1HB ASN 41 -6.284 -15.988 -1.053 332 1HD2 ASN 41 1HD2 ASN 41 -4.713 -15.611 -4.210 333 2HD2 ASN 41 2HD2 ASN 41 -5.078 -17.170 -4.772 334 H ALA 42 H ALA 42 -6.484 -12.699 -0.902 335 HA ALA 42 HA ALA 42 -8.183 -13.283 1.371 336 1HB ALA 42 1HB ALA 42 -6.865 -10.633 0.870 337 2HB ALA 42 2HB ALA 42 -5.871 -12.068 1.144 338 3HB ALA 42 3HB ALA 42 -7.017 -11.538 2.378 339 H VAL 43 H VAL 43 -8.268 -10.570 -1.010 340 HA VAL 43 HA VAL 43 -10.652 -9.428 0.094 341 HB VAL 43 HB VAL 43 -10.745 -8.338 -2.225 342 1HG1 VAL 43 1HG1 VAL 43 -9.464 -6.791 -1.225 343 2HG1 VAL 43 2HG1 VAL 43 -8.024 -7.788 -1.435 344 3HG1 VAL 43 3HG1 VAL 43 -9.039 -7.993 -0.008 345 1HG2 VAL 43 1HG2 VAL 43 -8.085 -8.918 -2.987 346 2HG2 VAL 43 2HG2 VAL 43 -9.562 -9.312 -3.867 347 3HG2 VAL 43 3HG2 VAL 43 -8.873 -10.473 -2.735 348 H GLU 44 H GLU 44 -10.222 -11.698 -2.661 349 HA GLU 44 HA GLU 44 -12.929 -11.830 -3.482 350 1HB GLU 44 2HB GLU 44 -10.522 -13.000 -4.133 351 2HB GLU 44 1HB GLU 44 -11.426 -14.366 -3.482 352 1HG GLU 44 2HG GLU 44 -12.587 -12.482 -5.542 353 2HG GLU 44 1HG GLU 44 -11.707 -13.945 -5.985 354 H THR 45 H THR 45 -11.211 -13.850 -1.073 355 HA THR 45 HA THR 45 -13.630 -15.260 -0.279 356 HB THR 45 HB THR 45 -11.085 -15.081 1.250 357 HG1 THR 45 1HG THR 45 -10.018 -16.022 -0.297 358 1HG2 THR 45 1HG2 THR 45 -13.153 -16.479 1.890 359 2HG2 THR 45 2HG2 THR 45 -11.582 -17.279 1.905 360 3HG2 THR 45 3HG2 THR 45 -12.682 -17.520 0.548 361 H ALA 46 H ALA 46 -11.531 -12.820 1.260 362 HA ALA 46 HA ALA 46 -13.139 -12.528 3.633 363 1HB ALA 46 1HB ALA 46 -11.655 -10.656 4.041 364 2HB ALA 46 2HB ALA 46 -11.252 -10.545 2.327 365 3HB ALA 46 3HB ALA 46 -10.709 -11.930 3.272 366 H PHE 47 H PHE 47 -12.668 -10.147 0.985 367 HA PHE 47 HA PHE 47 -15.019 -8.631 1.726 368 1HB PHE 47 2HB PHE 47 -13.320 -8.703 -0.787 369 2HB PHE 47 1HB PHE 47 -14.450 -7.419 -0.370 370 HD1 PHE 47 1HD PHE 47 -13.896 -7.543 2.679 371 HD2 PHE 47 2HD PHE 47 -11.322 -7.328 -0.751 372 HE1 PHE 47 1HE PHE 47 -12.145 -6.465 4.062 373 HE2 PHE 47 2HE PHE 47 -9.572 -6.249 0.632 374 HZ PHE 47 HZ PHE 47 -9.982 -5.818 3.038 375 H LYS 48 H LYS 48 -14.714 -11.597 0.214 376 HA LYS 48 HA LYS 48 -16.133 -12.884 -1.164 377 1HB LYS 48 2HB LYS 48 -17.853 -11.114 0.561 378 2HB LYS 48 1HB LYS 48 -18.607 -12.238 -0.572 379 1HG LYS 48 2HG LYS 48 -16.668 -13.797 0.644 380 2HG LYS 48 1HG LYS 48 -17.251 -12.787 1.968 381 1HD LYS 48 2HD LYS 48 -18.911 -14.560 0.156 382 2HD LYS 48 1HD LYS 48 -18.643 -14.761 1.887 383 1HE LYS 48 2HE LYS 48 -19.851 -12.680 2.357 384 2HE LYS 48 1HE LYS 48 -20.059 -12.388 0.618 385 1HZ LYS 48 1HZ LYS 48 -21.316 -14.407 2.324 386 2HZ LYS 48 2HZ LYS 48 -20.938 -14.855 0.730 387 3HZ LYS 48 3HZ LYS 48 -21.968 -13.537 1.023 388 H VAL 49 H VAL 49 -14.989 -10.789 -2.590 389 HA VAL 49 HA VAL 49 -17.248 -9.814 -4.286 390 HB VAL 49 HB VAL 49 -15.381 -8.411 -2.845 391 1HG1 VAL 49 1HG1 VAL 49 -13.588 -7.687 -4.098 392 2HG1 VAL 49 2HG1 VAL 49 -14.391 -8.015 -5.633 393 3HG1 VAL 49 3HG1 VAL 49 -13.722 -9.345 -4.685 394 1HG2 VAL 49 1HG2 VAL 49 -17.336 -7.390 -3.664 395 2HG2 VAL 49 2HG2 VAL 49 -16.903 -7.726 -5.340 396 3HG2 VAL 49 3HG2 VAL 49 -16.006 -6.515 -4.424 397 H LYS 50 H LYS 50 -15.701 -9.031 -6.463 398 HA LYS 50 HA LYS 50 -14.575 -11.645 -7.416 399 1HB LYS 50 2HB LYS 50 -16.796 -10.416 -8.318 400 2HB LYS 50 1HB LYS 50 -15.604 -9.574 -9.310 401 1HG LYS 50 2HG LYS 50 -15.198 -12.490 -9.135 402 2HG LYS 50 1HG LYS 50 -16.692 -12.010 -9.942 403 1HD LYS 50 2HD LYS 50 -14.854 -10.244 -10.999 404 2HD LYS 50 1HD LYS 50 -13.911 -11.726 -10.839 405 1HE LYS 50 2HE LYS 50 -15.126 -11.540 -13.047 406 2HE LYS 50 1HE LYS 50 -15.592 -12.976 -12.113 407 1HZ LYS 50 1HZ LYS 50 -17.373 -11.241 -13.023 408 2HZ LYS 50 2HZ LYS 50 -17.025 -10.507 -11.532 409 3HZ LYS 50 3HZ LYS 50 -17.596 -12.106 -11.581 410 H VAL 51 H VAL 51 -12.356 -11.418 -7.463 411 HA VAL 51 HA VAL 51 -11.097 -8.799 -7.748 412 HB VAL 51 HB VAL 51 -9.886 -11.573 -7.938 413 1HG1 VAL 51 1HG1 VAL 51 -7.952 -10.286 -6.856 414 2HG1 VAL 51 2HG1 VAL 51 -8.841 -8.816 -7.247 415 3HG1 VAL 51 3HG1 VAL 51 -8.296 -9.886 -8.538 416 1HG2 VAL 51 1HG2 VAL 51 -11.102 -10.103 -5.678 417 2HG2 VAL 51 2HG2 VAL 51 -9.483 -10.725 -5.360 418 3HG2 VAL 51 3HG2 VAL 51 -10.770 -11.827 -5.849 419 H VAL 52 H VAL 52 -10.883 -7.826 -9.679 420 HA VAL 52 HA VAL 52 -10.733 -9.501 -12.144 421 HB VAL 52 HB VAL 52 -11.896 -6.853 -11.425 422 1HG1 VAL 52 1HG1 VAL 52 -10.856 -6.367 -13.501 423 2HG1 VAL 52 2HG1 VAL 52 -12.541 -6.736 -13.882 424 3HG1 VAL 52 3HG1 VAL 52 -11.286 -7.946 -14.160 425 1HG2 VAL 52 1HG2 VAL 52 -13.423 -8.586 -11.031 426 2HG2 VAL 52 2HG2 VAL 52 -12.898 -9.487 -12.454 427 3HG2 VAL 52 3HG2 VAL 52 -13.859 -8.021 -12.645 428 H LYS 53 H LYS 53 -9.032 -7.378 -10.131 429 HA LYS 53 HA LYS 53 -6.611 -7.430 -11.612 430 1HB LYS 53 2HB LYS 53 -8.636 -5.517 -12.471 431 2HB LYS 53 1HB LYS 53 -7.141 -4.707 -12.000 432 1HG LYS 53 2HG LYS 53 -6.113 -6.764 -13.420 433 2HG LYS 53 1HG LYS 53 -7.653 -6.564 -14.258 434 1HD LYS 53 2HD LYS 53 -6.770 -4.815 -15.364 435 2HD LYS 53 1HD LYS 53 -6.650 -3.956 -13.828 436 1HE LYS 53 2HE LYS 53 -4.437 -4.082 -14.950 437 2HE LYS 53 1HE LYS 53 -4.424 -5.007 -13.435 438 1HZ LYS 53 1HZ LYS 53 -5.310 -6.345 -15.888 439 2HZ LYS 53 2HZ LYS 53 -4.533 -6.996 -14.524 440 3HZ LYS 53 3HZ LYS 53 -3.646 -6.108 -15.669 441 H VAL 54 H VAL 54 -5.264 -7.256 -9.854 442 HA VAL 54 HA VAL 54 -6.027 -5.349 -7.693 443 HB VAL 54 HB VAL 54 -5.020 -8.041 -7.799 444 1HG1 VAL 54 1HG1 VAL 54 -2.757 -7.217 -7.624 445 2HG1 VAL 54 2HG1 VAL 54 -3.237 -7.760 -6.016 446 3HG1 VAL 54 3HG1 VAL 54 -3.226 -6.037 -6.397 447 1HG2 VAL 54 1HG2 VAL 54 -5.736 -8.077 -5.540 448 2HG2 VAL 54 2HG2 VAL 54 -6.789 -6.894 -6.315 449 3HG2 VAL 54 3HG2 VAL 54 -5.426 -6.353 -5.330 450 H ASN 55 H ASN 55 -4.691 -3.606 -7.236 451 HA ASN 55 HA ASN 55 -2.044 -3.527 -8.610 452 1HB ASN 55 2HB ASN 55 -4.383 -1.990 -9.131 453 2HB ASN 55 1HB ASN 55 -3.216 -0.910 -8.369 454 1HD2 ASN 55 1HD2 ASN 55 -3.775 -0.403 -11.033 455 2HD2 ASN 55 2HD2 ASN 55 -2.476 -0.882 -12.015 456 H THR 56 H THR 56 -0.558 -3.471 -6.996 457 HA THR 56 HA THR 56 -1.270 -1.997 -4.503 458 HB THR 56 HB THR 56 -0.326 -3.744 -3.402 459 HG1 THR 56 1HG THR 56 1.814 -3.984 -5.196 460 1HG2 THR 56 1HG2 THR 56 0.073 -4.989 -6.135 461 2HG2 THR 56 2HG2 THR 56 -1.443 -5.007 -5.230 462 3HG2 THR 56 3HG2 THR 56 -0.024 -5.842 -4.595 463 H LEU 57 H LEU 57 0.276 -0.487 -3.641 464 HA LEU 57 HA LEU 57 2.444 0.310 -5.564 465 1HB LEU 57 2HB LEU 57 1.066 2.350 -3.869 466 2HB LEU 57 1HB LEU 57 1.717 2.510 -5.494 467 HG LEU 57 HG LEU 57 -0.368 0.662 -5.762 468 1HD1 LEU 57 1HD1 LEU 57 -1.834 1.049 -4.100 469 2HD1 LEU 57 2HD1 LEU 57 -1.994 2.705 -4.685 470 3HD1 LEU 57 3HD1 LEU 57 -0.804 2.319 -3.440 471 1HD2 LEU 57 1HD2 LEU 57 -1.446 3.090 -6.509 472 2HD2 LEU 57 2HD2 LEU 57 -0.382 2.107 -7.515 473 3HD2 LEU 57 3HD2 LEU 57 0.286 3.420 -6.543 474 H HIS 58 H HIS 58 3.833 2.104 -4.270 475 HA HIS 58 HA HIS 58 4.910 0.705 -1.910 476 1HB HIS 58 2HB HIS 58 5.965 2.167 -3.976 477 2HB HIS 58 1HB HIS 58 5.924 3.372 -2.693 478 HD1 HIS 58 1HD HIS 58 8.402 1.490 -3.972 479 HD2 HIS 58 2HD HIS 58 6.747 1.451 -0.144 480 HE1 HIS 58 1HE HIS 58 10.151 0.476 -2.447 481 H VAL 59 H VAL 59 4.082 1.176 0.097 482 HA VAL 59 HA VAL 59 2.847 3.874 0.481 483 HB VAL 59 HB VAL 59 2.221 2.091 2.626 484 1HG1 VAL 59 1HG1 VAL 59 0.711 3.252 0.279 485 2HG1 VAL 59 2HG1 VAL 59 0.711 3.803 1.955 486 3HG1 VAL 59 3HG1 VAL 59 -0.085 2.289 1.524 487 1HG2 VAL 59 1HG2 VAL 59 1.784 0.872 -0.125 488 2HG2 VAL 59 2HG2 VAL 59 1.108 0.263 1.388 489 3HG2 VAL 59 3HG2 VAL 59 2.851 0.234 1.128 490 H ARG 60 H ARG 60 4.029 5.234 1.639 491 HA ARG 60 HA ARG 60 6.517 5.103 2.622 492 1HB ARG 60 2HB ARG 60 4.033 6.413 3.687 493 2HB ARG 60 1HB ARG 60 5.571 6.654 4.519 494 1HG ARG 60 2HG ARG 60 5.584 8.423 2.992 495 2HG ARG 60 1HG ARG 60 6.475 7.183 2.109 496 1HD ARG 60 2HD ARG 60 3.559 7.002 1.725 497 2HD ARG 60 1HD ARG 60 4.267 8.513 1.120 498 HE ARG 60 HE ARG 60 4.795 5.848 0.044 499 1HH1 ARG 60 1HH2 ARG 60 4.824 8.704 -1.230 500 2HH1 ARG 60 2HH2 ARG 60 6.481 8.785 -1.729 501 1HH2 ARG 60 1HH1 ARG 60 7.469 6.076 0.196 502 2HH2 ARG 60 2HH1 ARG 60 7.978 7.297 -0.922 503 H GLY 61 H GLY 61 7.627 3.829 3.999 504 1HA GLY 61 2HA GLY 61 7.038 3.194 6.634 505 2HA GLY 61 1HA GLY 61 6.290 1.896 5.700 506 H LYS 62 H LYS 62 9.399 3.559 6.217 507 HA LYS 62 HA LYS 62 10.837 1.253 5.009 508 1HB LYS 62 2HB LYS 62 11.630 4.005 6.003 509 2HB LYS 62 1HB LYS 62 12.789 2.837 5.368 510 1HG LYS 62 2HG LYS 62 10.716 2.887 3.479 511 2HG LYS 62 1HG LYS 62 10.965 4.576 3.923 512 1HD LYS 62 2HD LYS 62 13.188 2.677 3.122 513 2HD LYS 62 1HD LYS 62 12.428 3.837 2.031 514 1HE LYS 62 2HE LYS 62 13.255 5.108 4.527 515 2HE LYS 62 1HE LYS 62 14.622 4.361 3.676 516 1HZ LYS 62 1HZ LYS 62 14.243 6.548 2.779 517 2HZ LYS 62 2HZ LYS 62 12.603 6.201 2.504 518 3HZ LYS 62 3HZ LYS 62 13.806 5.395 1.614 519 H LYS 63 H LYS 63 13.025 0.835 6.359 520 HA LYS 63 HA LYS 63 12.205 -0.333 8.885 521 1HB LYS 63 2HB LYS 63 14.026 -0.984 7.105 522 2HB LYS 63 1HB LYS 63 15.051 0.122 8.019 523 1HG LYS 63 2HG LYS 63 13.752 -1.441 9.958 524 2HG LYS 63 1HG LYS 63 14.226 -2.575 8.693 525 1HD LYS 63 2HD LYS 63 16.497 -1.161 8.818 526 2HD LYS 63 1HD LYS 63 15.933 -0.891 10.468 527 1HE LYS 63 2HE LYS 63 15.858 -3.256 10.921 528 2HE LYS 63 1HE LYS 63 16.125 -3.648 9.210 529 1HZ LYS 63 1HZ LYS 63 18.001 -2.165 10.978 530 2HZ LYS 63 2HZ LYS 63 18.241 -2.457 9.322 531 3HZ LYS 63 3HZ LYS 63 18.208 -3.753 10.421 532 H LYS 64 H LYS 64 13.501 2.749 7.950 533 HA LYS 64 HA LYS 64 15.000 3.687 10.051 534 1HB LYS 64 2HB LYS 64 13.341 4.718 7.998 535 2HB LYS 64 1HB LYS 64 12.890 5.572 9.474 536 1HG LYS 64 2HG LYS 64 14.708 6.867 9.155 537 2HG LYS 64 1HG LYS 64 15.681 5.455 9.571 538 1HD LYS 64 2HD LYS 64 15.014 4.972 6.933 539 2HD LYS 64 1HD LYS 64 15.253 6.719 6.959 540 1HE LYS 64 2HE LYS 64 17.465 6.372 8.070 541 2HE LYS 64 1HE LYS 64 17.233 4.619 7.913 542 1HZ LYS 64 1HZ LYS 64 18.455 5.551 6.016 543 2HZ LYS 64 2HZ LYS 64 17.136 6.562 5.665 544 3HZ LYS 64 3HZ LYS 64 16.974 4.875 5.540 545 H ARG 65 H ARG 65 14.542 2.837 12.122 546 HA ARG 65 HA ARG 65 11.864 3.557 13.272 547 1HB ARG 65 2HB ARG 65 13.386 1.095 13.102 548 2HB ARG 65 1HB ARG 65 13.072 1.508 14.788 549 1HG ARG 65 2HG ARG 65 10.910 0.921 14.585 550 2HG ARG 65 1HG ARG 65 10.709 1.997 13.202 551 1HD ARG 65 2HD ARG 65 10.660 0.220 11.803 552 2HD ARG 65 1HD ARG 65 12.246 -0.313 12.397 553 HE ARG 65 HE ARG 65 11.107 -1.563 14.167 554 1HH1 ARG 65 1HH2 ARG 65 9.494 -1.225 11.270 555 2HH1 ARG 65 2HH2 ARG 65 7.931 -1.669 11.871 556 1HH2 ARG 65 1HH1 ARG 65 8.911 -1.639 15.198 557 2HH2 ARG 65 2HH1 ARG 65 7.602 -1.904 14.095 558 H LEU 66 H LEU 66 14.606 4.992 13.212 559 HA LEU 66 HA LEU 66 16.023 5.021 15.566 560 1HB LEU 66 2HB LEU 66 15.898 6.589 13.424 561 2HB LEU 66 1HB LEU 66 14.963 7.618 14.509 562 HG LEU 66 HG LEU 66 16.832 7.463 16.174 563 1HD1 LEU 66 1HD1 LEU 66 17.738 5.500 14.255 564 2HD1 LEU 66 2HD1 LEU 66 18.376 5.854 15.861 565 3HD1 LEU 66 3HD1 LEU 66 18.962 6.754 14.462 566 1HD2 LEU 66 1HD2 LEU 66 16.670 9.397 14.672 567 2HD2 LEU 66 2HD2 LEU 66 17.541 8.517 13.416 568 3HD2 LEU 66 3HD2 LEU 66 18.363 8.966 14.911 569 H GLY 67 H GLY 67 15.620 5.578 17.709 570 1HA GLY 67 2HA GLY 67 13.019 5.584 18.757 571 2HA GLY 67 1HA GLY 67 14.423 6.204 19.618 572 H ARG 68 H ARG 68 11.824 7.099 17.390 573 HA ARG 68 HA ARG 68 12.274 9.958 18.176 574 1HB ARG 68 2HB ARG 68 11.824 10.576 15.923 575 2HB ARG 68 1HB ARG 68 12.866 9.159 15.792 576 1HG ARG 68 2HG ARG 68 10.593 7.837 15.779 577 2HG ARG 68 1HG ARG 68 9.916 9.388 15.283 578 1HD ARG 68 2HD ARG 68 12.206 7.953 13.887 579 2HD ARG 68 1HD ARG 68 10.535 8.057 13.294 580 HE ARG 68 HE ARG 68 12.158 10.519 13.818 581 1HH1 ARG 68 1HH1 ARG 68 9.160 10.249 12.921 582 2HH1 ARG 68 2HH1 ARG 68 9.318 10.704 11.257 583 1HH2 ARG 68 1HH2 ARG 68 12.771 10.383 11.224 584 2HH2 ARG 68 2HH2 ARG 68 11.363 10.781 10.296 585 H TYR 69 H TYR 69 10.390 11.132 18.676 586 HA TYR 69 HA TYR 69 8.131 9.761 19.706 587 1HB TYR 69 2HB TYR 69 7.331 11.942 20.136 588 2HB TYR 69 1HB TYR 69 9.080 12.147 20.082 589 HD1 TYR 69 1HD TYR 69 6.334 13.855 19.246 590 HD2 TYR 69 2HD TYR 69 9.738 12.147 17.260 591 HE1 TYR 69 1HE TYR 69 6.079 15.488 17.399 592 HE2 TYR 69 2HE TYR 69 9.482 13.777 15.417 593 HH TYR 69 HH TYR 69 7.580 15.159 14.435 594 H LEU 70 H LEU 70 6.028 9.437 18.860 595 HA LEU 70 HA LEU 70 4.569 8.761 17.111 596 1HB LEU 70 2HB LEU 70 5.019 11.519 17.311 597 2HB LEU 70 1HB LEU 70 5.036 11.176 15.583 598 HG LEU 70 HG LEU 70 2.898 9.707 16.246 599 1HD1 LEU 70 1HD1 LEU 70 2.810 12.010 18.214 600 2HD1 LEU 70 2HD1 LEU 70 3.176 10.346 18.669 601 3HD1 LEU 70 3HD1 LEU 70 1.596 10.751 17.998 602 1HD2 LEU 70 1HD2 LEU 70 1.606 11.397 15.267 603 2HD2 LEU 70 2HD2 LEU 70 3.228 11.821 14.719 604 3HD2 LEU 70 3HD2 LEU 70 2.501 12.685 16.075 605 H GLY 71 H GLY 71 7.156 7.766 16.705 606 1HA GLY 71 2HA GLY 71 7.517 8.062 13.751 607 2HA GLY 71 1HA GLY 71 8.826 7.637 14.853 608 H LYS 72 H LYS 72 9.365 5.533 14.565 609 HA LYS 72 HA LYS 72 9.126 3.198 14.289 610 1HB LYS 72 2HB LYS 72 6.670 4.132 15.755 611 2HB LYS 72 1HB LYS 72 6.819 2.435 15.299 612 1HG LYS 72 2HG LYS 72 8.330 2.042 16.928 613 2HG LYS 72 1HG LYS 72 9.286 3.452 16.469 614 1HD LYS 72 2HD LYS 72 7.213 4.725 17.600 615 2HD LYS 72 1HD LYS 72 7.120 3.211 18.501 616 1HE LYS 72 2HE LYS 72 9.754 4.659 18.183 617 2HE LYS 72 1HE LYS 72 8.630 5.063 19.496 618 1HZ LYS 72 1HZ LYS 72 10.066 2.556 18.988 619 2HZ LYS 72 2HZ LYS 72 8.523 2.467 19.695 620 3HZ LYS 72 3HZ LYS 72 9.763 3.343 20.459 621 H ARG 73 H ARG 73 8.992 3.894 11.875 622 HA ARG 73 HA ARG 73 6.274 3.474 10.717 623 1HB ARG 73 2HB ARG 73 8.843 4.777 9.934 624 2HB ARG 73 1HB ARG 73 7.851 4.119 8.633 625 1HG ARG 73 2HG ARG 73 6.050 5.540 9.110 626 2HG ARG 73 1HG ARG 73 6.595 5.833 10.762 627 1HD ARG 73 2HD ARG 73 7.631 7.713 10.042 628 2HD ARG 73 1HD ARG 73 8.680 6.709 9.022 629 HE ARG 73 HE ARG 73 6.774 6.783 7.319 630 1HH1 ARG 73 1HH1 ARG 73 8.242 9.376 7.349 631 2HH1 ARG 73 2HH1 ARG 73 6.961 10.528 7.529 632 1HH2 ARG 73 1HH2 ARG 73 4.643 8.179 8.595 633 2HH2 ARG 73 2HH2 ARG 73 4.923 9.851 8.234 634 HA PRO 74 HA PRO 74 7.881 -0.681 9.989 635 1HB PRO 74 2HB PRO 74 5.448 -1.779 9.432 636 2HB PRO 74 1HB PRO 74 6.019 -1.496 11.088 637 1HG PRO 74 2HG PRO 74 4.104 0.080 9.451 638 2HG PRO 74 1HG PRO 74 4.086 -0.272 11.187 639 1HD PRO 74 2HD PRO 74 4.898 2.116 10.114 640 2HD PRO 74 1HD PRO 74 5.441 1.495 11.687 641 H ASP 75 H ASP 75 6.743 -2.254 8.045 642 HA ASP 75 HA ASP 75 7.062 -0.627 5.561 643 1HB ASP 75 2HB ASP 75 7.900 -3.384 6.435 644 2HB ASP 75 1HB ASP 75 7.683 -3.048 4.717 645 H ARG 76 H ARG 76 4.809 -0.203 5.438 646 HA ARG 76 HA ARG 76 2.943 -2.502 5.281 647 1HB ARG 76 2HB ARG 76 1.294 -0.910 5.717 648 2HB ARG 76 1HB ARG 76 2.686 -0.176 6.507 649 1HG ARG 76 2HG ARG 76 1.842 0.456 3.661 650 2HG ARG 76 1HG ARG 76 1.368 1.414 5.062 651 1HD ARG 76 2HD ARG 76 4.212 0.910 4.114 652 2HD ARG 76 1HD ARG 76 3.339 2.453 4.076 653 HE ARG 76 HE ARG 76 4.641 1.384 6.394 654 1HH1 ARG 76 1HH1 ARG 76 3.105 4.088 5.557 655 2HH1 ARG 76 2HH1 ARG 76 2.144 4.275 6.984 656 1HH2 ARG 76 1HH2 ARG 76 2.797 1.079 8.162 657 2HH2 ARG 76 2HH2 ARG 76 1.969 2.572 8.459 658 H LYS 77 H LYS 77 1.618 -2.848 3.405 659 HA LYS 77 HA LYS 77 2.675 -1.605 0.884 660 1HB LYS 77 2HB LYS 77 3.235 -4.052 1.460 661 2HB LYS 77 1HB LYS 77 1.527 -4.387 1.186 662 1HG LYS 77 2HG LYS 77 1.752 -3.336 -1.087 663 2HG LYS 77 1HG LYS 77 3.490 -3.231 -0.807 664 1HD LYS 77 2HD LYS 77 3.806 -5.472 -1.090 665 2HD LYS 77 1HD LYS 77 2.289 -5.886 -0.290 666 1HE LYS 77 2HE LYS 77 1.343 -4.665 -2.544 667 2HE LYS 77 1HE LYS 77 2.826 -5.420 -3.164 668 1HZ LYS 77 1HZ LYS 77 1.013 -7.004 -3.216 669 2HZ LYS 77 2HZ LYS 77 0.711 -6.763 -1.562 670 3HZ LYS 77 3HZ LYS 77 2.163 -7.488 -2.067 671 H LYS 78 H LYS 78 1.083 -0.886 -0.570 672 HA LYS 78 HA LYS 78 -1.721 -0.968 0.436 673 1HB LYS 78 2HB LYS 78 -0.011 0.991 -0.645 674 2HB LYS 78 1HB LYS 78 -1.217 0.679 -1.896 675 1HG LYS 78 2HG LYS 78 -3.023 1.027 -0.254 676 2HG LYS 78 1HG LYS 78 -1.823 1.335 1.003 677 1HD LYS 78 2HD LYS 78 -0.936 3.144 -0.690 678 2HD LYS 78 1HD LYS 78 -2.563 3.031 -1.361 679 1HE LYS 78 2HE LYS 78 -3.567 3.673 0.729 680 2HE LYS 78 1HE LYS 78 -2.023 3.504 1.588 681 1HZ LYS 78 1HZ LYS 78 -1.133 5.337 0.546 682 2HZ LYS 78 2HZ LYS 78 -2.746 5.830 0.740 683 3HZ LYS 78 3HZ LYS 78 -2.204 5.261 -0.766 684 H ALA 79 H ALA 79 -3.291 -2.127 -0.716 685 HA ALA 79 HA ALA 79 -2.475 -3.210 -3.395 686 1HB ALA 79 1HB ALA 79 -4.447 -4.646 -1.740 687 2HB ALA 79 2HB ALA 79 -2.787 -4.637 -1.134 688 3HB ALA 79 3HB ALA 79 -3.139 -5.279 -2.745 689 H ILE 80 H ILE 80 -3.772 -2.424 -4.970 690 HA ILE 80 HA ILE 80 -6.482 -1.443 -4.300 691 HB ILE 80 HB ILE 80 -4.803 -1.320 -6.815 692 1HG1 ILE 80 2HG1 ILE 80 -5.226 0.597 -4.511 693 2HG1 ILE 80 1HG1 ILE 80 -3.700 -0.066 -5.094 694 1HG2 ILE 80 1HG2 ILE 80 -7.512 -0.983 -6.616 695 2HG2 ILE 80 2HG2 ILE 80 -6.497 -0.177 -7.813 696 3HG2 ILE 80 3HG2 ILE 80 -6.937 0.660 -6.324 697 1HD1 ILE 80 1HD1 ILE 80 -3.939 2.222 -5.900 698 2HD1 ILE 80 2HD1 ILE 80 -5.519 1.840 -6.587 699 3HD1 ILE 80 3HD1 ILE 80 -4.060 1.106 -7.261 700 H VAL 81 H VAL 81 -8.033 -3.057 -4.385 701 HA VAL 81 HA VAL 81 -7.699 -5.274 -6.337 702 HB VAL 81 HB VAL 81 -9.914 -4.888 -4.320 703 1HG1 VAL 81 1HG1 VAL 81 -9.461 -6.840 -6.173 704 2HG1 VAL 81 2HG1 VAL 81 -10.329 -7.101 -4.661 705 3HG1 VAL 81 3HG1 VAL 81 -8.616 -7.505 -4.775 706 1HG2 VAL 81 1HG2 VAL 81 -8.014 -6.488 -3.086 707 2HG2 VAL 81 2HG2 VAL 81 -8.325 -4.795 -2.701 708 3HG2 VAL 81 3HG2 VAL 81 -7.039 -5.221 -3.831 709 H GLN 82 H GLN 82 -8.931 -5.400 -8.190 710 HA GLN 82 HA GLN 82 -11.074 -3.334 -8.560 711 1HB GLN 82 2HB GLN 82 -9.201 -3.115 -10.074 712 2HB GLN 82 1HB GLN 82 -9.253 -4.825 -10.472 713 1HG GLN 82 2HG GLN 82 -10.468 -4.078 -12.258 714 2HG GLN 82 1HG GLN 82 -11.793 -4.127 -11.095 715 1HE2 GLN 82 1HE2 GLN 82 -12.989 -2.283 -11.750 716 2HE2 GLN 82 2HE2 GLN 82 -12.349 -0.711 -11.773 717 H VAL 83 H VAL 83 -13.108 -4.061 -9.278 718 HA VAL 83 HA VAL 83 -13.335 -7.015 -9.572 719 HB VAL 83 HB VAL 83 -15.287 -6.998 -8.231 720 1HG1 VAL 83 1HG1 VAL 83 -13.516 -4.852 -7.023 721 2HG1 VAL 83 2HG1 VAL 83 -13.145 -6.576 -6.985 722 3HG1 VAL 83 3HG1 VAL 83 -14.575 -5.964 -6.155 723 1HG2 VAL 83 1HG2 VAL 83 -16.444 -4.920 -7.581 724 2HG2 VAL 83 2HG2 VAL 83 -16.353 -5.060 -9.339 725 3HG2 VAL 83 3HG2 VAL 83 -15.257 -3.971 -8.481 726 H ALA 84 H ALA 84 -15.078 -7.722 -10.942 727 HA ALA 84 HA ALA 84 -15.290 -6.555 -13.458 728 1HB ALA 84 1HB ALA 84 -16.199 -8.626 -13.494 729 2HB ALA 84 2HB ALA 84 -17.708 -7.815 -13.078 730 3HB ALA 84 3HB ALA 84 -16.707 -8.523 -11.805 731 HA PRO 85 HA PRO 85 -18.201 -3.284 -13.207 732 1HB PRO 85 2HB PRO 85 -19.651 -3.647 -15.497 733 2HB PRO 85 1HB PRO 85 -17.969 -3.109 -15.505 734 1HG PRO 85 2HG PRO 85 -19.088 -5.732 -16.145 735 2HG PRO 85 1HG PRO 85 -17.642 -4.946 -16.769 736 1HD PRO 85 2HD PRO 85 -17.699 -6.966 -14.838 737 2HD PRO 85 1HD PRO 85 -16.326 -5.908 -15.196 738 H GLY 86 H GLY 86 -19.089 -5.144 -11.442 739 1HA GLY 86 2HA GLY 86 -21.983 -4.861 -11.585 740 2HA GLY 86 1HA GLY 86 -21.460 -6.533 -11.786 741 H GLN 87 H GLN 87 -19.160 -6.301 -10.018 742 HA GLN 87 HA GLN 87 -20.625 -6.274 -7.411 743 1HB GLN 87 2HB GLN 87 -18.533 -7.647 -6.753 744 2HB GLN 87 1HB GLN 87 -19.665 -8.403 -7.872 745 1HG GLN 87 2HG GLN 87 -17.510 -6.756 -9.083 746 2HG GLN 87 1HG GLN 87 -17.022 -8.288 -8.355 747 1HE2 GLN 87 1HE2 GLN 87 -18.489 -10.237 -9.055 748 2HE2 GLN 87 2HE2 GLN 87 -18.988 -10.260 -10.676 749 H LYS 88 H LYS 88 -18.940 -5.760 -5.535 750 HA LYS 88 HA LYS 88 -16.769 -3.952 -6.019 751 1HB LYS 88 2HB LYS 88 -18.125 -1.874 -5.281 752 2HB LYS 88 1HB LYS 88 -18.361 -2.444 -6.933 753 1HG LYS 88 2HG LYS 88 -20.475 -3.276 -6.495 754 2HG LYS 88 1HG LYS 88 -20.119 -3.574 -4.794 755 1HD LYS 88 2HD LYS 88 -21.555 -1.713 -4.714 756 2HD LYS 88 1HD LYS 88 -19.952 -0.984 -4.607 757 1HE LYS 88 2HE LYS 88 -20.037 -0.149 -6.782 758 2HE LYS 88 1HE LYS 88 -21.181 -1.395 -7.322 759 1HZ LYS 88 1HZ LYS 88 -22.808 -0.413 -5.735 760 2HZ LYS 88 2HZ LYS 88 -22.407 0.610 -7.029 761 3HZ LYS 88 3HZ LYS 88 -21.734 0.877 -5.493 762 H ILE 89 H ILE 89 -15.651 -4.436 -4.168 763 HA ILE 89 HA ILE 89 -16.539 -5.517 -1.780 764 HB ILE 89 HB ILE 89 -14.393 -3.428 -2.284 765 1HG1 ILE 89 2HG1 ILE 89 -14.280 -6.460 -2.144 766 2HG1 ILE 89 1HG1 ILE 89 -14.226 -5.513 -3.631 767 1HG2 ILE 89 1HG2 ILE 89 -13.637 -5.152 -0.192 768 2HG2 ILE 89 2HG2 ILE 89 -15.301 -4.685 0.165 769 3HG2 ILE 89 3HG2 ILE 89 -14.066 -3.445 -0.054 770 1HD1 ILE 89 1HD1 ILE 89 -12.148 -5.837 -1.513 771 2HD1 ILE 89 2HD1 ILE 89 -12.241 -4.283 -2.337 772 3HD1 ILE 89 3HD1 ILE 89 -11.960 -5.758 -3.264 773 H GLU 90 H GLU 90 -18.557 -4.665 -1.088 774 HA GLU 90 HA GLU 90 -19.290 -1.948 -0.827 775 1HB GLU 90 2HB GLU 90 -20.017 -4.484 0.651 776 2HB GLU 90 1HB GLU 90 -20.841 -2.954 0.956 777 1HG GLU 90 2HG GLU 90 -20.753 -3.216 -1.847 778 2HG GLU 90 1HG GLU 90 -21.208 -4.808 -1.236 779 H ALA 91 H ALA 91 -16.954 -3.721 0.983 780 HA ALA 91 HA ALA 91 -17.109 -2.591 3.561 781 1HB ALA 91 1HB ALA 91 -15.599 -4.412 2.778 782 2HB ALA 91 2HB ALA 91 -14.718 -3.157 3.650 783 3HB ALA 91 3HB ALA 91 -14.653 -3.218 1.888 784 H LEU 92 H LEU 92 -15.934 -1.169 0.549 785 HA LEU 92 HA LEU 92 -15.101 1.295 2.039 786 1HB LEU 92 2HB LEU 92 -14.622 0.995 -0.886 787 2HB LEU 92 1HB LEU 92 -13.545 1.607 0.364 788 HG LEU 92 HG LEU 92 -14.227 -1.302 -0.126 789 1HD1 LEU 92 1HD1 LEU 92 -12.404 0.375 -1.436 790 2HD1 LEU 92 2HD1 LEU 92 -12.405 -1.389 -1.456 791 3HD1 LEU 92 3HD1 LEU 92 -11.428 -0.520 -0.273 792 1HD2 LEU 92 1HD2 LEU 92 -12.730 0.163 2.021 793 2HD2 LEU 92 2HD2 LEU 92 -12.154 -1.430 1.525 794 3HD2 LEU 92 3HD2 LEU 92 -13.788 -1.242 2.159 795 H GLU 93 H GLU 93 -17.403 -0.008 -0.219 796 HA GLU 93 HA GLU 93 -18.285 2.307 -1.556 797 1HB GLU 93 2HB GLU 93 -19.755 -0.143 -0.536 798 2HB GLU 93 1HB GLU 93 -20.441 0.998 -1.695 799 1HG GLU 93 2HG GLU 93 -17.801 -0.413 -2.138 800 2HG GLU 93 1HG GLU 93 -19.339 -1.044 -2.726 801 H GLY 94 H GLY 94 -18.831 1.262 1.754 802 1HA GLY 94 2HA GLY 94 -20.713 3.547 2.152 803 2HA GLY 94 1HA GLY 94 -20.622 2.135 3.205 804 H LEU 95 H LEU 95 -17.642 3.488 2.072 805 HA LEU 95 HA LEU 95 -17.027 4.362 4.854 806 1HB LEU 95 2HB LEU 95 -15.699 2.933 2.809 807 2HB LEU 95 1HB LEU 95 -14.843 4.467 2.958 808 HG LEU 95 HG LEU 95 -14.628 4.122 5.388 809 1HD1 LEU 95 1HD1 LEU 95 -15.543 1.294 5.144 810 2HD1 LEU 95 2HD1 LEU 95 -16.790 2.539 5.221 811 3HD1 LEU 95 3HD1 LEU 95 -15.618 2.384 6.529 812 1HD2 LEU 95 1HD2 LEU 95 -12.702 3.268 4.472 813 2HD2 LEU 95 2HD2 LEU 95 -13.576 2.188 3.386 814 3HD2 LEU 95 3HD2 LEU 95 -13.363 1.751 5.082 815 H ILE 96 H ILE 96 -18.238 5.755 2.115 816 HA ILE 96 HA ILE 96 -16.573 8.162 1.991 817 HB ILE 96 HB ILE 96 -19.181 7.208 0.798 818 1HG1 ILE 96 2HG1 ILE 96 -17.313 8.005 -1.149 819 2HG1 ILE 96 1HG1 ILE 96 -16.367 7.173 0.086 820 1HG2 ILE 96 1HG2 ILE 96 -17.862 9.924 0.550 821 2HG2 ILE 96 2HG2 ILE 96 -19.516 9.574 1.054 822 3HG2 ILE 96 3HG2 ILE 96 -19.031 9.313 -0.621 823 1HD1 ILE 96 1HD1 ILE 96 -18.383 6.097 -1.780 824 2HD1 ILE 96 2HD1 ILE 96 -18.550 5.531 -0.118 825 3HD1 ILE 96 3HD1 ILE 96 -17.036 5.282 -0.986 Start of MODEL 22 1 1H MET 1 1HT MET 1 -6.436 -19.487 6.798 2 2H MET 1 2HT MET 1 -4.932 -19.707 6.040 3 3H MET 1 3HT MET 1 -6.182 -20.832 5.796 4 HA MET 1 HA MET 1 -6.339 -19.613 3.856 5 1HB MET 1 2HB MET 1 -8.318 -19.531 5.676 6 2HB MET 1 1HB MET 1 -8.007 -17.798 5.545 7 1HG MET 1 2HG MET 1 -9.263 -17.794 3.679 8 2HG MET 1 1HG MET 1 -7.993 -18.739 2.900 9 1HE MET 1 1HE MET 1 -11.358 -18.374 3.140 10 2HE MET 1 2HE MET 1 -11.441 -18.854 4.832 11 3HE MET 1 3HE MET 1 -12.185 -19.869 3.599 12 H LYS 2 H LYS 2 -4.465 -18.421 3.228 13 HA LYS 2 HA LYS 2 -3.794 -15.927 4.637 14 1HB LYS 2 2HB LYS 2 -2.645 -16.452 1.960 15 2HB LYS 2 1HB LYS 2 -1.836 -16.024 3.450 16 1HG LYS 2 2HG LYS 2 -2.635 -18.498 4.132 17 2HG LYS 2 1HG LYS 2 -2.523 -18.721 2.386 18 1HD LYS 2 2HD LYS 2 -0.203 -17.632 2.558 19 2HD LYS 2 1HD LYS 2 -0.344 -17.875 4.299 20 1HE LYS 2 2HE LYS 2 -0.113 -20.160 4.133 21 2HE LYS 2 1HE LYS 2 -0.957 -20.231 2.573 22 1HZ LYS 2 1HZ LYS 2 1.555 -18.744 2.682 23 2HZ LYS 2 2HZ LYS 2 0.903 -19.677 1.421 24 3HZ LYS 2 3HZ LYS 2 1.663 -20.436 2.739 25 H THR 3 H THR 3 -6.008 -15.046 4.259 26 HA THR 3 HA THR 3 -6.249 -13.830 1.531 27 HB THR 3 HB THR 3 -8.692 -13.865 2.037 28 HG1 THR 3 1HG THR 3 -7.954 -15.399 4.293 29 1HG2 THR 3 1HG2 THR 3 -6.972 -16.094 1.552 30 2HG2 THR 3 2HG2 THR 3 -8.638 -15.863 1.023 31 3HG2 THR 3 3HG2 THR 3 -8.304 -16.634 2.572 32 H ALA 4 H ALA 4 -8.144 -13.009 4.378 33 HA ALA 4 HA ALA 4 -7.152 -10.210 4.226 34 1HB ALA 4 1HB ALA 4 -9.430 -10.118 4.436 35 2HB ALA 4 2HB ALA 4 -9.093 -10.320 6.157 36 3HB ALA 4 3HB ALA 4 -9.519 -11.721 5.169 37 H TYR 5 H TYR 5 -7.078 -13.050 6.210 38 HA TYR 5 HA TYR 5 -6.412 -12.514 8.776 39 1HB TYR 5 2HB TYR 5 -5.002 -14.472 8.605 40 2HB TYR 5 1HB TYR 5 -6.257 -14.654 7.372 41 HD1 TYR 5 1HD TYR 5 -5.573 -13.149 5.141 42 HD2 TYR 5 2HD TYR 5 -2.860 -15.092 7.826 43 HE1 TYR 5 1HE TYR 5 -3.864 -13.069 3.391 44 HE2 TYR 5 2HE TYR 5 -1.113 -15.055 6.060 45 HH TYR 5 HH TYR 5 -0.541 -14.221 4.064 46 H ASP 6 H ASP 6 -4.430 -11.486 6.014 47 HA ASP 6 HA ASP 6 -2.694 -9.894 7.778 48 1HB ASP 6 2HB ASP 6 -1.838 -12.228 7.876 49 2HB ASP 6 1HB ASP 6 -1.706 -12.247 6.113 50 H VAL 7 H VAL 7 -2.626 -11.382 4.528 51 HA VAL 7 HA VAL 7 -1.288 -9.550 3.005 52 HB VAL 7 HB VAL 7 -3.947 -10.877 2.383 53 1HG1 VAL 7 1HG1 VAL 7 -2.577 -9.011 0.849 54 2HG1 VAL 7 2HG1 VAL 7 -3.756 -10.182 0.253 55 3HG1 VAL 7 3HG1 VAL 7 -2.037 -10.566 0.209 56 1HG2 VAL 7 1HG2 VAL 7 -1.708 -12.138 3.128 57 2HG2 VAL 7 2HG2 VAL 7 -1.347 -11.929 1.418 58 3HG2 VAL 7 3HG2 VAL 7 -2.806 -12.791 1.910 59 H ILE 8 H ILE 8 -4.634 -9.196 2.233 60 HA ILE 8 HA ILE 8 -4.424 -6.279 2.386 61 HB ILE 8 HB ILE 8 -6.605 -8.221 1.566 62 1HG1 ILE 8 2HG1 ILE 8 -4.557 -6.759 -0.129 63 2HG1 ILE 8 1HG1 ILE 8 -4.433 -8.451 0.347 64 1HG2 ILE 8 1HG2 ILE 8 -6.296 -5.482 0.383 65 2HG2 ILE 8 2HG2 ILE 8 -6.949 -5.574 2.023 66 3HG2 ILE 8 3HG2 ILE 8 -7.771 -6.402 0.702 67 1HD1 ILE 8 1HD1 ILE 8 -6.329 -7.158 -1.563 68 2HD1 ILE 8 2HD1 ILE 8 -6.894 -8.553 -0.644 69 3HD1 ILE 8 3HD1 ILE 8 -5.485 -8.698 -1.688 70 H LEU 9 H LEU 9 -4.626 -5.566 4.534 71 HA LEU 9 HA LEU 9 -6.588 -6.803 6.351 72 1HB LEU 9 2HB LEU 9 -4.627 -4.498 6.563 73 2HB LEU 9 1HB LEU 9 -5.605 -5.082 7.910 74 HG LEU 9 HG LEU 9 -3.733 -6.850 6.314 75 1HD1 LEU 9 1HD1 LEU 9 -2.090 -5.727 7.405 76 2HD1 LEU 9 2HD1 LEU 9 -2.658 -6.583 8.838 77 3HD1 LEU 9 3HD1 LEU 9 -3.230 -4.949 8.503 78 1HD2 LEU 9 1HD2 LEU 9 -5.740 -7.272 8.377 79 2HD2 LEU 9 2HD2 LEU 9 -4.154 -7.828 8.910 80 3HD2 LEU 9 3HD2 LEU 9 -4.859 -8.464 7.423 81 H ALA 10 H ALA 10 -6.139 -3.345 6.443 82 HA ALA 10 HA ALA 10 -9.051 -3.001 5.847 83 1HB ALA 10 1HB ALA 10 -7.761 -0.724 7.048 84 2HB ALA 10 2HB ALA 10 -7.296 -2.182 7.926 85 3HB ALA 10 3HB ALA 10 -9.002 -1.769 7.738 86 HA PRO 11 HA PRO 11 -8.024 -0.636 2.281 87 1HB PRO 11 2HB PRO 11 -10.230 0.980 2.148 88 2HB PRO 11 1HB PRO 11 -10.271 -0.745 1.732 89 1HG PRO 11 2HG PRO 11 -11.153 0.623 4.220 90 2HG PRO 11 1HG PRO 11 -11.879 -0.747 3.366 91 1HD PRO 11 2HD PRO 11 -10.357 -0.997 5.624 92 2HD PRO 11 1HD PRO 11 -10.528 -2.274 4.399 93 H VAL 12 H VAL 12 -7.918 1.816 1.617 94 HA VAL 12 HA VAL 12 -7.008 3.386 4.006 95 HB VAL 12 HB VAL 12 -5.302 4.265 2.609 96 1HG1 VAL 12 1HG1 VAL 12 -5.451 1.596 3.042 97 2HG1 VAL 12 2HG1 VAL 12 -4.091 2.363 2.221 98 3HG1 VAL 12 3HG1 VAL 12 -5.379 1.612 1.280 99 1HG2 VAL 12 1HG2 VAL 12 -6.778 3.084 0.236 100 2HG2 VAL 12 2HG2 VAL 12 -5.306 4.054 0.172 101 3HG2 VAL 12 3HG2 VAL 12 -6.824 4.786 0.699 102 H LEU 13 H LEU 13 -7.873 5.437 4.279 103 HA LEU 13 HA LEU 13 -9.967 6.274 2.323 104 1HB LEU 13 2HB LEU 13 -9.355 6.916 5.220 105 2HB LEU 13 1HB LEU 13 -10.609 7.745 4.299 106 HG LEU 13 HG LEU 13 -11.691 5.945 5.465 107 1HD1 LEU 13 1HD1 LEU 13 -12.815 5.049 3.670 108 2HD1 LEU 13 2HD1 LEU 13 -11.329 4.602 2.830 109 3HD1 LEU 13 3HD1 LEU 13 -11.892 6.274 2.799 110 1HD2 LEU 13 1HD2 LEU 13 -9.364 4.719 5.649 111 2HD2 LEU 13 2HD2 LEU 13 -9.893 3.912 4.172 112 3HD2 LEU 13 3HD2 LEU 13 -10.851 3.770 5.646 113 H SER 14 H SER 14 -9.166 7.695 0.821 114 HA SER 14 HA SER 14 -7.889 10.177 1.711 115 1HB SER 14 2HB SER 14 -6.328 8.330 -0.106 116 2HB SER 14 1HB SER 14 -5.752 9.776 0.720 117 HG SER 14 HG SER 14 -5.101 8.255 2.075 118 H GLU 15 H GLU 15 -8.202 11.786 0.152 119 HA GLU 15 HA GLU 15 -10.134 11.664 -1.815 120 1HB GLU 15 2HB GLU 15 -8.288 13.479 -0.902 121 2HB GLU 15 1HB GLU 15 -7.740 13.228 -2.560 122 1HG GLU 15 2HG GLU 15 -10.410 13.441 -2.978 123 2HG GLU 15 1HG GLU 15 -10.238 14.481 -1.564 124 H LYS 16 H LYS 16 -6.626 11.247 -2.464 125 HA LYS 16 HA LYS 16 -6.795 10.551 -5.177 126 1HB LYS 16 2HB LYS 16 -4.937 10.190 -2.902 127 2HB LYS 16 1HB LYS 16 -4.692 9.077 -4.247 128 1HG LYS 16 2HG LYS 16 -5.156 11.854 -5.091 129 2HG LYS 16 1HG LYS 16 -3.694 11.643 -4.127 130 1HD LYS 16 2HD LYS 16 -3.635 9.465 -5.843 131 2HD LYS 16 1HD LYS 16 -4.259 10.763 -6.862 132 1HE LYS 16 2HE LYS 16 -2.347 12.155 -6.412 133 2HE LYS 16 1HE LYS 16 -1.781 11.062 -5.133 134 1HZ LYS 16 1HZ LYS 16 -1.983 10.499 -8.039 135 2HZ LYS 16 2HZ LYS 16 -1.765 9.280 -6.876 136 3HZ LYS 16 3HZ LYS 16 -0.586 10.486 -7.078 137 H ALA 17 H ALA 17 -7.580 8.676 -2.330 138 HA ALA 17 HA ALA 17 -7.643 6.111 -3.790 139 1HB ALA 17 1HB ALA 17 -8.408 6.979 -0.983 140 2HB ALA 17 2HB ALA 17 -6.894 6.214 -1.466 141 3HB ALA 17 3HB ALA 17 -8.405 5.306 -1.538 142 H TYR 18 H TYR 18 -10.077 7.908 -1.856 143 HA TYR 18 HA TYR 18 -12.384 6.575 -2.631 144 1HB TYR 18 2HB TYR 18 -11.641 9.339 -1.829 145 2HB TYR 18 1HB TYR 18 -13.251 9.139 -2.522 146 HD1 TYR 18 1HD TYR 18 -11.992 9.568 0.494 147 HD2 TYR 18 2HD TYR 18 -13.967 6.422 -1.660 148 HE1 TYR 18 1HE TYR 18 -12.798 8.609 2.636 149 HE2 TYR 18 2HE TYR 18 -14.771 5.458 0.483 150 HH TYR 18 HH TYR 18 -14.314 7.145 3.538 151 H ALA 19 H ALA 19 -10.764 9.209 -4.419 152 HA ALA 19 HA ALA 19 -12.698 9.164 -6.599 153 1HB ALA 19 1HB ALA 19 -9.889 10.308 -6.414 154 2HB ALA 19 2HB ALA 19 -11.348 11.137 -5.872 155 3HB ALA 19 3HB ALA 19 -11.125 10.773 -7.583 156 H GLY 20 H GLY 20 -10.143 7.136 -5.700 157 1HA GLY 20 2HA GLY 20 -9.645 6.266 -8.515 158 2HA GLY 20 1HA GLY 20 -8.585 5.908 -7.148 159 H PHE 21 H PHE 21 -10.585 5.146 -5.291 160 HA PHE 21 HA PHE 21 -11.062 2.409 -6.170 161 1HB PHE 21 2HB PHE 21 -10.852 2.216 -3.925 162 2HB PHE 21 1HB PHE 21 -10.879 3.963 -3.757 163 HD1 PHE 21 1HD PHE 21 -13.369 1.258 -4.581 164 HD2 PHE 21 2HD PHE 21 -12.461 4.759 -2.268 165 HE1 PHE 21 1HE PHE 21 -15.595 1.120 -3.496 166 HE2 PHE 21 2HE PHE 21 -14.684 4.624 -1.186 167 HZ PHE 21 HZ PHE 21 -16.253 2.802 -1.798 168 H ALA 22 H ALA 22 -12.797 5.383 -6.157 169 HA ALA 22 HA ALA 22 -15.477 4.559 -6.041 170 1HB ALA 22 1HB ALA 22 -15.288 6.627 -7.919 171 2HB ALA 22 2HB ALA 22 -13.859 6.809 -6.901 172 3HB ALA 22 3HB ALA 22 -15.465 6.813 -6.173 173 H GLU 23 H GLU 23 -13.084 3.919 -8.431 174 HA GLU 23 HA GLU 23 -15.073 3.360 -10.568 175 1HB GLU 23 2HB GLU 23 -12.529 4.418 -10.492 176 2HB GLU 23 1HB GLU 23 -12.220 2.753 -10.981 177 1HG GLU 23 2HG GLU 23 -13.605 2.940 -12.900 178 2HG GLU 23 1HG GLU 23 -14.357 4.422 -12.308 179 H GLY 24 H GLY 24 -14.406 1.691 -7.958 180 1HA GLY 24 2HA GLY 24 -14.954 -0.639 -7.705 181 2HA GLY 24 1HA GLY 24 -14.436 -0.889 -9.365 182 H LYS 25 H LYS 25 -12.154 1.081 -8.134 183 HA LYS 25 HA LYS 25 -10.216 -1.101 -7.806 184 1HB LYS 25 2HB LYS 25 -10.077 1.931 -7.640 185 2HB LYS 25 1HB LYS 25 -8.665 0.880 -7.586 186 1HG LYS 25 2HG LYS 25 -8.748 0.450 -9.820 187 2HG LYS 25 1HG LYS 25 -10.509 0.358 -9.832 188 1HD LYS 25 2HD LYS 25 -10.711 2.758 -9.860 189 2HD LYS 25 1HD LYS 25 -8.981 2.960 -9.579 190 1HE LYS 25 2HE LYS 25 -8.662 1.634 -11.786 191 2HE LYS 25 1HE LYS 25 -10.373 2.002 -12.084 192 1HZ LYS 25 1HZ LYS 25 -9.764 4.364 -11.444 193 2HZ LYS 25 2HZ LYS 25 -9.212 3.826 -12.957 194 3HZ LYS 25 3HZ LYS 25 -8.145 3.901 -11.637 195 H TYR 26 H TYR 26 -9.223 -1.678 -5.807 196 HA TYR 26 HA TYR 26 -10.279 -0.258 -3.391 197 1HB TYR 26 2HB TYR 26 -9.892 -3.217 -3.905 198 2HB TYR 26 1HB TYR 26 -10.324 -2.537 -2.336 199 HD1 TYR 26 1HD TYR 26 -12.082 -0.252 -3.502 200 HD2 TYR 26 2HD TYR 26 -11.929 -4.485 -4.218 201 HE1 TYR 26 1HE TYR 26 -14.463 -0.223 -4.174 202 HE2 TYR 26 2HE TYR 26 -14.316 -4.452 -4.886 203 HH TYR 26 HH TYR 26 -15.929 -1.923 -5.821 204 H THR 27 H THR 27 -8.406 0.917 -2.960 205 HA THR 27 HA THR 27 -5.755 -0.269 -2.912 206 HB THR 27 HB THR 27 -6.727 2.291 -1.620 207 HG1 THR 27 1HG THR 27 -7.396 2.691 -3.582 208 1HG2 THR 27 1HG2 THR 27 -4.187 1.060 -1.958 209 2HG2 THR 27 2HG2 THR 27 -4.535 2.658 -1.297 210 3HG2 THR 27 3HG2 THR 27 -4.233 2.465 -3.025 211 H PHE 28 H PHE 28 -5.120 -1.601 -1.234 212 HA PHE 28 HA PHE 28 -6.459 -1.183 1.416 213 1HB PHE 28 2HB PHE 28 -6.098 -3.466 -0.345 214 2HB PHE 28 1HB PHE 28 -5.467 -3.796 1.271 215 HD1 PHE 28 1HD PHE 28 -8.445 -3.177 -0.733 216 HD2 PHE 28 2HD PHE 28 -6.910 -3.511 3.263 217 HE1 PHE 28 1HE PHE 28 -10.762 -3.368 0.137 218 HE2 PHE 28 2HE PHE 28 -9.229 -3.705 4.137 219 HZ PHE 28 HZ PHE 28 -11.154 -3.631 2.573 220 H TRP 29 H TRP 29 -5.144 -1.875 3.282 221 HA TRP 29 HA TRP 29 -2.295 -1.097 2.966 222 1HB TRP 29 2HB TRP 29 -4.305 -1.346 5.211 223 2HB TRP 29 1HB TRP 29 -2.581 -1.288 5.579 224 HD1 TRP 29 HD TRP 29 -5.273 0.974 5.574 225 HE1 TRP 29 1HE TRP 29 -4.580 3.380 4.959 226 HE3 TRP 29 3HE TRP 29 -0.716 0.065 3.460 227 HZ2 TRP 29 2HZ TRP 29 -2.381 4.740 3.732 228 HZ3 TRP 29 3HZ TRP 29 0.655 1.929 2.578 229 HH2 TRP 29 HH TRP 29 -0.170 4.264 2.710 230 H VAL 30 H VAL 30 -0.870 -2.812 2.759 231 HA VAL 30 HA VAL 30 -1.625 -5.362 4.085 232 HB VAL 30 HB VAL 30 -2.540 -5.366 1.888 233 1HG1 VAL 30 1HG1 VAL 30 -0.933 -5.054 -0.096 234 2HG1 VAL 30 2HG1 VAL 30 0.173 -4.333 1.074 235 3HG1 VAL 30 3HG1 VAL 30 -1.404 -3.599 0.784 236 1HG2 VAL 30 1HG2 VAL 30 -0.143 -6.837 1.149 237 2HG2 VAL 30 2HG2 VAL 30 -1.812 -7.382 1.321 238 3HG2 VAL 30 3HG2 VAL 30 -0.782 -7.238 2.739 239 H HIS 31 H HIS 31 0.131 -6.856 4.233 240 HA HIS 31 HA HIS 31 2.634 -5.691 5.030 241 1HB HIS 31 2HB HIS 31 1.244 -8.025 5.409 242 2HB HIS 31 1HB HIS 31 2.547 -8.564 4.350 243 HD1 HIS 31 1HD HIS 31 2.216 -6.395 7.484 244 HD2 HIS 31 2HD HIS 31 4.833 -9.151 5.771 245 HE1 HIS 31 1HE HIS 31 4.101 -6.720 9.143 246 HA PRO 32 HA PRO 32 4.829 -5.644 1.213 247 1HB PRO 32 2HB PRO 32 7.381 -5.927 2.150 248 2HB PRO 32 1HB PRO 32 6.446 -4.434 2.330 249 1HG PRO 32 2HG PRO 32 6.970 -6.579 4.318 250 2HG PRO 32 1HG PRO 32 6.907 -4.823 4.542 251 1HD PRO 32 2HD PRO 32 4.868 -6.508 5.215 252 2HD PRO 32 1HD PRO 32 4.632 -4.803 4.770 253 H LYS 33 H LYS 33 3.745 -7.904 0.933 254 HA LYS 33 HA LYS 33 5.691 -9.808 0.025 255 1HB LYS 33 2HB LYS 33 5.047 -11.514 1.889 256 2HB LYS 33 1HB LYS 33 6.210 -10.252 2.292 257 1HG LYS 33 2HG LYS 33 4.848 -9.499 3.914 258 2HG LYS 33 1HG LYS 33 3.576 -9.210 2.734 259 1HD LYS 33 2HD LYS 33 2.588 -10.746 4.220 260 2HD LYS 33 1HD LYS 33 3.145 -11.768 2.895 261 1HE LYS 33 2HE LYS 33 4.716 -12.803 4.197 262 2HE LYS 33 1HE LYS 33 5.146 -11.298 5.034 263 1HZ LYS 33 1HZ LYS 33 2.902 -11.426 6.106 264 2HZ LYS 33 2HZ LYS 33 3.994 -12.632 6.599 265 3HZ LYS 33 3HZ LYS 33 2.759 -13.000 5.491 266 H ALA 34 H ALA 34 2.432 -9.212 1.251 267 HA ALA 34 HA ALA 34 0.917 -11.350 0.425 268 1HB ALA 34 1HB ALA 34 0.624 -8.405 0.525 269 2HB ALA 34 2HB ALA 34 -0.386 -9.657 1.247 270 3HB ALA 34 3HB ALA 34 -0.578 -9.240 -0.458 271 H THR 35 H THR 35 1.835 -12.423 -1.434 272 HA THR 35 HA THR 35 2.697 -11.396 -3.859 273 HB THR 35 HB THR 35 1.273 -13.628 -4.601 274 HG1 THR 35 1HG THR 35 1.282 -14.964 -2.772 275 1HG2 THR 35 1HG2 THR 35 3.713 -13.271 -4.771 276 2HG2 THR 35 2HG2 THR 35 3.340 -14.856 -4.093 277 3HG2 THR 35 3HG2 THR 35 3.866 -13.547 -3.035 278 H LYS 36 H LYS 36 1.734 -10.447 -5.644 279 HA LYS 36 HA LYS 36 -0.656 -9.057 -5.607 280 1HB LYS 36 2HB LYS 36 1.333 -9.601 -7.411 281 2HB LYS 36 1HB LYS 36 -0.042 -10.407 -8.169 282 1HG LYS 36 2HG LYS 36 -0.697 -8.392 -8.933 283 2HG LYS 36 1HG LYS 36 -1.051 -7.949 -7.264 284 1HD LYS 36 2HD LYS 36 1.437 -7.350 -7.061 285 2HD LYS 36 1HD LYS 36 1.490 -7.453 -8.821 286 1HE LYS 36 2HE LYS 36 -0.644 -5.783 -7.501 287 2HE LYS 36 1HE LYS 36 0.988 -5.123 -7.726 288 1HZ LYS 36 1HZ LYS 36 -0.079 -4.638 -9.725 289 2HZ LYS 36 2HZ LYS 36 -0.889 -6.131 -9.776 290 3HZ LYS 36 3HZ LYS 36 0.782 -6.057 -10.079 291 H THR 37 H THR 37 -0.236 -12.408 -6.803 292 HA THR 37 HA THR 37 -2.949 -12.932 -7.445 293 HB THR 37 HB THR 37 -1.120 -14.950 -6.258 294 HG1 THR 37 1HG THR 37 -0.397 -14.867 -8.667 295 1HG2 THR 37 1HG2 THR 37 -2.206 -15.589 -8.826 296 2HG2 THR 37 2HG2 THR 37 -3.495 -14.981 -7.786 297 3HG2 THR 37 3HG2 THR 37 -2.526 -16.363 -7.274 298 H GLU 38 H GLU 38 -1.161 -13.623 -4.433 299 HA GLU 38 HA GLU 38 -3.282 -14.720 -2.922 300 1HB GLU 38 2HB GLU 38 -0.688 -13.362 -2.463 301 2HB GLU 38 1HB GLU 38 -1.794 -13.334 -1.089 302 1HG GLU 38 2HG GLU 38 -1.529 -15.933 -2.507 303 2HG GLU 38 1HG GLU 38 -0.126 -15.404 -1.577 304 H ILE 39 H ILE 39 -2.375 -11.317 -3.463 305 HA ILE 39 HA ILE 39 -4.199 -10.085 -1.662 306 HB ILE 39 HB ILE 39 -2.972 -9.343 -4.332 307 1HG1 ILE 39 2HG1 ILE 39 -2.512 -8.377 -1.492 308 2HG1 ILE 39 1HG1 ILE 39 -1.504 -9.547 -2.344 309 1HG2 ILE 39 1HG2 ILE 39 -3.889 -7.194 -4.268 310 2HG2 ILE 39 2HG2 ILE 39 -4.292 -7.308 -2.557 311 3HG2 ILE 39 3HG2 ILE 39 -5.258 -8.177 -3.750 312 1HD1 ILE 39 1HD1 ILE 39 -1.253 -6.736 -2.388 313 2HD1 ILE 39 2HD1 ILE 39 -1.877 -7.190 -3.975 314 3HD1 ILE 39 3HD1 ILE 39 -0.375 -7.899 -3.381 315 H LYS 40 H LYS 40 -4.622 -11.503 -4.859 316 HA LYS 40 HA LYS 40 -7.235 -10.504 -5.475 317 1HB LYS 40 2HB LYS 40 -5.554 -11.713 -6.952 318 2HB LYS 40 1HB LYS 40 -6.013 -13.204 -6.130 319 1HG LYS 40 2HG LYS 40 -8.401 -12.742 -6.783 320 2HG LYS 40 1HG LYS 40 -7.811 -11.408 -7.775 321 1HD LYS 40 2HD LYS 40 -6.270 -13.804 -8.291 322 2HD LYS 40 1HD LYS 40 -7.990 -14.116 -8.523 323 1HE LYS 40 2HE LYS 40 -7.505 -13.249 -10.618 324 2HE LYS 40 1HE LYS 40 -7.817 -11.722 -9.771 325 1HZ LYS 40 1HZ LYS 40 -5.578 -11.336 -9.444 326 2HZ LYS 40 2HZ LYS 40 -5.576 -12.029 -10.995 327 3HZ LYS 40 3HZ LYS 40 -5.149 -12.965 -9.643 328 H ASN 41 H ASN 41 -6.145 -13.474 -3.849 329 HA ASN 41 HA ASN 41 -8.799 -14.476 -3.292 330 1HB ASN 41 2HB ASN 41 -6.059 -15.051 -2.123 331 2HB ASN 41 1HB ASN 41 -7.490 -16.048 -1.854 332 1HD2 ASN 41 1HD2 ASN 41 -5.157 -15.005 -4.327 333 2HD2 ASN 41 2HD2 ASN 41 -5.564 -16.202 -5.460 334 H ALA 42 H ALA 42 -6.495 -12.455 -1.466 335 HA ALA 42 HA ALA 42 -7.699 -12.651 1.084 336 1HB ALA 42 1HB ALA 42 -6.277 -10.362 -0.297 337 2HB ALA 42 2HB ALA 42 -5.534 -11.604 0.722 338 3HB ALA 42 3HB ALA 42 -6.622 -10.403 1.435 339 H VAL 43 H VAL 43 -8.459 -10.353 -1.546 340 HA VAL 43 HA VAL 43 -10.650 -9.159 -0.027 341 HB VAL 43 HB VAL 43 -11.135 -8.169 -2.345 342 1HG1 VAL 43 1HG1 VAL 43 -9.769 -6.525 -1.665 343 2HG1 VAL 43 2HG1 VAL 43 -8.338 -7.503 -1.996 344 3HG1 VAL 43 3HG1 VAL 43 -9.155 -7.631 -0.436 345 1HG2 VAL 43 1HG2 VAL 43 -9.689 -8.607 -4.132 346 2HG2 VAL 43 2HG2 VAL 43 -9.919 -10.207 -3.429 347 3HG2 VAL 43 3HG2 VAL 43 -8.448 -9.298 -3.087 348 H GLU 44 H GLU 44 -10.317 -11.730 -2.439 349 HA GLU 44 HA GLU 44 -13.130 -12.060 -2.992 350 1HB GLU 44 2HB GLU 44 -10.553 -13.363 -3.512 351 2HB GLU 44 1HB GLU 44 -11.880 -14.515 -3.359 352 1HG GLU 44 2HG GLU 44 -12.482 -12.106 -4.970 353 2HG GLU 44 1HG GLU 44 -11.289 -13.200 -5.669 354 H THR 45 H THR 45 -10.894 -13.616 -0.691 355 HA THR 45 HA THR 45 -12.955 -15.330 0.456 356 HB THR 45 HB THR 45 -10.094 -14.834 0.617 357 HG1 THR 45 1HG THR 45 -10.134 -17.084 0.885 358 1HG2 THR 45 1HG2 THR 45 -10.286 -14.307 2.898 359 2HG2 THR 45 2HG2 THR 45 -10.037 -16.053 2.926 360 3HG2 THR 45 3HG2 THR 45 -11.660 -15.390 3.116 361 H ALA 46 H ALA 46 -11.585 -12.170 1.135 362 HA ALA 46 HA ALA 46 -12.948 -12.040 3.761 363 1HB ALA 46 1HB ALA 46 -10.545 -11.248 3.047 364 2HB ALA 46 2HB ALA 46 -11.488 -10.258 4.161 365 3HB ALA 46 3HB ALA 46 -11.398 -9.823 2.454 366 H PHE 47 H PHE 47 -12.755 -9.943 0.850 367 HA PHE 47 HA PHE 47 -15.138 -8.460 1.602 368 1HB PHE 47 2HB PHE 47 -13.620 -8.591 -1.019 369 2HB PHE 47 1HB PHE 47 -14.664 -7.279 -0.478 370 HD1 PHE 47 1HD PHE 47 -13.527 -7.981 2.533 371 HD2 PHE 47 2HD PHE 47 -11.842 -6.725 -1.217 372 HE1 PHE 47 1HE PHE 47 -11.614 -6.969 3.735 373 HE2 PHE 47 2HE PHE 47 -9.930 -5.708 -0.005 374 HZ PHE 47 HZ PHE 47 -9.815 -5.837 2.466 375 H LYS 48 H LYS 48 -14.570 -11.400 -0.090 376 HA LYS 48 HA LYS 48 -16.029 -12.876 -1.204 377 1HB LYS 48 2HB LYS 48 -17.753 -11.151 0.554 378 2HB LYS 48 1HB LYS 48 -18.513 -12.333 -0.512 379 1HG LYS 48 2HG LYS 48 -17.809 -14.091 0.740 380 2HG LYS 48 1HG LYS 48 -16.210 -13.389 0.984 381 1HD LYS 48 2HD LYS 48 -17.334 -13.500 3.134 382 2HD LYS 48 1HD LYS 48 -17.222 -11.808 2.650 383 1HE LYS 48 2HE LYS 48 -19.628 -12.664 1.512 384 2HE LYS 48 1HE LYS 48 -19.607 -13.420 3.118 385 1HZ LYS 48 1HZ LYS 48 -18.887 -11.241 4.017 386 2HZ LYS 48 2HZ LYS 48 -20.451 -11.209 3.356 387 3HZ LYS 48 3HZ LYS 48 -19.145 -10.554 2.489 388 H VAL 49 H VAL 49 -15.100 -10.826 -2.811 389 HA VAL 49 HA VAL 49 -17.505 -10.128 -4.439 390 HB VAL 49 HB VAL 49 -15.870 -8.437 -3.073 391 1HG1 VAL 49 1HG1 VAL 49 -14.098 -7.612 -4.270 392 2HG1 VAL 49 2HG1 VAL 49 -14.823 -8.014 -5.827 393 3HG1 VAL 49 3HG1 VAL 49 -14.062 -9.274 -4.855 394 1HG2 VAL 49 1HG2 VAL 49 -17.060 -6.794 -4.125 395 2HG2 VAL 49 2HG2 VAL 49 -18.008 -8.199 -4.608 396 3HG2 VAL 49 3HG2 VAL 49 -16.833 -7.505 -5.723 397 H LYS 50 H LYS 50 -16.023 -9.181 -6.656 398 HA LYS 50 HA LYS 50 -14.669 -11.698 -7.576 399 1HB LYS 50 2HB LYS 50 -16.963 -10.938 -8.527 400 2HB LYS 50 1HB LYS 50 -16.043 -9.670 -9.344 401 1HG LYS 50 2HG LYS 50 -15.127 -12.526 -9.527 402 2HG LYS 50 1HG LYS 50 -16.433 -11.958 -10.570 403 1HD LYS 50 2HD LYS 50 -14.722 -9.938 -10.957 404 2HD LYS 50 1HD LYS 50 -13.550 -11.190 -10.547 405 1HE LYS 50 2HE LYS 50 -14.882 -12.653 -12.272 406 2HE LYS 50 1HE LYS 50 -15.454 -11.085 -12.877 407 1HZ LYS 50 1HZ LYS 50 -13.389 -10.460 -13.509 408 2HZ LYS 50 2HZ LYS 50 -13.133 -12.137 -13.614 409 3HZ LYS 50 3HZ LYS 50 -12.620 -11.280 -12.238 410 H VAL 51 H VAL 51 -12.500 -11.193 -7.419 411 HA VAL 51 HA VAL 51 -11.480 -8.505 -7.921 412 HB VAL 51 HB VAL 51 -10.102 -11.190 -7.623 413 1HG1 VAL 51 1HG1 VAL 51 -8.457 -9.710 -8.404 414 2HG1 VAL 51 2HG1 VAL 51 -8.313 -9.540 -6.654 415 3HG1 VAL 51 3HG1 VAL 51 -9.182 -8.324 -7.590 416 1HG2 VAL 51 1HG2 VAL 51 -11.613 -10.640 -5.732 417 2HG2 VAL 51 2HG2 VAL 51 -10.801 -9.086 -5.549 418 3HG2 VAL 51 3HG2 VAL 51 -9.920 -10.584 -5.247 419 H VAL 52 H VAL 52 -11.171 -7.728 -9.960 420 HA VAL 52 HA VAL 52 -10.674 -9.678 -12.172 421 HB VAL 52 HB VAL 52 -12.658 -8.240 -12.356 422 1HG1 VAL 52 1HG1 VAL 52 -12.193 -5.737 -12.678 423 2HG1 VAL 52 2HG1 VAL 52 -10.637 -6.050 -11.902 424 3HG1 VAL 52 3HG1 VAL 52 -12.135 -6.360 -11.034 425 1HG2 VAL 52 1HG2 VAL 52 -10.935 -6.840 -14.276 426 2HG2 VAL 52 2HG2 VAL 52 -12.329 -7.891 -14.565 427 3HG2 VAL 52 3HG2 VAL 52 -10.734 -8.593 -14.276 428 H LYS 53 H LYS 53 -9.084 -7.516 -10.143 429 HA LYS 53 HA LYS 53 -6.576 -7.749 -11.470 430 1HB LYS 53 2HB LYS 53 -6.504 -5.938 -12.876 431 2HB LYS 53 1HB LYS 53 -8.253 -6.109 -12.847 432 1HG LYS 53 2HG LYS 53 -8.294 -3.959 -12.181 433 2HG LYS 53 1HG LYS 53 -7.753 -4.543 -10.616 434 1HD LYS 53 2HD LYS 53 -5.954 -3.660 -12.887 435 2HD LYS 53 1HD LYS 53 -6.276 -2.749 -11.410 436 1HE LYS 53 2HE LYS 53 -5.171 -4.394 -10.048 437 2HE LYS 53 1HE LYS 53 -5.082 -5.540 -11.401 438 1HZ LYS 53 1HZ LYS 53 -3.069 -3.981 -10.869 439 2HZ LYS 53 2HZ LYS 53 -3.974 -2.845 -11.751 440 3HZ LYS 53 3HZ LYS 53 -3.501 -4.307 -12.475 441 H VAL 54 H VAL 54 -4.931 -7.012 -10.096 442 HA VAL 54 HA VAL 54 -5.764 -5.351 -7.756 443 HB VAL 54 HB VAL 54 -4.881 -8.136 -7.872 444 1HG1 VAL 54 1HG1 VAL 54 -3.307 -8.083 -6.015 445 2HG1 VAL 54 2HG1 VAL 54 -3.456 -6.329 -5.892 446 3HG1 VAL 54 3HG1 VAL 54 -2.684 -7.053 -7.304 447 1HG2 VAL 54 1HG2 VAL 54 -6.118 -8.274 -5.918 448 2HG2 VAL 54 2HG2 VAL 54 -6.828 -6.823 -6.627 449 3HG2 VAL 54 3HG2 VAL 54 -5.606 -6.679 -5.361 450 H ASN 55 H ASN 55 -4.360 -3.661 -7.422 451 HA ASN 55 HA ASN 55 -1.590 -3.918 -8.526 452 1HB ASN 55 2HB ASN 55 -3.662 -2.372 -9.550 453 2HB ASN 55 1HB ASN 55 -2.751 -1.224 -8.568 454 1HD2 ASN 55 1HD2 ASN 55 -0.672 -0.572 -9.322 455 2HD2 ASN 55 2HD2 ASN 55 0.007 -1.129 -10.775 456 H THR 56 H THR 56 -0.250 -3.809 -6.784 457 HA THR 56 HA THR 56 -1.015 -1.964 -4.553 458 HB THR 56 HB THR 56 -0.767 -3.824 -3.277 459 HG1 THR 56 1HG THR 56 1.887 -4.102 -4.148 460 1HG2 THR 56 1HG2 THR 56 0.488 -5.133 -5.704 461 2HG2 THR 56 2HG2 THR 56 -1.189 -5.277 -5.171 462 3HG2 THR 56 3HG2 THR 56 0.107 -5.973 -4.201 463 H LEU 57 H LEU 57 0.919 -0.989 -3.420 464 HA LEU 57 HA LEU 57 3.363 -0.769 -5.102 465 1HB LEU 57 2HB LEU 57 3.043 1.790 -4.884 466 2HB LEU 57 1HB LEU 57 2.010 0.947 -6.037 467 HG LEU 57 HG LEU 57 1.005 1.154 -3.243 468 1HD1 LEU 57 1HD1 LEU 57 1.934 3.414 -3.675 469 2HD1 LEU 57 2HD1 LEU 57 0.172 3.436 -3.614 470 3HD1 LEU 57 3HD1 LEU 57 1.000 3.499 -5.169 471 1HD2 LEU 57 1HD2 LEU 57 -0.849 1.967 -5.241 472 2HD2 LEU 57 2HD2 LEU 57 -0.821 0.443 -4.354 473 3HD2 LEU 57 3HD2 LEU 57 0.035 0.586 -5.889 474 H HIS 58 H HIS 58 4.994 0.716 -3.911 475 HA HIS 58 HA HIS 58 5.156 -0.149 -1.113 476 1HB HIS 58 2HB HIS 58 7.050 -0.039 -2.779 477 2HB HIS 58 1HB HIS 58 6.927 1.720 -2.717 478 HD1 HIS 58 1HD HIS 58 9.483 0.228 -1.722 479 HD2 HIS 58 2HD HIS 58 6.341 1.422 0.751 480 HE1 HIS 58 1HE HIS 58 10.441 0.409 0.615 481 H VAL 59 H VAL 59 4.167 1.010 0.483 482 HA VAL 59 HA VAL 59 3.912 3.980 0.128 483 HB VAL 59 HB VAL 59 2.029 3.055 2.025 484 1HG1 VAL 59 1HG1 VAL 59 0.422 3.610 0.097 485 2HG1 VAL 59 2HG1 VAL 59 1.869 3.956 -0.852 486 3HG1 VAL 59 3HG1 VAL 59 1.527 4.888 0.606 487 1HG2 VAL 59 1HG2 VAL 59 0.734 1.431 0.551 488 2HG2 VAL 59 2HG2 VAL 59 2.189 0.776 1.300 489 3HG2 VAL 59 3HG2 VAL 59 2.208 1.247 -0.399 490 H ARG 60 H ARG 60 5.093 5.117 1.624 491 HA ARG 60 HA ARG 60 5.433 3.945 4.351 492 1HB ARG 60 2HB ARG 60 7.639 5.063 2.594 493 2HB ARG 60 1HB ARG 60 7.835 4.441 4.233 494 1HG ARG 60 2HG ARG 60 6.789 2.822 1.895 495 2HG ARG 60 1HG ARG 60 8.450 2.765 2.484 496 1HD ARG 60 2HD ARG 60 7.778 1.835 4.586 497 2HD ARG 60 1HD ARG 60 6.068 2.197 4.274 498 HE ARG 60 HE ARG 60 6.164 0.533 2.414 499 1HH1 ARG 60 1HH2 ARG 60 9.234 0.805 3.770 500 2HH1 ARG 60 2HH2 ARG 60 9.514 -0.900 3.901 501 1HH2 ARG 60 1HH1 ARG 60 6.283 -1.771 2.996 502 2HH2 ARG 60 2HH1 ARG 60 7.844 -2.358 3.463 503 H GLY 61 H GLY 61 4.247 5.542 5.404 504 1HA GLY 61 2HA GLY 61 3.783 7.648 6.306 505 2HA GLY 61 1HA GLY 61 5.467 8.040 5.966 506 H LYS 62 H LYS 62 3.062 9.743 5.638 507 HA LYS 62 HA LYS 62 2.786 10.022 2.701 508 1HB LYS 62 2HB LYS 62 0.883 10.191 4.342 509 2HB LYS 62 1HB LYS 62 1.636 11.648 4.992 510 1HG LYS 62 2HG LYS 62 1.034 12.918 3.196 511 2HG LYS 62 1HG LYS 62 1.310 11.605 2.051 512 1HD LYS 62 2HD LYS 62 -1.057 11.742 3.941 513 2HD LYS 62 1HD LYS 62 -1.106 12.253 2.254 514 1HE LYS 62 2HE LYS 62 0.049 9.573 2.588 515 2HE LYS 62 1HE LYS 62 -1.638 9.683 3.130 516 1HZ LYS 62 1HZ LYS 62 -2.048 10.975 1.026 517 2HZ LYS 62 2HZ LYS 62 -1.732 9.319 0.815 518 3HZ LYS 62 3HZ LYS 62 -0.519 10.466 0.499 519 H LYS 63 H LYS 63 4.676 11.283 5.286 520 HA LYS 63 HA LYS 63 6.302 12.921 3.575 521 1HB LYS 63 2HB LYS 63 5.508 15.122 4.276 522 2HB LYS 63 1HB LYS 63 4.151 14.215 3.609 523 1HG LYS 63 2HG LYS 63 3.639 13.489 6.007 524 2HG LYS 63 1HG LYS 63 4.789 14.724 6.521 525 1HD LYS 63 2HD LYS 63 3.436 16.470 5.836 526 2HD LYS 63 1HD LYS 63 2.668 15.514 4.567 527 1HE LYS 63 2HE LYS 63 2.221 14.880 7.492 528 2HE LYS 63 1HE LYS 63 1.209 16.052 6.624 529 1HZ LYS 63 1HZ LYS 63 1.578 13.174 6.090 530 2HZ LYS 63 2HZ LYS 63 1.122 14.222 4.833 531 3HZ LYS 63 3HZ LYS 63 0.135 14.058 6.207 532 H LYS 64 H LYS 64 7.694 14.467 5.065 533 HA LYS 64 HA LYS 64 9.081 14.712 6.970 534 1HB LYS 64 2HB LYS 64 6.464 14.030 7.831 535 2HB LYS 64 1HB LYS 64 7.576 13.059 8.796 536 1HG LYS 64 2HG LYS 64 7.849 14.906 10.072 537 2HG LYS 64 1HG LYS 64 8.804 15.546 8.733 538 1HD LYS 64 2HD LYS 64 6.884 16.657 7.794 539 2HD LYS 64 1HD LYS 64 5.797 15.850 8.925 540 1HE LYS 64 2HE LYS 64 8.007 17.772 9.744 541 2HE LYS 64 1HE LYS 64 6.285 18.191 9.636 542 1HZ LYS 64 1HZ LYS 64 7.599 16.251 11.436 543 2HZ LYS 64 2HZ LYS 64 5.945 16.117 11.070 544 3HZ LYS 64 3HZ LYS 64 6.538 17.512 11.835 545 H ARG 65 H ARG 65 9.687 12.638 5.129 546 HA ARG 65 HA ARG 65 10.986 10.676 6.962 547 1HB ARG 65 2HB ARG 65 10.156 8.827 5.594 548 2HB ARG 65 1HB ARG 65 8.786 9.793 6.143 549 1HG ARG 65 2HG ARG 65 8.972 11.069 3.940 550 2HG ARG 65 1HG ARG 65 10.081 9.803 3.410 551 1HD ARG 65 2HD ARG 65 8.240 8.127 4.061 552 2HD ARG 65 1HD ARG 65 7.155 9.530 4.131 553 HE ARG 65 HE ARG 65 7.657 9.961 1.762 554 1HH1 ARG 65 1HH1 ARG 65 9.715 7.521 2.891 555 2HH1 ARG 65 2HH1 ARG 65 9.595 6.538 1.469 556 1HH2 ARG 65 1HH2 ARG 65 7.129 8.488 0.007 557 2HH2 ARG 65 2HH2 ARG 65 8.131 7.085 -0.163 558 H LEU 66 H LEU 66 10.654 11.915 3.629 559 HA LEU 66 HA LEU 66 12.257 12.057 1.888 560 1HB LEU 66 2HB LEU 66 13.283 13.027 4.442 561 2HB LEU 66 1HB LEU 66 14.586 12.513 3.372 562 HG LEU 66 HG LEU 66 13.724 13.941 1.582 563 1HD1 LEU 66 1HD1 LEU 66 11.795 15.406 3.218 564 2HD1 LEU 66 2HD1 LEU 66 11.317 13.727 2.966 565 3HD1 LEU 66 3HD1 LEU 66 11.622 14.775 1.580 566 1HD2 LEU 66 1HD2 LEU 66 13.592 16.030 3.553 567 2HD2 LEU 66 2HD2 LEU 66 14.932 15.612 2.487 568 3HD2 LEU 66 3HD2 LEU 66 14.787 14.837 4.064 569 H GLY 67 H GLY 67 12.376 9.892 1.105 570 1HA GLY 67 2HA GLY 67 13.761 7.792 2.446 571 2HA GLY 67 1HA GLY 67 13.305 7.781 0.748 572 H ARG 68 H ARG 68 15.612 9.698 2.734 573 HA ARG 68 HA ARG 68 17.721 8.978 0.761 574 1HB ARG 68 2HB ARG 68 17.729 11.635 2.112 575 2HB ARG 68 1HB ARG 68 18.267 11.227 0.484 576 1HG ARG 68 2HG ARG 68 15.365 11.262 1.342 577 2HG ARG 68 1HG ARG 68 16.169 12.631 0.572 578 1HD ARG 68 2HD ARG 68 16.369 9.950 -0.760 579 2HD ARG 68 1HD ARG 68 14.855 10.864 -0.914 580 HE ARG 68 HE ARG 68 16.489 12.828 -1.549 581 1HH1 ARG 68 1HH1 ARG 68 15.912 9.926 -3.073 582 2HH1 ARG 68 2HH1 ARG 68 17.286 9.987 -4.126 583 1HH2 ARG 68 1HH2 ARG 68 18.705 12.729 -2.547 584 2HH2 ARG 68 2HH2 ARG 68 18.868 11.575 -3.827 585 H TYR 69 H TYR 69 16.775 8.369 3.613 586 HA TYR 69 HA TYR 69 19.446 7.987 4.767 587 1HB TYR 69 2HB TYR 69 19.169 10.254 5.402 588 2HB TYR 69 1HB TYR 69 17.448 10.034 5.724 589 HD1 TYR 69 1HD TYR 69 20.856 9.101 6.922 590 HD2 TYR 69 2HD TYR 69 16.677 9.395 7.874 591 HE1 TYR 69 1HE TYR 69 21.362 8.611 9.300 592 HE2 TYR 69 2HE TYR 69 17.184 8.904 10.252 593 HH TYR 69 HH TYR 69 19.571 7.500 11.369 594 H LEU 70 H LEU 70 19.133 6.987 7.077 595 HA LEU 70 HA LEU 70 17.065 4.904 6.878 596 1HB LEU 70 2HB LEU 70 19.515 5.524 8.432 597 2HB LEU 70 1HB LEU 70 18.328 4.491 9.225 598 HG LEU 70 HG LEU 70 18.760 3.737 6.435 599 1HD1 LEU 70 1HD1 LEU 70 21.054 4.661 7.325 600 2HD1 LEU 70 2HD1 LEU 70 21.011 3.109 6.488 601 3HD1 LEU 70 3HD1 LEU 70 21.087 3.160 8.249 602 1HD2 LEU 70 1HD2 LEU 70 18.543 1.601 7.313 603 2HD2 LEU 70 2HD2 LEU 70 17.733 2.530 8.575 604 3HD2 LEU 70 3HD2 LEU 70 19.404 2.011 8.797 605 H GLY 71 H GLY 71 15.907 7.412 7.203 606 1HA GLY 71 2HA GLY 71 15.358 8.143 9.915 607 2HA GLY 71 1HA GLY 71 14.356 8.579 8.529 608 H LYS 72 H LYS 72 12.350 7.691 8.499 609 HA LYS 72 HA LYS 72 11.872 5.269 10.203 610 1HB LYS 72 2HB LYS 72 9.482 6.203 10.115 611 2HB LYS 72 1HB LYS 72 10.664 7.176 10.993 612 1HG LYS 72 2HG LYS 72 10.758 8.804 9.344 613 2HG LYS 72 1HG LYS 72 10.285 7.684 8.066 614 1HD LYS 72 2HD LYS 72 8.420 8.573 10.282 615 2HD LYS 72 1HD LYS 72 8.495 9.352 8.701 616 1HE LYS 72 2HE LYS 72 7.545 7.535 7.608 617 2HE LYS 72 1HE LYS 72 8.152 6.371 8.803 618 1HZ LYS 72 1HZ LYS 72 5.999 8.380 9.207 619 2HZ LYS 72 2HZ LYS 72 6.670 7.436 10.451 620 3HZ LYS 72 3HZ LYS 72 5.820 6.694 9.181 621 H ARG 73 H ARG 73 11.803 3.471 8.892 622 HA ARG 73 HA ARG 73 10.161 3.649 6.390 623 1HB ARG 73 2HB ARG 73 12.761 3.682 6.204 624 2HB ARG 73 1HB ARG 73 12.658 1.976 6.641 625 1HG ARG 73 2HG ARG 73 10.826 1.914 4.742 626 2HG ARG 73 1HG ARG 73 11.659 3.362 4.177 627 1HD ARG 73 2HD ARG 73 13.034 0.713 4.753 628 2HD ARG 73 1HD ARG 73 12.597 1.296 3.135 629 HE ARG 73 HE ARG 73 13.991 3.409 4.335 630 1HH1 ARG 73 1HH1 ARG 73 14.736 1.574 1.909 631 2HH1 ARG 73 2HH1 ARG 73 16.348 1.131 2.366 632 1HH2 ARG 73 1HH2 ARG 73 16.000 2.211 5.643 633 2HH2 ARG 73 2HH2 ARG 73 17.063 1.491 4.480 634 HA PRO 74 HA PRO 74 8.807 0.139 9.063 635 1HB PRO 74 2HB PRO 74 6.139 0.660 8.836 636 2HB PRO 74 1HB PRO 74 7.168 1.423 10.062 637 1HG PRO 74 2HG PRO 74 6.143 2.524 7.502 638 2HG PRO 74 1HG PRO 74 6.400 3.329 9.057 639 1HD PRO 74 2HD PRO 74 8.096 3.534 6.902 640 2HD PRO 74 1HD PRO 74 8.580 3.802 8.590 641 H ASP 75 H ASP 75 6.489 -1.148 8.263 642 HA ASP 75 HA ASP 75 7.087 -1.903 5.441 643 1HB ASP 75 2HB ASP 75 6.274 -4.117 6.152 644 2HB ASP 75 1HB ASP 75 7.547 -3.567 7.239 645 H ARG 76 H ARG 76 5.615 -0.332 4.617 646 HA ARG 76 HA ARG 76 2.723 -0.915 5.136 647 1HB ARG 76 2HB ARG 76 3.137 1.174 6.113 648 2HB ARG 76 1HB ARG 76 4.341 1.608 4.902 649 1HG ARG 76 2HG ARG 76 2.431 1.672 3.212 650 2HG ARG 76 1HG ARG 76 1.333 1.563 4.589 651 1HD ARG 76 2HD ARG 76 3.446 3.594 4.919 652 2HD ARG 76 1HD ARG 76 2.316 3.933 3.596 653 HE ARG 76 HE ARG 76 0.673 3.095 5.666 654 1HH1 ARG 76 1HH1 ARG 76 1.205 5.969 4.479 655 2HH1 ARG 76 2HH1 ARG 76 1.358 6.856 5.959 656 1HH2 ARG 76 1HH2 ARG 76 1.696 4.024 7.931 657 2HH2 ARG 76 2HH2 ARG 76 1.637 5.755 7.913 658 H LYS 77 H LYS 77 1.964 -1.921 3.302 659 HA LYS 77 HA LYS 77 2.859 -0.846 0.646 660 1HB LYS 77 2HB LYS 77 3.790 -3.003 0.833 661 2HB LYS 77 1HB LYS 77 2.392 -3.632 1.700 662 1HG LYS 77 2HG LYS 77 1.034 -3.323 -0.391 663 2HG LYS 77 1HG LYS 77 2.520 -2.883 -1.233 664 1HD LYS 77 2HD LYS 77 3.450 -5.039 -0.967 665 2HD LYS 77 1HD LYS 77 2.315 -5.465 0.313 666 1HE LYS 77 2HE LYS 77 0.552 -4.979 -1.683 667 2HE LYS 77 1HE LYS 77 1.941 -5.535 -2.637 668 1HZ LYS 77 1HZ LYS 77 1.162 -7.557 -2.037 669 2HZ LYS 77 2HZ LYS 77 0.358 -6.973 -0.660 670 3HZ LYS 77 3HZ LYS 77 2.035 -7.247 -0.617 671 H LYS 78 H LYS 78 1.196 -0.352 -0.797 672 HA LYS 78 HA LYS 78 -1.581 -0.576 0.260 673 1HB LYS 78 2HB LYS 78 0.011 1.312 -1.296 674 2HB LYS 78 1HB LYS 78 -1.548 0.987 -2.053 675 1HG LYS 78 2HG LYS 78 -2.599 1.388 0.235 676 2HG LYS 78 1HG LYS 78 -1.030 2.005 0.748 677 1HD LYS 78 2HD LYS 78 -1.087 3.687 -1.047 678 2HD LYS 78 1HD LYS 78 -2.645 3.062 -1.591 679 1HE LYS 78 2HE LYS 78 -3.571 3.577 0.705 680 2HE LYS 78 1HE LYS 78 -2.040 4.400 1.067 681 1HZ LYS 78 1HZ LYS 78 -2.358 5.914 -0.665 682 2HZ LYS 78 2HZ LYS 78 -3.892 5.804 0.055 683 3HZ LYS 78 3HZ LYS 78 -3.571 4.981 -1.396 684 H ALA 79 H ALA 79 -3.244 -1.546 -1.026 685 HA ALA 79 HA ALA 79 -2.344 -2.934 -3.522 686 1HB ALA 79 1HB ALA 79 -2.737 -4.157 -1.132 687 2HB ALA 79 2HB ALA 79 -2.984 -4.950 -2.693 688 3HB ALA 79 3HB ALA 79 -4.359 -4.248 -1.827 689 H ILE 80 H ILE 80 -3.572 -2.238 -5.175 690 HA ILE 80 HA ILE 80 -6.323 -1.248 -4.626 691 HB ILE 80 HB ILE 80 -4.329 -1.015 -6.884 692 1HG1 ILE 80 2HG1 ILE 80 -4.544 1.374 -6.384 693 2HG1 ILE 80 1HG1 ILE 80 -5.759 1.032 -5.159 694 1HG2 ILE 80 1HG2 ILE 80 -7.278 -0.389 -6.842 695 2HG2 ILE 80 2HG2 ILE 80 -6.349 -1.229 -8.084 696 3HG2 ILE 80 3HG2 ILE 80 -6.173 0.514 -7.878 697 1HD1 ILE 80 1HD1 ILE 80 -2.978 -0.151 -5.064 698 2HD1 ILE 80 2HD1 ILE 80 -4.171 -0.074 -3.769 699 3HD1 ILE 80 3HD1 ILE 80 -3.372 1.397 -4.315 700 H VAL 81 H VAL 81 -7.821 -2.854 -4.765 701 HA VAL 81 HA VAL 81 -7.419 -5.050 -6.754 702 HB VAL 81 HB VAL 81 -9.525 -4.914 -4.596 703 1HG1 VAL 81 1HG1 VAL 81 -9.849 -7.061 -5.180 704 2HG1 VAL 81 2HG1 VAL 81 -8.136 -7.423 -4.964 705 3HG1 VAL 81 3HG1 VAL 81 -8.721 -6.816 -6.514 706 1HG2 VAL 81 1HG2 VAL 81 -7.391 -6.344 -3.514 707 2HG2 VAL 81 2HG2 VAL 81 -7.896 -4.724 -3.031 708 3HG2 VAL 81 3HG2 VAL 81 -6.621 -4.930 -4.234 709 H GLN 82 H GLN 82 -8.681 -5.022 -8.604 710 HA GLN 82 HA GLN 82 -10.985 -3.121 -8.683 711 1HB GLN 82 2HB GLN 82 -9.015 -3.186 -10.358 712 2HB GLN 82 1HB GLN 82 -9.731 -4.675 -10.949 713 1HG GLN 82 2HG GLN 82 -10.939 -3.316 -12.303 714 2HG GLN 82 1HG GLN 82 -11.917 -3.041 -10.862 715 1HE2 GLN 82 1HE2 GLN 82 -12.355 -0.834 -11.795 716 2HE2 GLN 82 2HE2 GLN 82 -11.195 0.389 -11.599 717 H VAL 83 H VAL 83 -13.058 -3.924 -9.287 718 HA VAL 83 HA VAL 83 -13.197 -6.898 -9.382 719 HB VAL 83 HB VAL 83 -15.191 -6.833 -8.158 720 1HG1 VAL 83 1HG1 VAL 83 -14.192 -4.372 -6.860 721 2HG1 VAL 83 2HG1 VAL 83 -12.983 -5.634 -7.093 722 3HG1 VAL 83 3HG1 VAL 83 -14.454 -5.980 -6.183 723 1HG2 VAL 83 1HG2 VAL 83 -15.382 -3.869 -8.779 724 2HG2 VAL 83 2HG2 VAL 83 -16.565 -4.821 -7.874 725 3HG2 VAL 83 3HG2 VAL 83 -16.295 -5.147 -9.592 726 H ALA 84 H ALA 84 -14.839 -7.750 -10.812 727 HA ALA 84 HA ALA 84 -14.933 -6.401 -13.361 728 1HB ALA 84 1HB ALA 84 -15.093 -8.639 -13.663 729 2HB ALA 84 2HB ALA 84 -16.823 -8.382 -13.409 730 3HB ALA 84 3HB ALA 84 -15.802 -8.887 -12.062 731 HA PRO 85 HA PRO 85 -18.729 -4.230 -13.131 732 1HB PRO 85 2HB PRO 85 -20.035 -4.944 -15.426 733 2HB PRO 85 1HB PRO 85 -18.608 -3.904 -15.415 734 1HG PRO 85 2HG PRO 85 -18.843 -6.744 -16.105 735 2HG PRO 85 1HG PRO 85 -17.783 -5.508 -16.772 736 1HD PRO 85 2HD PRO 85 -16.995 -7.432 -14.957 737 2HD PRO 85 1HD PRO 85 -16.159 -5.897 -15.222 738 H GLY 86 H GLY 86 -20.687 -4.510 -12.115 739 1HA GLY 86 2HA GLY 86 -22.844 -5.724 -11.945 740 2HA GLY 86 1HA GLY 86 -21.950 -7.218 -12.236 741 H GLN 87 H GLN 87 -19.755 -6.093 -10.402 742 HA GLN 87 HA GLN 87 -21.130 -6.792 -7.827 743 1HB GLN 87 2HB GLN 87 -18.693 -7.475 -7.244 744 2HB GLN 87 1HB GLN 87 -19.584 -8.502 -8.364 745 1HG GLN 87 2HG GLN 87 -18.085 -6.244 -9.575 746 2HG GLN 87 1HG GLN 87 -17.111 -7.550 -8.897 747 1HE2 GLN 87 1HE2 GLN 87 -18.103 -9.864 -9.546 748 2HE2 GLN 87 2HE2 GLN 87 -18.528 -10.019 -11.181 749 H LYS 88 H LYS 88 -19.595 -5.946 -5.920 750 HA LYS 88 HA LYS 88 -18.093 -3.532 -6.263 751 1HB LYS 88 2HB LYS 88 -19.936 -1.990 -5.395 752 2HB LYS 88 1HB LYS 88 -20.155 -2.576 -7.044 753 1HG LYS 88 2HG LYS 88 -21.578 -4.438 -6.111 754 2HG LYS 88 1HG LYS 88 -21.483 -3.645 -4.539 755 1HD LYS 88 2HD LYS 88 -23.125 -2.225 -5.122 756 2HD LYS 88 1HD LYS 88 -22.199 -1.696 -6.528 757 1HE LYS 88 2HE LYS 88 -24.056 -2.599 -7.602 758 2HE LYS 88 1HE LYS 88 -23.054 -4.059 -7.487 759 1HZ LYS 88 1HZ LYS 88 -25.375 -3.275 -5.891 760 2HZ LYS 88 2HZ LYS 88 -24.124 -4.102 -5.093 761 3HZ LYS 88 3HZ LYS 88 -24.904 -4.813 -6.425 762 H ILE 89 H ILE 89 -16.803 -4.266 -4.539 763 HA ILE 89 HA ILE 89 -17.641 -5.499 -2.148 764 HB ILE 89 HB ILE 89 -15.345 -3.630 -2.800 765 1HG1 ILE 89 2HG1 ILE 89 -15.583 -6.649 -2.600 766 2HG1 ILE 89 1HG1 ILE 89 -15.423 -5.722 -4.091 767 1HG2 ILE 89 1HG2 ILE 89 -14.249 -4.649 -0.791 768 2HG2 ILE 89 2HG2 ILE 89 -15.791 -5.400 -0.378 769 3HG2 ILE 89 3HG2 ILE 89 -15.639 -3.643 -0.382 770 1HD1 ILE 89 1HD1 ILE 89 -13.187 -5.839 -3.872 771 2HD1 ILE 89 2HD1 ILE 89 -13.352 -6.637 -2.308 772 3HD1 ILE 89 3HD1 ILE 89 -13.317 -4.875 -2.401 773 H GLU 90 H GLU 90 -19.406 -4.588 -1.093 774 HA GLU 90 HA GLU 90 -19.957 -1.820 -0.749 775 1HB GLU 90 2HB GLU 90 -21.490 -2.678 1.007 776 2HB GLU 90 1HB GLU 90 -21.563 -3.659 -0.457 777 1HG GLU 90 2HG GLU 90 -20.201 -5.372 0.510 778 2HG GLU 90 1HG GLU 90 -19.762 -4.344 1.874 779 H ALA 91 H ALA 91 -17.543 -3.764 0.743 780 HA ALA 91 HA ALA 91 -17.351 -2.727 3.354 781 1HB ALA 91 1HB ALA 91 -15.090 -3.346 1.428 782 2HB ALA 91 2HB ALA 91 -16.028 -4.574 2.278 783 3HB ALA 91 3HB ALA 91 -15.029 -3.442 3.189 784 H LEU 92 H LEU 92 -16.242 -1.288 0.289 785 HA LEU 92 HA LEU 92 -15.317 1.122 1.810 786 1HB LEU 92 2HB LEU 92 -14.854 0.872 -1.117 787 2HB LEU 92 1HB LEU 92 -13.747 1.393 0.149 788 HG LEU 92 HG LEU 92 -14.541 -1.453 -0.508 789 1HD1 LEU 92 1HD1 LEU 92 -12.694 0.059 -1.762 790 2HD1 LEU 92 2HD1 LEU 92 -12.472 -1.669 -1.492 791 3HD1 LEU 92 3HD1 LEU 92 -11.720 -0.503 -0.404 792 1HD2 LEU 92 1HD2 LEU 92 -12.382 -0.927 1.443 793 2HD2 LEU 92 2HD2 LEU 92 -13.655 -2.148 1.478 794 3HD2 LEU 92 3HD2 LEU 92 -13.998 -0.499 2.003 795 H GLU 93 H GLU 93 -17.689 -0.050 -0.450 796 HA GLU 93 HA GLU 93 -18.502 2.264 -1.795 797 1HB GLU 93 2HB GLU 93 -20.156 0.027 -0.582 798 2HB GLU 93 1HB GLU 93 -20.713 1.115 -1.854 799 1HG GLU 93 2HG GLU 93 -18.149 -0.405 -2.228 800 2HG GLU 93 1HG GLU 93 -19.690 -1.216 -2.508 801 H GLY 94 H GLY 94 -19.517 1.158 1.455 802 1HA GLY 94 2HA GLY 94 -21.104 3.589 1.880 803 2HA GLY 94 1HA GLY 94 -20.863 2.291 3.049 804 H LEU 95 H LEU 95 -17.869 2.482 2.544 805 HA LEU 95 HA LEU 95 -16.991 3.889 4.744 806 1HB LEU 95 2HB LEU 95 -15.924 2.807 2.330 807 2HB LEU 95 1HB LEU 95 -15.176 4.385 2.575 808 HG LEU 95 HG LEU 95 -14.477 3.767 4.817 809 1HD1 LEU 95 1HD1 LEU 95 -15.050 0.990 4.916 810 2HD1 LEU 95 2HD1 LEU 95 -16.559 1.802 4.500 811 3HD1 LEU 95 3HD1 LEU 95 -15.689 2.256 5.965 812 1HD2 LEU 95 1HD2 LEU 95 -13.742 1.260 3.420 813 2HD2 LEU 95 2HD2 LEU 95 -12.705 2.504 4.118 814 3HD2 LEU 95 3HD2 LEU 95 -13.418 2.743 2.523 815 H ILE 96 H ILE 96 -18.085 5.253 1.697 816 HA ILE 96 HA ILE 96 -16.998 7.850 1.789 817 HB ILE 96 HB ILE 96 -19.678 6.753 0.899 818 1HG1 ILE 96 2HG1 ILE 96 -17.506 5.986 -0.188 819 2HG1 ILE 96 1HG1 ILE 96 -18.673 6.725 -1.285 820 1HG2 ILE 96 1HG2 ILE 96 -20.332 8.926 0.801 821 2HG2 ILE 96 2HG2 ILE 96 -19.237 9.038 -0.576 822 3HG2 ILE 96 3HG2 ILE 96 -18.688 9.522 1.028 823 1HD1 ILE 96 1HD1 ILE 96 -17.478 8.794 -1.316 824 2HD1 ILE 96 2HD1 ILE 96 -16.263 7.533 -1.524 825 3HD1 ILE 96 3HD1 ILE 96 -16.468 8.310 0.045 Start of MODEL 23 1 1H MET 1 1HT MET 1 -5.301 -17.020 8.663 2 2H MET 1 2HT MET 1 -5.638 -18.632 8.250 3 3H MET 1 3HT MET 1 -6.377 -17.928 9.608 4 HA MET 1 HA MET 1 -7.627 -18.136 7.283 5 1HB MET 1 2HB MET 1 -8.830 -15.988 8.185 6 2HB MET 1 1HB MET 1 -8.772 -17.420 9.219 7 1HG MET 1 2HG MET 1 -6.392 -15.784 9.557 8 2HG MET 1 1HG MET 1 -7.857 -14.852 9.868 9 1HE MET 1 1HE MET 1 -6.732 -14.698 12.462 10 2HE MET 1 2HE MET 1 -8.014 -15.420 13.430 11 3HE MET 1 3HE MET 1 -8.425 -14.482 11.997 12 H LYS 2 H LYS 2 -5.484 -17.530 5.839 13 HA LYS 2 HA LYS 2 -4.908 -14.776 5.422 14 1HB LYS 2 2HB LYS 2 -4.372 -15.705 3.002 15 2HB LYS 2 1HB LYS 2 -3.377 -16.175 4.368 16 1HG LYS 2 2HG LYS 2 -5.765 -17.866 3.961 17 2HG LYS 2 1HG LYS 2 -4.584 -17.942 2.653 18 1HD LYS 2 2HD LYS 2 -2.934 -18.840 4.003 19 2HD LYS 2 1HD LYS 2 -3.579 -18.090 5.466 20 1HE LYS 2 2HE LYS 2 -4.613 -20.044 5.959 21 2HE LYS 2 1HE LYS 2 -5.582 -19.870 4.482 22 1HZ LYS 2 1HZ LYS 2 -2.781 -20.789 4.354 23 2HZ LYS 2 2HZ LYS 2 -4.026 -21.007 3.218 24 3HZ LYS 2 3HZ LYS 2 -4.031 -21.891 4.669 25 H THR 3 H THR 3 -6.909 -13.700 5.508 26 HA THR 3 HA THR 3 -8.540 -13.891 2.991 27 HB THR 3 HB THR 3 -10.517 -13.530 4.395 28 HG1 THR 3 1HG THR 3 -10.033 -13.593 6.756 29 1HG2 THR 3 1HG2 THR 3 -9.350 -15.546 6.142 30 2HG2 THR 3 2HG2 THR 3 -8.936 -15.828 4.452 31 3HG2 THR 3 3HG2 THR 3 -10.627 -15.715 4.938 32 H ALA 4 H ALA 4 -8.014 -11.916 5.874 33 HA ALA 4 HA ALA 4 -7.474 -9.569 4.121 34 1HB ALA 4 1HB ALA 4 -8.940 -8.399 6.008 35 2HB ALA 4 2HB ALA 4 -9.607 -10.030 6.157 36 3HB ALA 4 3HB ALA 4 -9.683 -9.178 4.609 37 H TYR 5 H TYR 5 -6.582 -11.525 6.663 38 HA TYR 5 HA TYR 5 -5.407 -9.953 8.665 39 1HB TYR 5 2HB TYR 5 -4.216 -12.021 9.047 40 2HB TYR 5 1HB TYR 5 -5.780 -12.475 8.369 41 HD1 TYR 5 1HD TYR 5 -5.223 -11.626 5.450 42 HD2 TYR 5 2HD TYR 5 -2.886 -13.881 8.272 43 HE1 TYR 5 1HE TYR 5 -4.081 -12.721 3.589 44 HE2 TYR 5 2HE TYR 5 -1.720 -14.989 6.380 45 HH TYR 5 HH TYR 5 -1.709 -15.313 4.160 46 H ASP 6 H ASP 6 -2.718 -11.224 8.119 47 HA ASP 6 HA ASP 6 -0.900 -9.373 7.566 48 1HB ASP 6 2HB ASP 6 -1.330 -12.182 6.642 49 2HB ASP 6 1HB ASP 6 0.065 -11.314 5.987 50 H VAL 7 H VAL 7 -2.343 -11.142 4.813 51 HA VAL 7 HA VAL 7 -1.252 -9.585 2.751 52 HB VAL 7 HB VAL 7 -3.935 -10.999 2.891 53 1HG1 VAL 7 1HG1 VAL 7 -2.532 -11.129 0.373 54 2HG1 VAL 7 2HG1 VAL 7 -2.791 -9.444 0.838 55 3HG1 VAL 7 3HG1 VAL 7 -4.163 -10.547 0.703 56 1HG2 VAL 7 1HG2 VAL 7 -1.330 -12.090 1.818 57 2HG2 VAL 7 2HG2 VAL 7 -2.797 -12.972 2.248 58 3HG2 VAL 7 3HG2 VAL 7 -1.776 -12.287 3.512 59 H ILE 8 H ILE 8 -4.585 -9.236 2.262 60 HA ILE 8 HA ILE 8 -4.344 -6.323 2.284 61 HB ILE 8 HB ILE 8 -6.769 -8.075 1.819 62 1HG1 ILE 8 2HG1 ILE 8 -4.958 -7.145 -0.388 63 2HG1 ILE 8 1HG1 ILE 8 -4.536 -8.608 0.502 64 1HG2 ILE 8 1HG2 ILE 8 -7.647 -6.235 0.657 65 2HG2 ILE 8 2HG2 ILE 8 -6.052 -5.536 0.373 66 3HG2 ILE 8 3HG2 ILE 8 -6.784 -5.443 1.977 67 1HD1 ILE 8 1HD1 ILE 8 -6.024 -9.754 -0.724 68 2HD1 ILE 8 2HD1 ILE 8 -6.502 -8.279 -1.561 69 3HD1 ILE 8 3HD1 ILE 8 -7.315 -8.751 -0.068 70 H LEU 9 H LEU 9 -4.394 -5.400 4.319 71 HA LEU 9 HA LEU 9 -6.144 -6.447 6.436 72 1HB LEU 9 2HB LEU 9 -4.097 -4.270 6.095 73 2HB LEU 9 1HB LEU 9 -5.128 -4.283 7.526 74 HG LEU 9 HG LEU 9 -4.191 -6.945 7.113 75 1HD1 LEU 9 1HD1 LEU 9 -2.361 -5.999 5.794 76 2HD1 LEU 9 2HD1 LEU 9 -1.742 -6.542 7.353 77 3HD1 LEU 9 3HD1 LEU 9 -2.022 -4.824 7.065 78 1HD2 LEU 9 1HD2 LEU 9 -2.809 -5.871 9.274 79 2HD2 LEU 9 2HD2 LEU 9 -4.416 -6.596 9.340 80 3HD2 LEU 9 3HD2 LEU 9 -4.243 -4.850 9.158 81 H ALA 10 H ALA 10 -5.965 -3.025 6.403 82 HA ALA 10 HA ALA 10 -8.867 -2.888 5.683 83 1HB ALA 10 1HB ALA 10 -9.038 -1.567 7.517 84 2HB ALA 10 2HB ALA 10 -7.665 -0.580 7.015 85 3HB ALA 10 3HB ALA 10 -7.395 -2.076 7.911 86 HA PRO 11 HA PRO 11 -7.815 -0.388 2.215 87 1HB PRO 11 2HB PRO 11 -10.159 0.994 1.931 88 2HB PRO 11 1HB PRO 11 -9.993 -0.721 1.501 89 1HG PRO 11 2HG PRO 11 -11.204 0.514 3.916 90 2HG PRO 11 1HG PRO 11 -11.702 -0.922 3.011 91 1HD PRO 11 2HD PRO 11 -10.328 -0.999 5.383 92 2HD PRO 11 1HD PRO 11 -10.294 -2.294 4.168 93 H VAL 12 H VAL 12 -7.959 2.085 1.582 94 HA VAL 12 HA VAL 12 -7.362 3.692 4.045 95 HB VAL 12 HB VAL 12 -5.686 4.783 2.768 96 1HG1 VAL 12 1HG1 VAL 12 -4.264 3.030 2.475 97 2HG1 VAL 12 2HG1 VAL 12 -5.351 2.211 1.354 98 3HG1 VAL 12 3HG1 VAL 12 -5.609 2.072 3.093 99 1HG2 VAL 12 1HG2 VAL 12 -7.145 5.194 0.786 100 2HG2 VAL 12 2HG2 VAL 12 -6.898 3.519 0.289 101 3HG2 VAL 12 3HG2 VAL 12 -5.534 4.637 0.329 102 H LEU 13 H LEU 13 -8.515 5.593 4.325 103 HA LEU 13 HA LEU 13 -10.534 6.265 2.230 104 1HB LEU 13 2HB LEU 13 -10.235 6.837 5.188 105 2HB LEU 13 1HB LEU 13 -11.490 7.577 4.197 106 HG LEU 13 HG LEU 13 -12.481 5.632 5.183 107 1HD1 LEU 13 1HD1 LEU 13 -11.658 4.553 2.503 108 2HD1 LEU 13 2HD1 LEU 13 -12.604 6.040 2.585 109 3HD1 LEU 13 3HD1 LEU 13 -13.248 4.545 3.266 110 1HD2 LEU 13 1HD2 LEU 13 -10.363 3.838 4.032 111 2HD2 LEU 13 2HD2 LEU 13 -11.436 3.555 5.402 112 3HD2 LEU 13 3HD2 LEU 13 -10.064 4.650 5.568 113 H SER 14 H SER 14 -9.650 7.763 0.825 114 HA SER 14 HA SER 14 -8.866 10.383 1.883 115 1HB SER 14 2HB SER 14 -6.748 9.223 0.183 116 2HB SER 14 1HB SER 14 -6.604 10.188 1.649 117 HG SER 14 HG SER 14 -6.184 8.357 2.579 118 H GLU 15 H GLU 15 -9.265 11.948 0.321 119 HA GLU 15 HA GLU 15 -10.811 11.560 -1.936 120 1HB GLU 15 2HB GLU 15 -8.800 13.557 -1.022 121 2HB GLU 15 1HB GLU 15 -9.286 13.659 -2.715 122 1HG GLU 15 2HG GLU 15 -11.653 13.237 -1.204 123 2HG GLU 15 1HG GLU 15 -10.741 14.506 -0.386 124 H LYS 16 H LYS 16 -7.225 11.704 -1.938 125 HA LYS 16 HA LYS 16 -6.780 11.199 -4.663 126 1HB LYS 16 2HB LYS 16 -5.338 10.769 -2.083 127 2HB LYS 16 1HB LYS 16 -4.661 10.019 -3.529 128 1HG LYS 16 2HG LYS 16 -5.511 12.810 -3.922 129 2HG LYS 16 1HG LYS 16 -4.198 12.617 -2.759 130 1HD LYS 16 2HD LYS 16 -3.178 12.865 -4.921 131 2HD LYS 16 1HD LYS 16 -3.028 11.163 -4.478 132 1HE LYS 16 2HE LYS 16 -4.582 10.472 -6.060 133 2HE LYS 16 1HE LYS 16 -5.456 12.017 -6.025 134 1HZ LYS 16 1HZ LYS 16 -3.245 12.976 -6.878 135 2HZ LYS 16 2HZ LYS 16 -4.243 12.157 -7.983 136 3HZ LYS 16 3HZ LYS 16 -2.882 11.381 -7.325 137 H ALA 17 H ALA 17 -8.020 9.075 -2.228 138 HA ALA 17 HA ALA 17 -7.450 6.665 -3.899 139 1HB ALA 17 1HB ALA 17 -8.633 5.815 -1.572 140 2HB ALA 17 2HB ALA 17 -7.852 7.305 -1.043 141 3HB ALA 17 3HB ALA 17 -6.894 6.020 -1.780 142 H TYR 18 H TYR 18 -10.126 8.385 -2.264 143 HA TYR 18 HA TYR 18 -12.234 6.668 -3.153 144 1HB TYR 18 2HB TYR 18 -11.862 9.355 -1.981 145 2HB TYR 18 1HB TYR 18 -13.359 9.158 -2.895 146 HD1 TYR 18 1HD TYR 18 -13.956 6.303 -2.481 147 HD2 TYR 18 2HD TYR 18 -12.518 9.253 0.288 148 HE1 TYR 18 1HE TYR 18 -14.938 5.016 -0.600 149 HE2 TYR 18 2HE TYR 18 -13.501 7.970 2.169 150 HH TYR 18 HH TYR 18 -15.214 6.323 2.570 151 H ALA 19 H ALA 19 -10.741 9.555 -4.623 152 HA ALA 19 HA ALA 19 -12.542 9.785 -6.843 153 1HB ALA 19 1HB ALA 19 -9.996 10.643 -7.656 154 2HB ALA 19 2HB ALA 19 -9.986 10.841 -5.904 155 3HB ALA 19 3HB ALA 19 -11.226 11.637 -6.874 156 H GLY 20 H GLY 20 -10.204 7.446 -6.028 157 1HA GLY 20 2HA GLY 20 -9.985 6.484 -8.845 158 2HA GLY 20 1HA GLY 20 -8.888 6.023 -7.535 159 H PHE 21 H PHE 21 -10.598 5.448 -5.498 160 HA PHE 21 HA PHE 21 -11.469 2.801 -5.905 161 1HB PHE 21 2HB PHE 21 -11.365 4.691 -3.883 162 2HB PHE 21 1HB PHE 21 -13.101 4.464 -4.091 163 HD1 PHE 21 1HD PHE 21 -10.147 3.184 -2.586 164 HD2 PHE 21 2HD PHE 21 -13.940 1.986 -4.206 165 HE1 PHE 21 1HE PHE 21 -10.025 1.065 -1.303 166 HE2 PHE 21 2HE PHE 21 -13.820 -0.133 -2.924 167 HZ PHE 21 HZ PHE 21 -11.861 -0.593 -1.471 168 H ALA 22 H ALA 22 -12.913 5.845 -6.761 169 HA ALA 22 HA ALA 22 -15.626 5.216 -7.015 170 1HB ALA 22 1HB ALA 22 -15.395 7.002 -8.905 171 2HB ALA 22 2HB ALA 22 -13.701 7.051 -8.413 172 3HB ALA 22 3HB ALA 22 -14.969 7.457 -7.254 173 H GLU 23 H GLU 23 -12.912 4.399 -9.107 174 HA GLU 23 HA GLU 23 -14.662 3.429 -11.279 175 1HB GLU 23 2HB GLU 23 -12.203 4.559 -11.178 176 2HB GLU 23 1HB GLU 23 -11.743 2.856 -11.194 177 1HG GLU 23 2HG GLU 23 -12.162 2.751 -13.399 178 2HG GLU 23 1HG GLU 23 -13.833 3.237 -13.113 179 H GLY 24 H GLY 24 -14.295 2.156 -8.402 180 1HA GLY 24 2HA GLY 24 -14.781 -0.071 -7.755 181 2HA GLY 24 1HA GLY 24 -14.401 -0.585 -9.391 182 H LYS 25 H LYS 25 -12.052 1.501 -8.097 183 HA LYS 25 HA LYS 25 -10.079 -0.674 -7.987 184 1HB LYS 25 2HB LYS 25 -10.038 2.331 -7.576 185 2HB LYS 25 1HB LYS 25 -8.589 1.335 -7.446 186 1HG LYS 25 2HG LYS 25 -8.544 0.858 -9.708 187 2HG LYS 25 1HG LYS 25 -10.290 1.028 -9.885 188 1HD LYS 25 2HD LYS 25 -10.139 3.437 -9.740 189 2HD LYS 25 1HD LYS 25 -8.425 3.351 -9.329 190 1HE LYS 25 2HE LYS 25 -9.096 1.947 -11.832 191 2HE LYS 25 1HE LYS 25 -9.383 3.698 -11.888 192 1HZ LYS 25 1HZ LYS 25 -6.933 2.631 -10.643 193 2HZ LYS 25 2HZ LYS 25 -7.210 4.168 -11.311 194 3HZ LYS 25 3HZ LYS 25 -7.008 2.821 -12.327 195 H TYR 26 H TYR 26 -9.017 -1.378 -6.049 196 HA TYR 26 HA TYR 26 -10.222 -0.337 -3.511 197 1HB TYR 26 2HB TYR 26 -9.763 -3.108 -4.561 198 2HB TYR 26 1HB TYR 26 -9.827 -2.831 -2.823 199 HD1 TYR 26 1HD TYR 26 -11.706 -2.165 -5.985 200 HD2 TYR 26 2HD TYR 26 -11.900 -2.638 -1.720 201 HE1 TYR 26 1HE TYR 26 -14.181 -2.073 -6.088 202 HE2 TYR 26 2HE TYR 26 -14.376 -2.545 -1.823 203 HH TYR 26 HH TYR 26 -16.060 -1.749 -4.803 204 H THR 27 H THR 27 -8.490 0.925 -2.854 205 HA THR 27 HA THR 27 -5.740 -0.035 -2.852 206 HB THR 27 HB THR 27 -6.846 2.290 -1.286 207 HG1 THR 27 1HG THR 27 -7.656 2.990 -3.081 208 1HG2 THR 27 1HG2 THR 27 -4.690 2.952 -1.230 209 2HG2 THR 27 2HG2 THR 27 -4.481 2.660 -2.957 210 3HG2 THR 27 3HG2 THR 27 -4.291 1.334 -1.810 211 H PHE 28 H PHE 28 -4.912 -1.306 -1.267 212 HA PHE 28 HA PHE 28 -6.366 -1.384 1.359 213 1HB PHE 28 2HB PHE 28 -5.145 -3.533 -0.378 214 2HB PHE 28 1HB PHE 28 -5.587 -3.814 1.299 215 HD1 PHE 28 1HD PHE 28 -8.065 -2.086 1.434 216 HD2 PHE 28 2HD PHE 28 -6.691 -4.903 -1.504 217 HE1 PHE 28 1HE PHE 28 -10.410 -2.490 0.735 218 HE2 PHE 28 2HE PHE 28 -9.040 -5.303 -2.211 219 HZ PHE 28 HZ PHE 28 -10.897 -4.100 -1.089 220 H TRP 29 H TRP 29 -5.006 -2.181 3.145 221 HA TRP 29 HA TRP 29 -2.162 -1.287 2.908 222 1HB TRP 29 2HB TRP 29 -4.227 -1.477 5.111 223 2HB TRP 29 1HB TRP 29 -2.512 -1.466 5.521 224 HD1 TRP 29 HD TRP 29 -5.288 0.817 5.031 225 HE1 TRP 29 1HE TRP 29 -4.472 3.225 4.609 226 HE3 TRP 29 3HE TRP 29 -0.357 -0.082 4.045 227 HZ2 TRP 29 2HZ TRP 29 -2.049 4.590 3.943 228 HZ3 TRP 29 3HZ TRP 29 1.181 1.789 3.520 229 HH2 TRP 29 HH TRP 29 0.343 4.122 3.468 230 H VAL 30 H VAL 30 -0.781 -3.074 2.738 231 HA VAL 30 HA VAL 30 -1.675 -5.560 4.099 232 HB VAL 30 HB VAL 30 -2.572 -5.821 1.968 233 1HG1 VAL 30 1HG1 VAL 30 -0.057 -4.491 0.924 234 2HG1 VAL 30 2HG1 VAL 30 -1.693 -3.836 0.899 235 3HG1 VAL 30 3HG1 VAL 30 -1.282 -5.217 -0.117 236 1HG2 VAL 30 1HG2 VAL 30 0.094 -6.881 1.228 237 2HG2 VAL 30 2HG2 VAL 30 -1.498 -7.634 1.119 238 3HG2 VAL 30 3HG2 VAL 30 -0.680 -7.516 2.678 239 H HIS 31 H HIS 31 -0.034 -7.129 4.372 240 HA HIS 31 HA HIS 31 2.493 -6.140 5.234 241 1HB HIS 31 2HB HIS 31 0.974 -8.390 5.512 242 2HB HIS 31 1HB HIS 31 2.253 -8.988 4.455 243 HD1 HIS 31 1HD HIS 31 3.711 -10.253 6.085 244 HD2 HIS 31 2HD HIS 31 2.788 -6.423 7.447 245 HE1 HIS 31 1HE HIS 31 5.098 -9.881 8.171 246 HA PRO 32 HA PRO 32 4.849 -6.106 1.515 247 1HB PRO 32 2HB PRO 32 7.343 -6.480 2.569 248 2HB PRO 32 1HB PRO 32 6.448 -4.961 2.721 249 1HG PRO 32 2HG PRO 32 6.816 -7.137 4.709 250 2HG PRO 32 1HG PRO 32 6.787 -5.383 4.948 251 1HD PRO 32 2HD PRO 32 4.675 -7.026 5.501 252 2HD PRO 32 1HD PRO 32 4.507 -5.308 5.079 253 H LYS 33 H LYS 33 3.689 -8.346 1.212 254 HA LYS 33 HA LYS 33 5.608 -10.288 0.337 255 1HB LYS 33 2HB LYS 33 4.912 -11.987 2.177 256 2HB LYS 33 1HB LYS 33 6.066 -10.730 2.621 257 1HG LYS 33 2HG LYS 33 4.658 -9.996 4.212 258 2HG LYS 33 1HG LYS 33 3.434 -9.671 2.992 259 1HD LYS 33 2HD LYS 33 3.518 -12.494 3.385 260 2HD LYS 33 1HD LYS 33 3.451 -11.738 4.977 261 1HE LYS 33 2HE LYS 33 1.403 -10.654 4.513 262 2HE LYS 33 1HE LYS 33 1.601 -10.842 2.759 263 1HZ LYS 33 1HZ LYS 33 1.521 -13.260 3.077 264 2HZ LYS 33 2HZ LYS 33 0.082 -12.511 3.584 265 3HZ LYS 33 3HZ LYS 33 1.220 -13.035 4.731 266 H ALA 34 H ALA 34 2.327 -9.611 1.469 267 HA ALA 34 HA ALA 34 0.831 -11.757 0.561 268 1HB ALA 34 1HB ALA 34 0.463 -9.033 1.226 269 2HB ALA 34 2HB ALA 34 -0.790 -10.263 1.056 270 3HB ALA 34 3HB ALA 34 -0.343 -9.263 -0.325 271 H THR 35 H THR 35 1.821 -12.733 -1.318 272 HA THR 35 HA THR 35 2.735 -11.633 -3.674 273 HB THR 35 HB THR 35 1.336 -13.779 -4.596 274 HG1 THR 35 1HG THR 35 1.793 -14.498 -1.940 275 1HG2 THR 35 1HG2 THR 35 3.290 -15.128 -3.913 276 2HG2 THR 35 2HG2 THR 35 3.772 -13.852 -2.794 277 3HG2 THR 35 3HG2 THR 35 3.783 -13.552 -4.532 278 H LYS 36 H LYS 36 1.836 -10.611 -5.464 279 HA LYS 36 HA LYS 36 -0.507 -9.137 -5.411 280 1HB LYS 36 2HB LYS 36 1.474 -9.575 -7.186 281 2HB LYS 36 1HB LYS 36 0.191 -10.491 -7.979 282 1HG LYS 36 2HG LYS 36 -0.773 -8.592 -8.698 283 2HG LYS 36 1HG LYS 36 -0.873 -7.986 -7.044 284 1HD LYS 36 2HD LYS 36 1.584 -7.345 -7.262 285 2HD LYS 36 1HD LYS 36 1.428 -7.684 -8.985 286 1HE LYS 36 2HE LYS 36 -0.614 -5.886 -7.721 287 2HE LYS 36 1HE LYS 36 0.997 -5.226 -8.069 288 1HZ LYS 36 1HZ LYS 36 -0.990 -6.342 -9.924 289 2HZ LYS 36 2HZ LYS 36 0.659 -6.506 -10.299 290 3HZ LYS 36 3HZ LYS 36 -0.020 -4.962 -10.095 291 H THR 37 H THR 37 -0.142 -12.546 -6.339 292 HA THR 37 HA THR 37 -2.884 -12.949 -7.148 293 HB THR 37 HB THR 37 -0.990 -14.982 -6.058 294 HG1 THR 37 1HG THR 37 -0.998 -13.745 -8.598 295 1HG2 THR 37 1HG2 THR 37 -2.036 -16.388 -7.817 296 2HG2 THR 37 2HG2 THR 37 -3.084 -15.030 -8.229 297 3HG2 THR 37 3HG2 THR 37 -3.207 -15.789 -6.641 298 H GLU 38 H GLU 38 -1.087 -13.580 -4.139 299 HA GLU 38 HA GLU 38 -3.149 -14.787 -2.627 300 1HB GLU 38 2HB GLU 38 -0.660 -13.224 -2.142 301 2HB GLU 38 1HB GLU 38 -1.763 -13.378 -0.774 302 1HG GLU 38 2HG GLU 38 -0.971 -15.784 -2.413 303 2HG GLU 38 1HG GLU 38 0.035 -15.219 -1.078 304 H ILE 39 H ILE 39 -2.407 -11.335 -3.141 305 HA ILE 39 HA ILE 39 -4.330 -10.213 -1.373 306 HB ILE 39 HB ILE 39 -3.178 -9.358 -4.046 307 1HG1 ILE 39 2HG1 ILE 39 -2.596 -8.314 -1.267 308 2HG1 ILE 39 1HG1 ILE 39 -1.711 -9.668 -1.969 309 1HG2 ILE 39 1HG2 ILE 39 -4.215 -7.298 -3.897 310 2HG2 ILE 39 2HG2 ILE 39 -4.366 -7.384 -2.144 311 3HG2 ILE 39 3HG2 ILE 39 -5.471 -8.298 -3.170 312 1HD1 ILE 39 1HD1 ILE 39 -1.856 -7.535 -3.893 313 2HD1 ILE 39 2HD1 ILE 39 -0.425 -8.260 -3.158 314 3HD1 ILE 39 3HD1 ILE 39 -1.231 -6.902 -2.369 315 H LYS 40 H LYS 40 -4.620 -11.653 -4.564 316 HA LYS 40 HA LYS 40 -7.269 -10.757 -5.217 317 1HB LYS 40 2HB LYS 40 -5.494 -11.856 -6.680 318 2HB LYS 40 1HB LYS 40 -5.920 -13.384 -5.911 319 1HG LYS 40 2HG LYS 40 -8.126 -13.338 -6.774 320 2HG LYS 40 1HG LYS 40 -8.007 -11.633 -7.210 321 1HD LYS 40 2HD LYS 40 -6.121 -12.327 -8.801 322 2HD LYS 40 1HD LYS 40 -6.648 -13.988 -8.529 323 1HE LYS 40 2HE LYS 40 -8.926 -12.271 -9.105 324 2HE LYS 40 1HE LYS 40 -7.725 -12.208 -10.412 325 1HZ LYS 40 1HZ LYS 40 -7.600 -14.660 -10.285 326 2HZ LYS 40 2HZ LYS 40 -9.130 -14.102 -10.767 327 3HZ LYS 40 3HZ LYS 40 -8.883 -14.651 -9.177 328 H ASN 41 H ASN 41 -6.034 -13.669 -3.589 329 HA ASN 41 HA ASN 41 -8.636 -14.844 -3.115 330 1HB ASN 41 2HB ASN 41 -5.801 -15.263 -2.200 331 2HB ASN 41 1HB ASN 41 -7.110 -16.178 -1.450 332 1HD2 ASN 41 1HD2 ASN 41 -5.161 -15.866 -4.332 333 2HD2 ASN 41 2HD2 ASN 41 -5.880 -17.136 -5.197 334 H ALA 42 H ALA 42 -6.379 -12.971 -1.018 335 HA ALA 42 HA ALA 42 -7.860 -13.210 1.391 336 1HB ALA 42 1HB ALA 42 -6.748 -10.745 1.617 337 2HB ALA 42 2HB ALA 42 -5.854 -11.349 0.215 338 3HB ALA 42 3HB ALA 42 -5.799 -12.233 1.739 339 H VAL 43 H VAL 43 -8.039 -10.586 -1.054 340 HA VAL 43 HA VAL 43 -10.203 -9.201 0.204 341 HB VAL 43 HB VAL 43 -8.545 -9.059 -2.136 342 1HG1 VAL 43 1HG1 VAL 43 -11.495 -8.579 -2.663 343 2HG1 VAL 43 2HG1 VAL 43 -10.471 -9.769 -3.467 344 3HG1 VAL 43 3HG1 VAL 43 -10.184 -8.048 -3.717 345 1HG2 VAL 43 1HG2 VAL 43 -9.642 -7.409 -0.158 346 2HG2 VAL 43 2HG2 VAL 43 -10.263 -6.767 -1.679 347 3HG2 VAL 43 3HG2 VAL 43 -8.523 -6.924 -1.432 348 H GLU 44 H GLU 44 -10.200 -11.607 -2.462 349 HA GLU 44 HA GLU 44 -12.999 -11.675 -2.930 350 1HB GLU 44 2HB GLU 44 -10.610 -13.291 -3.434 351 2HB GLU 44 1HB GLU 44 -12.059 -14.280 -3.259 352 1HG GLU 44 2HG GLU 44 -12.628 -11.930 -4.851 353 2HG GLU 44 1HG GLU 44 -11.277 -12.829 -5.541 354 H THR 45 H THR 45 -11.007 -13.549 -0.639 355 HA THR 45 HA THR 45 -13.308 -14.903 0.533 356 HB THR 45 HB THR 45 -10.483 -15.104 0.450 357 HG1 THR 45 1HG THR 45 -11.867 -16.817 0.165 358 1HG2 THR 45 1HG2 THR 45 -10.344 -13.960 2.579 359 2HG2 THR 45 2HG2 THR 45 -10.058 -15.679 2.850 360 3HG2 THR 45 3HG2 THR 45 -11.628 -14.970 3.238 361 H ALA 46 H ALA 46 -11.878 -11.829 0.873 362 HA ALA 46 HA ALA 46 -12.814 -11.476 3.676 363 1HB ALA 46 1HB ALA 46 -10.578 -10.701 3.046 364 2HB ALA 46 2HB ALA 46 -11.594 -9.308 3.415 365 3HB ALA 46 3HB ALA 46 -11.257 -9.735 1.737 366 H PHE 47 H PHE 47 -12.941 -9.299 0.835 367 HA PHE 47 HA PHE 47 -15.422 -8.082 1.712 368 1HB PHE 47 2HB PHE 47 -13.718 -8.038 -0.784 369 2HB PHE 47 1HB PHE 47 -15.213 -7.108 -0.673 370 HD1 PHE 47 1HD PHE 47 -11.756 -6.942 -0.184 371 HD2 PHE 47 2HD PHE 47 -15.452 -5.778 1.671 372 HE1 PHE 47 1HE PHE 47 -10.565 -5.171 1.080 373 HE2 PHE 47 2HE PHE 47 -14.261 -4.007 2.935 374 HZ PHE 47 HZ PHE 47 -11.817 -3.704 2.640 375 H LYS 48 H LYS 48 -14.622 -10.831 -0.264 376 HA LYS 48 HA LYS 48 -16.024 -12.466 -1.226 377 1HB LYS 48 2HB LYS 48 -17.517 -11.126 0.816 378 2HB LYS 48 1HB LYS 48 -18.594 -11.397 -0.555 379 1HG LYS 48 2HG LYS 48 -17.059 -13.762 -0.247 380 2HG LYS 48 1HG LYS 48 -17.620 -13.307 1.362 381 1HD LYS 48 2HD LYS 48 -19.361 -14.653 0.446 382 2HD LYS 48 1HD LYS 48 -19.931 -12.989 0.308 383 1HE LYS 48 2HE LYS 48 -19.359 -12.899 -2.036 384 2HE LYS 48 1HE LYS 48 -18.504 -14.452 -1.939 385 1HZ LYS 48 1HZ LYS 48 -21.056 -14.274 -2.634 386 2HZ LYS 48 2HZ LYS 48 -21.242 -14.408 -0.950 387 3HZ LYS 48 3HZ LYS 48 -20.421 -15.617 -1.816 388 H VAL 49 H VAL 49 -15.136 -10.315 -2.783 389 HA VAL 49 HA VAL 49 -17.501 -9.737 -4.517 390 HB VAL 49 HB VAL 49 -16.101 -7.943 -3.189 391 1HG1 VAL 49 1HG1 VAL 49 -14.041 -7.346 -3.988 392 2HG1 VAL 49 2HG1 VAL 49 -14.447 -7.782 -5.648 393 3HG1 VAL 49 3HG1 VAL 49 -14.001 -9.036 -4.491 394 1HG2 VAL 49 1HG2 VAL 49 -17.112 -6.471 -4.558 395 2HG2 VAL 49 2HG2 VAL 49 -17.737 -7.906 -5.369 396 3HG2 VAL 49 3HG2 VAL 49 -16.294 -7.101 -5.988 397 H LYS 50 H LYS 50 -15.996 -8.825 -6.715 398 HA LYS 50 HA LYS 50 -14.589 -11.330 -7.584 399 1HB LYS 50 2HB LYS 50 -16.889 -10.625 -8.561 400 2HB LYS 50 1HB LYS 50 -15.991 -9.344 -9.379 401 1HG LYS 50 2HG LYS 50 -15.073 -12.208 -9.544 402 2HG LYS 50 1HG LYS 50 -16.320 -11.596 -10.634 403 1HD LYS 50 2HD LYS 50 -14.373 -9.615 -10.708 404 2HD LYS 50 1HD LYS 50 -13.435 -11.108 -10.652 405 1HE LYS 50 2HE LYS 50 -15.705 -10.582 -12.606 406 2HE LYS 50 1HE LYS 50 -13.978 -10.459 -12.998 407 1HZ LYS 50 1HZ LYS 50 -13.644 -12.722 -12.444 408 2HZ LYS 50 2HZ LYS 50 -15.007 -12.685 -13.458 409 3HZ LYS 50 3HZ LYS 50 -15.198 -12.874 -11.780 410 H VAL 51 H VAL 51 -12.423 -10.754 -7.382 411 HA VAL 51 HA VAL 51 -11.470 -8.051 -7.938 412 HB VAL 51 HB VAL 51 -10.247 -10.741 -7.310 413 1HG1 VAL 51 1HG1 VAL 51 -8.182 -9.012 -6.963 414 2HG1 VAL 51 2HG1 VAL 51 -8.961 -8.285 -8.368 415 3HG1 VAL 51 3HG1 VAL 51 -8.412 -9.960 -8.432 416 1HG2 VAL 51 1HG2 VAL 51 -9.440 -8.995 -5.394 417 2HG2 VAL 51 2HG2 VAL 51 -10.936 -9.921 -5.285 418 3HG2 VAL 51 3HG2 VAL 51 -10.971 -8.253 -5.858 419 H VAL 52 H VAL 52 -11.170 -7.314 -10.001 420 HA VAL 52 HA VAL 52 -10.724 -9.306 -12.174 421 HB VAL 52 HB VAL 52 -12.628 -7.660 -12.211 422 1HG1 VAL 52 1HG1 VAL 52 -10.910 -5.463 -13.094 423 2HG1 VAL 52 2HG1 VAL 52 -10.745 -5.846 -11.383 424 3HG1 VAL 52 3HG1 VAL 52 -12.330 -5.439 -12.049 425 1HG2 VAL 52 1HG2 VAL 52 -11.179 -6.717 -14.519 426 2HG2 VAL 52 2HG2 VAL 52 -12.526 -7.858 -14.442 427 3HG2 VAL 52 3HG2 VAL 52 -10.867 -8.433 -14.253 428 H LYS 53 H LYS 53 -9.018 -7.114 -10.235 429 HA LYS 53 HA LYS 53 -6.539 -7.550 -11.628 430 1HB LYS 53 2HB LYS 53 -6.378 -5.678 -12.967 431 2HB LYS 53 1HB LYS 53 -8.135 -5.795 -12.938 432 1HG LYS 53 2HG LYS 53 -8.025 -4.315 -10.854 433 2HG LYS 53 1HG LYS 53 -6.362 -3.976 -11.318 434 1HD LYS 53 2HD LYS 53 -8.524 -3.706 -13.380 435 2HD LYS 53 1HD LYS 53 -8.317 -2.421 -12.189 436 1HE LYS 53 2HE LYS 53 -5.996 -2.101 -12.846 437 2HE LYS 53 1HE LYS 53 -6.077 -3.500 -13.936 438 1HZ LYS 53 1HZ LYS 53 -6.603 -1.819 -15.380 439 2HZ LYS 53 2HZ LYS 53 -7.361 -0.871 -14.191 440 3HZ LYS 53 3HZ LYS 53 -8.155 -2.229 -14.834 441 H VAL 54 H VAL 54 -4.942 -7.259 -10.087 442 HA VAL 54 HA VAL 54 -5.571 -5.422 -7.801 443 HB VAL 54 HB VAL 54 -4.848 -8.269 -7.951 444 1HG1 VAL 54 1HG1 VAL 54 -3.408 -8.258 -5.944 445 2HG1 VAL 54 2HG1 VAL 54 -3.405 -6.493 -5.952 446 3HG1 VAL 54 3HG1 VAL 54 -2.635 -7.383 -7.267 447 1HG2 VAL 54 1HG2 VAL 54 -6.433 -8.321 -6.347 448 2HG2 VAL 54 2HG2 VAL 54 -6.631 -6.587 -6.603 449 3HG2 VAL 54 3HG2 VAL 54 -5.536 -7.174 -5.349 450 H ASN 55 H ASN 55 -4.088 -3.834 -7.531 451 HA ASN 55 HA ASN 55 -1.306 -4.289 -8.532 452 1HB ASN 55 2HB ASN 55 -3.023 -2.809 -9.901 453 2HB ASN 55 1HB ASN 55 -2.657 -1.606 -8.665 454 1HD2 ASN 55 1HD2 ASN 55 -1.556 -0.306 -10.376 455 2HD2 ASN 55 2HD2 ASN 55 0.003 -0.738 -10.890 456 H THR 56 H THR 56 -0.035 -4.219 -6.722 457 HA THR 56 HA THR 56 -0.832 -2.313 -4.562 458 HB THR 56 HB THR 56 -0.738 -4.159 -3.249 459 HG1 THR 56 1HG THR 56 1.955 -4.491 -4.019 460 1HG2 THR 56 1HG2 THR 56 0.564 -5.563 -5.595 461 2HG2 THR 56 2HG2 THR 56 -1.143 -5.610 -5.144 462 3HG2 THR 56 3HG2 THR 56 0.067 -6.361 -4.104 463 H LEU 57 H LEU 57 0.942 -1.245 -3.427 464 HA LEU 57 HA LEU 57 3.569 -1.221 -4.833 465 1HB LEU 57 2HB LEU 57 3.319 1.348 -4.797 466 2HB LEU 57 1HB LEU 57 2.356 0.475 -5.988 467 HG LEU 57 HG LEU 57 0.924 0.624 -3.483 468 1HD1 LEU 57 1HD1 LEU 57 2.531 2.906 -4.010 469 2HD1 LEU 57 2HD1 LEU 57 1.253 2.743 -2.805 470 3HD1 LEU 57 3HD1 LEU 57 0.872 3.344 -4.419 471 1HD2 LEU 57 1HD2 LEU 57 -0.702 1.843 -5.036 472 2HD2 LEU 57 2HD2 LEU 57 -0.223 0.225 -5.548 473 3HD2 LEU 57 3HD2 LEU 57 0.507 1.641 -6.305 474 H HIS 58 H HIS 58 5.126 0.259 -3.540 475 HA HIS 58 HA HIS 58 4.876 -0.419 -0.684 476 1HB HIS 58 2HB HIS 58 6.921 0.202 -2.641 477 2HB HIS 58 1HB HIS 58 7.149 1.178 -1.190 478 HD1 HIS 58 1HD HIS 58 9.223 -0.952 -1.640 479 HD2 HIS 58 2HD HIS 58 5.676 -1.723 0.413 480 HE1 HIS 58 1HE HIS 58 9.655 -2.993 -0.202 481 H VAL 59 H VAL 59 4.123 0.988 0.834 482 HA VAL 59 HA VAL 59 3.935 3.891 0.101 483 HB VAL 59 HB VAL 59 2.098 3.433 2.129 484 1HG1 VAL 59 1HG1 VAL 59 1.605 3.213 -0.853 485 2HG1 VAL 59 2HG1 VAL 59 1.807 4.730 0.023 486 3HG1 VAL 59 3HG1 VAL 59 0.428 3.687 0.371 487 1HG2 VAL 59 1HG2 VAL 59 0.855 1.428 1.571 488 2HG2 VAL 59 2HG2 VAL 59 2.528 0.957 1.862 489 3HG2 VAL 59 3HG2 VAL 59 1.925 1.087 0.211 490 H ARG 60 H ARG 60 5.028 5.269 1.449 491 HA ARG 60 HA ARG 60 6.029 4.159 4.051 492 1HB ARG 60 2HB ARG 60 7.190 6.427 2.416 493 2HB ARG 60 1HB ARG 60 7.985 5.490 3.683 494 1HG ARG 60 2HG ARG 60 7.115 4.478 0.960 495 2HG ARG 60 1HG ARG 60 8.773 4.701 1.521 496 1HD ARG 60 2HD ARG 60 8.175 3.052 3.418 497 2HD ARG 60 1HD ARG 60 6.754 2.641 2.434 498 HE ARG 60 HE ARG 60 8.249 1.429 1.075 499 1HH1 ARG 60 1HH1 ARG 60 10.414 2.377 3.197 500 2HH1 ARG 60 2HH1 ARG 60 11.652 2.893 2.101 501 1HH2 ARG 60 1HH2 ARG 60 9.573 2.877 -0.674 502 2HH2 ARG 60 2HH2 ARG 60 11.177 3.175 -0.090 503 H GLY 61 H GLY 61 5.288 5.190 5.866 504 1HA GLY 61 2HA GLY 61 3.295 7.126 5.939 505 2HA GLY 61 1HA GLY 61 4.464 6.917 7.243 506 H LYS 62 H LYS 62 3.339 9.444 6.307 507 HA LYS 62 HA LYS 62 5.438 10.798 4.762 508 1HB LYS 62 2HB LYS 62 2.907 11.625 6.205 509 2HB LYS 62 1HB LYS 62 3.939 12.785 5.367 510 1HG LYS 62 2HG LYS 62 3.425 10.472 3.693 511 2HG LYS 62 1HG LYS 62 1.913 11.213 4.222 512 1HD LYS 62 2HD LYS 62 4.216 12.783 3.035 513 2HD LYS 62 1HD LYS 62 2.856 12.183 2.086 514 1HE LYS 62 2HE LYS 62 2.482 13.926 4.540 515 2HE LYS 62 1HE LYS 62 2.601 14.585 2.896 516 1HZ LYS 62 1HZ LYS 62 0.867 12.855 2.297 517 2HZ LYS 62 2HZ LYS 62 0.327 14.182 3.209 518 3HZ LYS 62 3HZ LYS 62 0.599 12.683 3.963 519 H LYS 63 H LYS 63 4.706 10.209 8.120 520 HA LYS 63 HA LYS 63 6.148 12.435 9.262 521 1HB LYS 63 2HB LYS 63 5.596 9.671 10.390 522 2HB LYS 63 1HB LYS 63 5.885 11.147 11.312 523 1HG LYS 63 2HG LYS 63 3.840 12.044 9.876 524 2HG LYS 63 1HG LYS 63 3.460 10.325 9.764 525 1HD LYS 63 2HD LYS 63 2.838 10.205 11.940 526 2HD LYS 63 1HD LYS 63 4.207 11.182 12.473 527 1HE LYS 63 2HE LYS 63 2.551 12.725 12.913 528 2HE LYS 63 1HE LYS 63 2.727 13.077 11.182 529 1HZ LYS 63 1HZ LYS 63 0.985 10.894 12.154 530 2HZ LYS 63 2HZ LYS 63 0.978 11.652 10.634 531 3HZ LYS 63 3HZ LYS 63 0.405 12.481 12.003 532 H LYS 64 H LYS 64 7.954 11.874 7.441 533 HA LYS 64 HA LYS 64 9.794 9.827 7.574 534 1HB LYS 64 2HB LYS 64 11.452 11.647 6.941 535 2HB LYS 64 1HB LYS 64 9.963 11.640 5.994 536 1HG LYS 64 2HG LYS 64 9.156 13.566 6.990 537 2HG LYS 64 1HG LYS 64 10.031 13.279 8.495 538 1HD LYS 64 2HD LYS 64 11.205 15.074 7.517 539 2HD LYS 64 1HD LYS 64 12.168 13.665 7.072 540 1HE LYS 64 2HE LYS 64 11.972 14.648 4.978 541 2HE LYS 64 1HE LYS 64 10.476 13.694 4.968 542 1HZ LYS 64 1HZ LYS 64 9.212 15.510 5.623 543 2HZ LYS 64 2HZ LYS 64 10.304 16.204 4.522 544 3HZ LYS 64 3HZ LYS 64 10.551 16.378 6.193 545 H ARG 65 H ARG 65 12.052 9.921 8.622 546 HA ARG 65 HA ARG 65 11.896 9.811 11.445 547 1HB ARG 65 2HB ARG 65 14.423 9.904 11.230 548 2HB ARG 65 1HB ARG 65 13.644 8.722 10.178 549 1HG ARG 65 2HG ARG 65 13.759 11.305 8.876 550 2HG ARG 65 1HG ARG 65 15.370 10.804 9.392 551 1HD ARG 65 2HD ARG 65 13.705 8.686 8.128 552 2HD ARG 65 1HD ARG 65 14.286 9.975 7.055 553 HE ARG 65 HE ARG 65 16.035 8.205 8.704 554 1HH1 ARG 65 1HH2 ARG 65 16.968 11.088 8.177 555 2HH1 ARG 65 2HH2 ARG 65 17.966 10.851 6.781 556 1HH2 ARG 65 1HH1 ARG 65 16.713 7.692 6.091 557 2HH2 ARG 65 2HH1 ARG 65 17.822 8.929 5.601 558 H LEU 66 H LEU 66 12.116 12.565 9.370 559 HA LEU 66 HA LEU 66 12.354 14.870 9.841 560 1HB LEU 66 2HB LEU 66 10.468 14.469 11.270 561 2HB LEU 66 1HB LEU 66 11.474 13.671 12.480 562 HG LEU 66 HG LEU 66 12.707 15.850 12.778 563 1HD1 LEU 66 1HD1 LEU 66 12.289 17.600 11.422 564 2HD1 LEU 66 2HD1 LEU 66 10.557 17.496 11.741 565 3HD1 LEU 66 3HD1 LEU 66 11.276 16.530 10.453 566 1HD2 LEU 66 1HD2 LEU 66 10.644 16.992 13.886 567 2HD2 LEU 66 2HD2 LEU 66 11.122 15.395 14.462 568 3HD2 LEU 66 3HD2 LEU 66 9.761 15.561 13.353 569 H GLY 67 H GLY 67 14.502 15.486 9.688 570 1HA GLY 67 2HA GLY 67 16.766 15.742 10.283 571 2HA GLY 67 1HA GLY 67 16.086 16.149 11.857 572 H ARG 68 H ARG 68 18.244 15.060 12.470 573 HA ARG 68 HA ARG 68 18.421 12.171 12.214 574 1HB ARG 68 2HB ARG 68 20.500 13.059 12.514 575 2HB ARG 68 1HB ARG 68 19.892 14.432 13.432 576 1HG ARG 68 2HG ARG 68 19.856 13.214 15.452 577 2HG ARG 68 1HG ARG 68 19.930 11.661 14.620 578 1HD ARG 68 2HD ARG 68 22.234 13.085 13.793 579 2HD ARG 68 1HD ARG 68 22.123 13.295 15.552 580 HE ARG 68 HE ARG 68 21.628 10.559 14.561 581 1HH1 ARG 68 1HH2 ARG 68 24.472 12.039 14.318 582 2HH1 ARG 68 2HH2 ARG 68 25.281 11.235 15.621 583 1HH2 ARG 68 1HH1 ARG 68 22.376 9.869 16.933 584 2HH2 ARG 68 2HH1 ARG 68 24.095 10.007 17.101 585 H TYR 69 H TYR 69 17.392 10.712 13.454 586 HA TYR 69 HA TYR 69 16.814 11.133 16.286 587 1HB TYR 69 2HB TYR 69 15.050 12.479 15.420 588 2HB TYR 69 1HB TYR 69 14.730 11.340 14.112 589 HD1 TYR 69 1HD TYR 69 14.536 11.799 17.803 590 HD2 TYR 69 2HD TYR 69 13.234 9.510 14.410 591 HE1 TYR 69 1HE TYR 69 12.864 10.644 19.224 592 HE2 TYR 69 2HE TYR 69 11.562 8.355 15.832 593 HH TYR 69 HH TYR 69 11.251 9.132 19.302 594 H LEU 70 H LEU 70 15.385 9.173 17.052 595 HA LEU 70 HA LEU 70 16.450 6.745 15.751 596 1HB LEU 70 2HB LEU 70 15.566 5.676 17.776 597 2HB LEU 70 1HB LEU 70 16.596 7.049 18.168 598 HG LEU 70 HG LEU 70 14.058 8.166 17.895 599 1HD1 LEU 70 1HD1 LEU 70 12.473 6.724 18.641 600 2HD1 LEU 70 2HD1 LEU 70 13.550 6.032 19.855 601 3HD1 LEU 70 3HD1 LEU 70 13.624 5.467 18.185 602 1HD2 LEU 70 1HD2 LEU 70 14.414 7.674 20.627 603 2HD2 LEU 70 2HD2 LEU 70 15.013 9.073 19.736 604 3HD2 LEU 70 3HD2 LEU 70 16.050 7.666 19.968 605 H GLY 71 H GLY 71 14.995 7.338 13.890 606 1HA GLY 71 2HA GLY 71 12.642 5.622 13.942 607 2HA GLY 71 1HA GLY 71 12.233 7.330 13.783 608 H LYS 72 H LYS 72 11.399 6.211 11.651 609 HA LYS 72 HA LYS 72 12.830 7.215 9.438 610 1HB LYS 72 2HB LYS 72 13.684 4.906 8.603 611 2HB LYS 72 1HB LYS 72 14.615 5.713 9.862 612 1HG LYS 72 2HG LYS 72 14.258 4.004 11.283 613 2HG LYS 72 1HG LYS 72 12.513 4.141 11.063 614 1HD LYS 72 2HD LYS 72 12.445 2.503 9.455 615 2HD LYS 72 1HD LYS 72 14.047 2.899 8.835 616 1HE LYS 72 2HE LYS 72 14.547 2.008 11.437 617 2HE LYS 72 1HE LYS 72 13.300 0.902 10.827 618 1HZ LYS 72 1HZ LYS 72 14.605 0.719 8.755 619 2HZ LYS 72 2HZ LYS 72 15.438 0.117 10.107 620 3HZ LYS 72 3HZ LYS 72 15.838 1.639 9.468 621 H ARG 73 H ARG 73 12.203 5.647 7.362 622 HA ARG 73 HA ARG 73 9.251 5.287 7.613 623 1HB ARG 73 2HB ARG 73 11.146 6.288 5.651 624 2HB ARG 73 1HB ARG 73 10.100 5.059 4.938 625 1HG ARG 73 2HG ARG 73 8.114 6.254 5.612 626 2HG ARG 73 1HG ARG 73 9.066 7.398 6.560 627 1HD ARG 73 2HD ARG 73 10.052 7.310 3.835 628 2HD ARG 73 1HD ARG 73 8.318 7.687 3.859 629 HE ARG 73 HE ARG 73 8.904 9.446 5.606 630 1HH1 ARG 73 1HH2 ARG 73 11.816 8.568 5.775 631 2HH1 ARG 73 2HH2 ARG 73 12.591 9.790 4.823 632 1HH2 ARG 73 1HH1 ARG 73 9.649 10.878 3.346 633 2HH2 ARG 73 2HH1 ARG 73 11.364 11.098 3.448 634 HA PRO 74 HA PRO 74 10.183 0.907 7.544 635 1HB PRO 74 2HB PRO 74 7.597 0.069 7.777 636 2HB PRO 74 1HB PRO 74 8.544 0.659 9.156 637 1HG PRO 74 2HG PRO 74 6.487 2.067 7.531 638 2HG PRO 74 1HG PRO 74 6.781 2.128 9.276 639 1HD PRO 74 2HD PRO 74 7.591 4.077 7.552 640 2HD PRO 74 1HD PRO 74 8.426 3.710 9.078 641 H ASP 75 H ASP 75 8.542 -0.921 6.328 642 HA ASP 75 HA ASP 75 8.413 0.035 3.502 643 1HB ASP 75 2HB ASP 75 9.520 -2.325 4.879 644 2HB ASP 75 1HB ASP 75 8.569 -2.719 3.448 645 H ARG 76 H ARG 76 6.206 0.671 3.745 646 HA ARG 76 HA ARG 76 4.217 -1.402 4.494 647 1HB ARG 76 2HB ARG 76 4.452 1.341 4.850 648 2HB ARG 76 1HB ARG 76 3.270 1.210 3.548 649 1HG ARG 76 2HG ARG 76 3.127 -0.011 6.309 650 2HG ARG 76 1HG ARG 76 2.006 1.133 5.571 651 1HD ARG 76 2HD ARG 76 1.482 -0.638 3.830 652 2HD ARG 76 1HD ARG 76 2.417 -1.778 4.818 653 HE ARG 76 HE ARG 76 0.045 -0.281 5.872 654 1HH1 ARG 76 1HH1 ARG 76 1.940 -1.661 7.794 655 2HH1 ARG 76 2HH1 ARG 76 1.147 -3.183 8.024 656 1HH2 ARG 76 1HH2 ARG 76 -0.905 -2.834 5.255 657 2HH2 ARG 76 2HH2 ARG 76 -0.463 -3.848 6.586 658 H LYS 77 H LYS 77 2.659 -2.178 2.990 659 HA LYS 77 HA LYS 77 3.203 -1.489 0.119 660 1HB LYS 77 2HB LYS 77 4.026 -3.681 0.545 661 2HB LYS 77 1HB LYS 77 2.636 -4.090 1.551 662 1HG LYS 77 2HG LYS 77 1.167 -3.937 -0.444 663 2HG LYS 77 1HG LYS 77 2.580 -3.592 -1.441 664 1HD LYS 77 2HD LYS 77 3.370 -5.752 -1.318 665 2HD LYS 77 1HD LYS 77 2.692 -6.020 0.289 666 1HE LYS 77 2HE LYS 77 0.663 -6.717 -0.542 667 2HE LYS 77 1HE LYS 77 0.727 -5.593 -1.914 668 1HZ LYS 77 1HZ LYS 77 2.803 -7.624 -1.829 669 2HZ LYS 77 2HZ LYS 77 1.929 -7.020 -3.155 670 3HZ LYS 77 3HZ LYS 77 1.239 -8.198 -2.145 671 H LYS 78 H LYS 78 1.439 -0.686 -0.934 672 HA LYS 78 HA LYS 78 -1.246 -0.971 0.334 673 1HB LYS 78 2HB LYS 78 0.243 1.056 -1.144 674 2HB LYS 78 1HB LYS 78 -1.356 0.793 -1.842 675 1HG LYS 78 2HG LYS 78 -1.749 0.801 0.946 676 2HG LYS 78 1HG LYS 78 -0.651 2.142 0.619 677 1HD LYS 78 2HD LYS 78 -2.538 2.293 -1.433 678 2HD LYS 78 1HD LYS 78 -3.488 1.891 -0.001 679 1HE LYS 78 2HE LYS 78 -3.398 4.130 0.443 680 2HE LYS 78 1HE LYS 78 -1.729 3.814 0.955 681 1HZ LYS 78 1HZ LYS 78 -1.468 5.393 -0.707 682 2HZ LYS 78 2HZ LYS 78 -2.710 4.746 -1.669 683 3HZ LYS 78 3HZ LYS 78 -1.220 3.939 -1.544 684 H ALA 79 H ALA 79 -3.041 -1.743 -0.991 685 HA ALA 79 HA ALA 79 -2.187 -3.092 -3.534 686 1HB ALA 79 1HB ALA 79 -4.415 -4.241 -2.000 687 2HB ALA 79 2HB ALA 79 -2.851 -4.295 -1.179 688 3HB ALA 79 3HB ALA 79 -3.041 -5.048 -2.768 689 H ILE 80 H ILE 80 -3.378 -2.566 -5.276 690 HA ILE 80 HA ILE 80 -6.026 -1.259 -4.823 691 HB ILE 80 HB ILE 80 -3.892 -1.058 -6.948 692 1HG1 ILE 80 2HG1 ILE 80 -4.003 1.304 -6.389 693 2HG1 ILE 80 1HG1 ILE 80 -5.391 1.033 -5.343 694 1HG2 ILE 80 1HG2 ILE 80 -6.787 -0.179 -7.074 695 2HG2 ILE 80 2HG2 ILE 80 -5.945 -1.245 -8.198 696 3HG2 ILE 80 3HG2 ILE 80 -5.533 0.469 -8.132 697 1HD1 ILE 80 1HD1 ILE 80 -4.124 -0.003 -3.698 698 2HD1 ILE 80 2HD1 ILE 80 -2.979 1.196 -4.302 699 3HD1 ILE 80 3HD1 ILE 80 -2.858 -0.484 -4.828 700 H VAL 81 H VAL 81 -7.595 -2.770 -5.069 701 HA VAL 81 HA VAL 81 -7.254 -4.858 -7.195 702 HB VAL 81 HB VAL 81 -9.080 -4.818 -4.773 703 1HG1 VAL 81 1HG1 VAL 81 -8.414 -7.431 -5.463 704 2HG1 VAL 81 2HG1 VAL 81 -8.639 -6.632 -7.017 705 3HG1 VAL 81 3HG1 VAL 81 -9.938 -6.622 -5.825 706 1HG2 VAL 81 1HG2 VAL 81 -7.126 -6.637 -4.201 707 2HG2 VAL 81 2HG2 VAL 81 -7.112 -4.970 -3.626 708 3HG2 VAL 81 3HG2 VAL 81 -6.195 -5.414 -5.065 709 H GLN 82 H GLN 82 -8.639 -4.703 -8.942 710 HA GLN 82 HA GLN 82 -10.929 -2.803 -8.724 711 1HB GLN 82 2HB GLN 82 -9.067 -2.811 -10.545 712 2HB GLN 82 1HB GLN 82 -9.916 -4.199 -11.193 713 1HG GLN 82 2HG GLN 82 -11.178 -2.692 -12.303 714 2HG GLN 82 1HG GLN 82 -11.971 -2.446 -10.749 715 1HE2 GLN 82 1HE2 GLN 82 -12.221 -0.181 -11.945 716 2HE2 GLN 82 2HE2 GLN 82 -10.998 0.949 -11.618 717 H VAL 83 H VAL 83 -13.036 -3.551 -9.354 718 HA VAL 83 HA VAL 83 -13.204 -6.521 -9.421 719 HB VAL 83 HB VAL 83 -15.246 -6.373 -8.260 720 1HG1 VAL 83 1HG1 VAL 83 -12.981 -5.150 -7.211 721 2HG1 VAL 83 2HG1 VAL 83 -14.408 -5.628 -6.290 722 3HG1 VAL 83 3HG1 VAL 83 -14.258 -3.977 -6.893 723 1HG2 VAL 83 1HG2 VAL 83 -16.513 -4.278 -8.004 724 2HG2 VAL 83 2HG2 VAL 83 -16.256 -4.653 -9.712 725 3HG2 VAL 83 3HG2 VAL 83 -15.277 -3.410 -8.921 726 H ALA 84 H ALA 84 -14.808 -7.386 -10.882 727 HA ALA 84 HA ALA 84 -14.730 -6.260 -13.477 728 1HB ALA 84 1HB ALA 84 -15.177 -8.523 -13.344 729 2HB ALA 84 2HB ALA 84 -16.793 -7.889 -13.665 730 3HB ALA 84 3HB ALA 84 -16.326 -8.321 -12.017 731 HA PRO 85 HA PRO 85 -18.027 -3.391 -13.572 732 1HB PRO 85 2HB PRO 85 -19.063 -3.812 -16.068 733 2HB PRO 85 1HB PRO 85 -17.485 -3.067 -15.796 734 1HG PRO 85 2HG PRO 85 -18.139 -5.770 -16.696 735 2HG PRO 85 1HG PRO 85 -16.726 -4.780 -17.049 736 1HD PRO 85 2HD PRO 85 -16.831 -6.895 -15.221 737 2HD PRO 85 1HD PRO 85 -15.559 -5.670 -15.323 738 H GLY 86 H GLY 86 -18.916 -5.475 -12.038 739 1HA GLY 86 2HA GLY 86 -21.771 -5.436 -12.521 740 2HA GLY 86 1HA GLY 86 -21.088 -7.025 -12.862 741 H GLN 87 H GLN 87 -19.601 -5.073 -10.381 742 HA GLN 87 HA GLN 87 -21.111 -6.439 -8.231 743 1HB GLN 87 2HB GLN 87 -18.716 -7.074 -7.353 744 2HB GLN 87 1HB GLN 87 -19.487 -8.092 -8.564 745 1HG GLN 87 2HG GLN 87 -17.894 -5.809 -9.597 746 2HG GLN 87 1HG GLN 87 -16.977 -7.109 -8.834 747 1HE2 GLN 87 1HE2 GLN 87 -17.982 -9.430 -9.586 748 2HE2 GLN 87 2HE2 GLN 87 -18.189 -9.572 -11.264 749 H LYS 88 H LYS 88 -19.770 -5.778 -6.055 750 HA LYS 88 HA LYS 88 -18.377 -3.275 -5.994 751 1HB LYS 88 2HB LYS 88 -20.265 -1.833 -5.278 752 2HB LYS 88 1HB LYS 88 -20.538 -2.477 -6.897 753 1HG LYS 88 2HG LYS 88 -21.788 -4.404 -5.691 754 2HG LYS 88 1HG LYS 88 -21.821 -3.316 -4.303 755 1HD LYS 88 2HD LYS 88 -23.655 -2.371 -5.214 756 2HD LYS 88 1HD LYS 88 -22.598 -1.718 -6.467 757 1HE LYS 88 2HE LYS 88 -22.888 -3.998 -7.653 758 2HE LYS 88 1HE LYS 88 -24.260 -4.242 -6.553 759 1HZ LYS 88 1HZ LYS 88 -23.995 -1.652 -7.895 760 2HZ LYS 88 2HZ LYS 88 -25.397 -2.480 -7.412 761 3HZ LYS 88 3HZ LYS 88 -24.563 -2.960 -8.812 762 H ILE 89 H ILE 89 -17.237 -3.763 -4.141 763 HA ILE 89 HA ILE 89 -18.110 -5.476 -2.043 764 HB ILE 89 HB ILE 89 -16.081 -3.221 -2.160 765 1HG1 ILE 89 2HG1 ILE 89 -15.934 -6.230 -2.507 766 2HG1 ILE 89 1HG1 ILE 89 -15.570 -4.999 -3.716 767 1HG2 ILE 89 1HG2 ILE 89 -15.255 -3.858 -0.079 768 2HG2 ILE 89 2HG2 ILE 89 -15.966 -5.468 -0.175 769 3HG2 ILE 89 3HG2 ILE 89 -16.986 -4.075 0.173 770 1HD1 ILE 89 1HD1 ILE 89 -13.449 -4.837 -2.983 771 2HD1 ILE 89 2HD1 ILE 89 -13.767 -6.189 -1.897 772 3HD1 ILE 89 3HD1 ILE 89 -14.000 -4.533 -1.336 773 H GLU 90 H GLU 90 -20.114 -4.943 -1.114 774 HA GLU 90 HA GLU 90 -21.141 -2.380 -0.540 775 1HB GLU 90 2HB GLU 90 -21.409 -5.009 0.957 776 2HB GLU 90 1HB GLU 90 -22.503 -3.637 1.135 777 1HG GLU 90 2HG GLU 90 -22.059 -4.430 -1.661 778 2HG GLU 90 1HG GLU 90 -22.827 -5.682 -0.684 779 H ALA 91 H ALA 91 -18.713 -4.276 1.145 780 HA ALA 91 HA ALA 91 -18.703 -2.921 3.662 781 1HB ALA 91 1HB ALA 91 -16.771 -4.175 4.005 782 2HB ALA 91 2HB ALA 91 -16.208 -3.934 2.352 783 3HB ALA 91 3HB ALA 91 -17.509 -5.079 2.683 784 H LEU 92 H LEU 92 -17.251 -2.119 0.549 785 HA LEU 92 HA LEU 92 -16.040 0.281 1.837 786 1HB LEU 92 2HB LEU 92 -15.110 -1.648 0.013 787 2HB LEU 92 1HB LEU 92 -15.275 -0.140 -0.903 788 HG LEU 92 HG LEU 92 -14.239 0.151 1.813 789 1HD1 LEU 92 1HD1 LEU 92 -12.926 -1.604 -0.197 790 2HD1 LEU 92 2HD1 LEU 92 -12.778 -1.607 1.560 791 3HD1 LEU 92 3HD1 LEU 92 -11.877 -0.431 0.602 792 1HD2 LEU 92 1HD2 LEU 92 -13.976 1.371 -0.865 793 2HD2 LEU 92 2HD2 LEU 92 -12.521 1.434 0.131 794 3HD2 LEU 92 3HD2 LEU 92 -14.028 2.135 0.723 795 H GLU 93 H GLU 93 -18.833 -0.472 0.223 796 HA GLU 93 HA GLU 93 -18.747 1.982 -1.409 797 1HB GLU 93 2HB GLU 93 -20.790 -0.242 -1.071 798 2HB GLU 93 1HB GLU 93 -20.973 1.096 -2.205 799 1HG GLU 93 2HG GLU 93 -18.394 -0.365 -2.332 800 2HG GLU 93 1HG GLU 93 -19.814 -1.256 -2.878 801 H GLY 94 H GLY 94 -19.305 1.337 1.745 802 1HA GLY 94 2HA GLY 94 -21.453 3.411 1.961 803 2HA GLY 94 1HA GLY 94 -21.277 2.088 3.117 804 H LEU 95 H LEU 95 -18.223 2.512 2.725 805 HA LEU 95 HA LEU 95 -17.692 3.944 5.106 806 1HB LEU 95 2HB LEU 95 -16.297 2.732 2.882 807 2HB LEU 95 1HB LEU 95 -15.499 4.238 3.337 808 HG LEU 95 HG LEU 95 -15.199 3.513 5.592 809 1HD1 LEU 95 1HD1 LEU 95 -16.119 1.091 6.113 810 2HD1 LEU 95 2HD1 LEU 95 -17.263 1.475 4.827 811 3HD1 LEU 95 3HD1 LEU 95 -17.180 2.491 6.265 812 1HD2 LEU 95 1HD2 LEU 95 -13.498 2.143 5.027 813 2HD2 LEU 95 2HD2 LEU 95 -14.178 2.058 3.402 814 3HD2 LEU 95 3HD2 LEU 95 -14.622 0.850 4.607 815 H ILE 96 H ILE 96 -18.020 5.096 1.770 816 HA ILE 96 HA ILE 96 -16.961 7.715 2.067 817 HB ILE 96 HB ILE 96 -19.309 6.752 0.402 818 1HG1 ILE 96 2HG1 ILE 96 -16.660 6.908 -0.850 819 2HG1 ILE 96 1HG1 ILE 96 -16.739 5.717 0.448 820 1HG2 ILE 96 1HG2 ILE 96 -18.415 8.513 -1.183 821 2HG2 ILE 96 2HG2 ILE 96 -17.366 9.060 0.124 822 3HG2 ILE 96 3HG2 ILE 96 -19.117 9.154 0.302 823 1HD1 ILE 96 1HD1 ILE 96 -18.104 5.735 -2.183 824 2HD1 ILE 96 2HD1 ILE 96 -19.085 5.201 -0.818 825 3HD1 ILE 96 3HD1 ILE 96 -17.576 4.371 -1.196 Start of MODEL 24 1 1H MET 1 1HT MET 1 -0.795 -12.274 13.522 2 2H MET 1 2HT MET 1 -1.798 -13.431 12.786 3 3H MET 1 3HT MET 1 -2.476 -12.049 13.505 4 HA MET 1 HA MET 1 -1.097 -10.724 11.811 5 1HB MET 1 2HB MET 1 -0.111 -13.254 11.403 6 2HB MET 1 1HB MET 1 -1.307 -13.132 10.107 7 1HG MET 1 2HG MET 1 0.957 -12.347 9.414 8 2HG MET 1 1HG MET 1 -0.276 -11.094 9.277 9 1HE MET 1 1HE MET 1 3.505 -11.484 11.123 10 2HE MET 1 2HE MET 1 2.329 -12.788 10.976 11 3HE MET 1 3HE MET 1 2.576 -12.007 12.535 12 H LYS 2 H LYS 2 -2.103 -11.373 9.233 13 HA LYS 2 HA LYS 2 -4.947 -10.713 9.603 14 1HB LYS 2 2HB LYS 2 -3.327 -11.136 7.058 15 2HB LYS 2 1HB LYS 2 -4.814 -10.202 7.233 16 1HG LYS 2 2HG LYS 2 -3.510 -8.393 7.571 17 2HG LYS 2 1HG LYS 2 -3.101 -9.093 9.137 18 1HD LYS 2 2HD LYS 2 -1.437 -10.493 7.470 19 2HD LYS 2 1HD LYS 2 -1.483 -8.918 6.677 20 1HE LYS 2 2HE LYS 2 -1.124 -8.961 9.651 21 2HE LYS 2 1HE LYS 2 0.264 -9.389 8.633 22 1HZ LYS 2 1HZ LYS 2 0.501 -7.181 8.417 23 2HZ LYS 2 2HZ LYS 2 -1.085 -6.849 8.924 24 3HZ LYS 2 3HZ LYS 2 -0.782 -7.294 7.313 25 H THR 3 H THR 3 -6.292 -12.471 9.929 26 HA THR 3 HA THR 3 -6.006 -15.176 9.590 27 HB THR 3 HB THR 3 -8.065 -13.780 10.227 28 HG1 THR 3 1HG THR 3 -9.477 -15.479 9.259 29 1HG2 THR 3 1HG2 THR 3 -8.263 -12.453 8.201 30 2HG2 THR 3 2HG2 THR 3 -9.704 -13.454 8.366 31 3HG2 THR 3 3HG2 THR 3 -8.437 -13.913 7.226 32 H ALA 4 H ALA 4 -6.464 -12.761 7.146 33 HA ALA 4 HA ALA 4 -6.792 -14.314 4.777 34 1HB ALA 4 1HB ALA 4 -5.784 -11.644 5.680 35 2HB ALA 4 2HB ALA 4 -7.102 -12.008 4.558 36 3HB ALA 4 3HB ALA 4 -5.423 -12.128 4.023 37 H TYR 5 H TYR 5 -5.100 -16.008 5.894 38 HA TYR 5 HA TYR 5 -2.839 -16.745 6.178 39 1HB TYR 5 2HB TYR 5 -1.820 -17.021 3.864 40 2HB TYR 5 1HB TYR 5 -3.448 -17.655 4.037 41 HD1 TYR 5 1HD TYR 5 -1.348 -15.820 1.950 42 HD2 TYR 5 2HD TYR 5 -5.356 -15.797 3.492 43 HE1 TYR 5 1HE TYR 5 -2.088 -14.449 0.017 44 HE2 TYR 5 2HE TYR 5 -6.088 -14.409 1.581 45 HH TYR 5 HH TYR 5 -3.923 -12.854 -0.503 46 H ASP 6 H ASP 6 -3.085 -14.283 7.106 47 HA ASP 6 HA ASP 6 -2.060 -12.271 7.612 48 1HB ASP 6 2HB ASP 6 0.445 -12.503 7.697 49 2HB ASP 6 1HB ASP 6 -0.476 -13.743 8.547 50 H VAL 7 H VAL 7 -3.167 -11.660 5.398 51 HA VAL 7 HA VAL 7 -1.060 -10.443 3.645 52 HB VAL 7 HB VAL 7 -3.801 -11.407 2.811 53 1HG1 VAL 7 1HG1 VAL 7 -2.938 -11.208 0.587 54 2HG1 VAL 7 2HG1 VAL 7 -1.291 -10.983 1.177 55 3HG1 VAL 7 3HG1 VAL 7 -2.497 -9.718 1.425 56 1HG2 VAL 7 1HG2 VAL 7 -1.576 -13.052 1.933 57 2HG2 VAL 7 2HG2 VAL 7 -3.092 -13.513 2.709 58 3HG2 VAL 7 3HG2 VAL 7 -1.718 -13.029 3.691 59 H ILE 8 H ILE 8 -4.066 -9.661 2.491 60 HA ILE 8 HA ILE 8 -3.954 -6.909 3.196 61 HB ILE 8 HB ILE 8 -6.362 -8.569 2.369 62 1HG1 ILE 8 2HG1 ILE 8 -4.836 -7.321 0.212 63 2HG1 ILE 8 1HG1 ILE 8 -3.905 -8.556 1.059 64 1HG2 ILE 8 1HG2 ILE 8 -6.194 -5.893 2.891 65 2HG2 ILE 8 2HG2 ILE 8 -7.303 -6.584 1.707 66 3HG2 ILE 8 3HG2 ILE 8 -5.758 -5.911 1.178 67 1HD1 ILE 8 1HD1 ILE 8 -5.036 -10.002 -0.296 68 2HD1 ILE 8 2HD1 ILE 8 -6.319 -8.839 -0.625 69 3HD1 ILE 8 3HD1 ILE 8 -6.340 -9.776 0.865 70 H LEU 9 H LEU 9 -5.437 -5.727 4.628 71 HA LEU 9 HA LEU 9 -6.919 -7.362 6.623 72 1HB LEU 9 2HB LEU 9 -5.774 -5.720 8.358 73 2HB LEU 9 1HB LEU 9 -4.942 -7.179 7.830 74 HG LEU 9 HG LEU 9 -4.398 -5.011 5.991 75 1HD1 LEU 9 1HD1 LEU 9 -4.087 -3.256 7.361 76 2HD1 LEU 9 2HD1 LEU 9 -2.937 -4.206 8.303 77 3HD1 LEU 9 3HD1 LEU 9 -4.649 -4.218 8.728 78 1HD2 LEU 9 1HD2 LEU 9 -3.060 -7.081 6.319 79 2HD2 LEU 9 2HD2 LEU 9 -2.636 -6.529 7.938 80 3HD2 LEU 9 3HD2 LEU 9 -2.085 -5.627 6.526 81 H ALA 10 H ALA 10 -5.989 -3.932 6.819 82 HA ALA 10 HA ALA 10 -8.898 -3.251 6.655 83 1HB ALA 10 1HB ALA 10 -7.701 -2.753 8.755 84 2HB ALA 10 2HB ALA 10 -8.192 -1.260 7.957 85 3HB ALA 10 3HB ALA 10 -6.517 -1.801 7.860 86 HA PRO 11 HA PRO 11 -8.070 -1.105 2.895 87 1HB PRO 11 2HB PRO 11 -10.284 0.500 2.857 88 2HB PRO 11 1HB PRO 11 -10.346 -1.238 2.503 89 1HG PRO 11 2HG PRO 11 -11.084 0.214 4.987 90 2HG PRO 11 1HG PRO 11 -11.836 -1.203 4.240 91 1HD PRO 11 2HD PRO 11 -10.154 -1.309 6.407 92 2HD PRO 11 1HD PRO 11 -10.419 -2.656 5.278 93 H VAL 12 H VAL 12 -7.878 1.252 2.120 94 HA VAL 12 HA VAL 12 -6.955 2.984 4.391 95 HB VAL 12 HB VAL 12 -5.226 3.727 2.948 96 1HG1 VAL 12 1HG1 VAL 12 -5.421 0.964 1.833 97 2HG1 VAL 12 2HG1 VAL 12 -5.351 1.137 3.586 98 3HG1 VAL 12 3HG1 VAL 12 -4.048 1.776 2.586 99 1HG2 VAL 12 1HG2 VAL 12 -5.225 3.360 0.528 100 2HG2 VAL 12 2HG2 VAL 12 -6.725 4.161 1.003 101 3HG2 VAL 12 3HG2 VAL 12 -6.722 2.433 0.647 102 H LEU 13 H LEU 13 -7.868 5.031 4.530 103 HA LEU 13 HA LEU 13 -9.884 5.739 2.447 104 1HB LEU 13 2HB LEU 13 -9.416 6.516 5.334 105 2HB LEU 13 1HB LEU 13 -10.602 7.331 4.316 106 HG LEU 13 HG LEU 13 -11.798 5.611 5.473 107 1HD1 LEU 13 1HD1 LEU 13 -11.775 5.769 2.770 108 2HD1 LEU 13 2HD1 LEU 13 -12.814 4.651 3.655 109 3HD1 LEU 13 3HD1 LEU 13 -11.288 4.085 2.973 110 1HD2 LEU 13 1HD2 LEU 13 -10.185 3.347 4.469 111 2HD2 LEU 13 2HD2 LEU 13 -10.910 3.593 6.057 112 3HD2 LEU 13 3HD2 LEU 13 -9.369 4.355 5.664 113 H SER 14 H SER 14 -8.983 7.020 0.896 114 HA SER 14 HA SER 14 -7.833 9.605 1.646 115 1HB SER 14 2HB SER 14 -5.981 8.079 -0.070 116 2HB SER 14 1HB SER 14 -5.629 9.124 1.303 117 HG SER 14 HG SER 14 -5.286 6.719 1.475 118 H GLU 15 H GLU 15 -7.950 11.050 -0.134 119 HA GLU 15 HA GLU 15 -9.805 10.729 -2.155 120 1HB GLU 15 2HB GLU 15 -7.219 12.257 -1.926 121 2HB GLU 15 1HB GLU 15 -8.186 12.383 -3.397 122 1HG GLU 15 2HG GLU 15 -9.777 12.629 -0.941 123 2HG GLU 15 1HG GLU 15 -8.563 13.897 -1.117 124 H LYS 16 H LYS 16 -6.454 9.583 -2.156 125 HA LYS 16 HA LYS 16 -6.352 8.815 -4.930 126 1HB LYS 16 2HB LYS 16 -4.552 9.139 -2.995 127 2HB LYS 16 1HB LYS 16 -4.815 7.408 -2.776 128 1HG LYS 16 2HG LYS 16 -3.628 6.917 -4.627 129 2HG LYS 16 1HG LYS 16 -4.549 8.073 -5.591 130 1HD LYS 16 2HD LYS 16 -2.957 9.679 -5.400 131 2HD LYS 16 1HD LYS 16 -2.682 9.328 -3.693 132 1HE LYS 16 2HE LYS 16 -0.827 8.136 -4.203 133 2HE LYS 16 1HE LYS 16 -1.755 7.114 -5.320 134 1HZ LYS 16 1HZ LYS 16 -0.169 8.304 -6.613 135 2HZ LYS 16 2HZ LYS 16 -0.576 9.782 -5.879 136 3HZ LYS 16 3HZ LYS 16 -1.682 9.011 -6.914 137 H ALA 17 H ALA 17 -7.577 7.282 -2.018 138 HA ALA 17 HA ALA 17 -7.918 4.666 -3.366 139 1HB ALA 17 1HB ALA 17 -9.045 4.348 -0.963 140 2HB ALA 17 2HB ALA 17 -8.135 5.816 -0.611 141 3HB ALA 17 3HB ALA 17 -7.291 4.365 -1.151 142 H TYR 18 H TYR 18 -9.444 7.325 -3.956 143 HA TYR 18 HA TYR 18 -12.151 6.060 -3.965 144 1HB TYR 18 2HB TYR 18 -11.193 8.533 -2.643 145 2HB TYR 18 1HB TYR 18 -12.714 8.693 -3.524 146 HD1 TYR 18 1HD TYR 18 -11.414 7.971 -0.387 147 HD2 TYR 18 2HD TYR 18 -14.279 6.468 -3.215 148 HE1 TYR 18 1HE TYR 18 -12.611 6.804 1.445 149 HE2 TYR 18 2HE TYR 18 -15.475 5.300 -1.380 150 HH TYR 18 HH TYR 18 -14.190 4.676 1.545 151 H ALA 19 H ALA 19 -10.064 8.676 -5.214 152 HA ALA 19 HA ALA 19 -11.721 9.399 -7.444 153 1HB ALA 19 1HB ALA 19 -10.063 10.956 -7.123 154 2HB ALA 19 2HB ALA 19 -9.155 9.930 -8.233 155 3HB ALA 19 3HB ALA 19 -8.934 9.759 -6.493 156 H GLY 20 H GLY 20 -9.249 6.936 -6.941 157 1HA GLY 20 2HA GLY 20 -9.533 5.963 -9.735 158 2HA GLY 20 1HA GLY 20 -8.329 5.403 -8.568 159 H PHE 21 H PHE 21 -10.267 5.246 -6.412 160 HA PHE 21 HA PHE 21 -11.224 2.537 -6.802 161 1HB PHE 21 2HB PHE 21 -10.692 2.976 -4.601 162 2HB PHE 21 1HB PHE 21 -11.105 4.675 -4.743 163 HD1 PHE 21 1HD PHE 21 -12.130 1.512 -3.474 164 HD2 PHE 21 2HD PHE 21 -13.651 5.245 -4.952 165 HE1 PHE 21 1HE PHE 21 -14.290 1.087 -2.330 166 HE2 PHE 21 2HE PHE 21 -15.810 4.819 -3.812 167 HZ PHE 21 HZ PHE 21 -16.130 2.739 -2.500 168 H ALA 22 H ALA 22 -12.399 5.604 -7.650 169 HA ALA 22 HA ALA 22 -15.195 5.292 -7.277 170 1HB ALA 22 1HB ALA 22 -14.372 6.866 -9.585 171 2HB ALA 22 2HB ALA 22 -13.360 7.182 -8.175 172 3HB ALA 22 3HB ALA 22 -15.108 7.405 -8.076 173 H GLU 23 H GLU 23 -13.053 3.663 -9.326 174 HA GLU 23 HA GLU 23 -15.166 3.088 -11.366 175 1HB GLU 23 2HB GLU 23 -12.426 3.745 -11.462 176 2HB GLU 23 1HB GLU 23 -12.515 2.040 -11.894 177 1HG GLU 23 2HG GLU 23 -14.362 4.083 -13.132 178 2HG GLU 23 1HG GLU 23 -12.773 3.734 -13.815 179 H GLY 24 H GLY 24 -13.902 1.794 -8.557 180 1HA GLY 24 2HA GLY 24 -14.946 -0.386 -7.891 181 2HA GLY 24 1HA GLY 24 -14.439 -0.966 -9.471 182 H LYS 25 H LYS 25 -12.084 1.093 -8.383 183 HA LYS 25 HA LYS 25 -10.255 -1.131 -7.780 184 1HB LYS 25 2HB LYS 25 -10.061 1.877 -8.082 185 2HB LYS 25 1HB LYS 25 -8.666 0.900 -7.628 186 1HG LYS 25 2HG LYS 25 -9.395 -0.544 -9.717 187 2HG LYS 25 1HG LYS 25 -10.187 0.951 -10.210 188 1HD LYS 25 2HD LYS 25 -8.190 2.092 -10.457 189 2HD LYS 25 1HD LYS 25 -7.357 1.103 -9.258 190 1HE LYS 25 2HE LYS 25 -7.721 -0.838 -10.999 191 2HE LYS 25 1HE LYS 25 -7.894 0.499 -12.154 192 1HZ LYS 25 1HZ LYS 25 -5.627 0.264 -12.117 193 2HZ LYS 25 2HZ LYS 25 -5.584 -0.232 -10.493 194 3HZ LYS 25 3HZ LYS 25 -5.826 1.405 -10.877 195 H TYR 26 H TYR 26 -9.653 -1.730 -5.685 196 HA TYR 26 HA TYR 26 -10.447 0.141 -3.482 197 1HB TYR 26 2HB TYR 26 -10.566 -2.888 -3.520 198 2HB TYR 26 1HB TYR 26 -11.136 -1.837 -2.224 199 HD1 TYR 26 1HD TYR 26 -12.030 -3.507 -5.250 200 HD2 TYR 26 2HD TYR 26 -12.919 -0.052 -2.861 201 HE1 TYR 26 1HE TYR 26 -14.229 -3.290 -6.377 202 HE2 TYR 26 2HE TYR 26 -15.116 0.165 -3.991 203 HH TYR 26 HH TYR 26 -16.655 -1.045 -5.259 204 H THR 27 H THR 27 -8.574 0.891 -2.639 205 HA THR 27 HA THR 27 -6.082 -0.603 -2.614 206 HB THR 27 HB THR 27 -6.801 1.940 -1.150 207 HG1 THR 27 1HG THR 27 -7.308 2.625 -3.069 208 1HG2 THR 27 1HG2 THR 27 -4.608 1.855 -0.658 209 2HG2 THR 27 2HG2 THR 27 -4.281 2.083 -2.375 210 3HG2 THR 27 3HG2 THR 27 -4.376 0.456 -1.705 211 H PHE 28 H PHE 28 -5.440 -1.939 -0.999 212 HA PHE 28 HA PHE 28 -6.839 -1.760 1.649 213 1HB PHE 28 2HB PHE 28 -5.782 -4.189 0.171 214 2HB PHE 28 1HB PHE 28 -6.652 -4.194 1.696 215 HD1 PHE 28 1HD PHE 28 -8.660 -2.009 1.023 216 HD2 PHE 28 2HD PHE 28 -7.310 -5.461 -1.147 217 HE1 PHE 28 1HE PHE 28 -10.821 -2.088 -0.191 218 HE2 PHE 28 2HE PHE 28 -9.474 -5.537 -2.365 219 HZ PHE 28 HZ PHE 28 -11.227 -3.854 -1.884 220 H TRP 29 H TRP 29 -5.443 -2.663 3.445 221 HA TRP 29 HA TRP 29 -2.603 -1.883 3.027 222 1HB TRP 29 2HB TRP 29 -4.497 -2.236 5.340 223 2HB TRP 29 1HB TRP 29 -2.763 -2.332 5.642 224 HD1 TRP 29 HD TRP 29 -5.181 0.099 6.110 225 HE1 TRP 29 1HE TRP 29 -4.379 2.499 5.617 226 HE3 TRP 29 3HE TRP 29 -1.005 -0.915 3.347 227 HZ2 TRP 29 2HZ TRP 29 -2.248 3.815 4.234 228 HZ3 TRP 29 3HZ TRP 29 0.393 0.930 2.456 229 HH2 TRP 29 HH TRP 29 -0.225 3.290 2.896 230 H VAL 30 H VAL 30 -1.186 -3.569 2.614 231 HA VAL 30 HA VAL 30 -1.901 -6.228 3.742 232 HB VAL 30 HB VAL 30 -2.596 -5.874 1.385 233 1HG1 VAL 30 1HG1 VAL 30 -0.650 -5.947 -0.287 234 2HG1 VAL 30 2HG1 VAL 30 0.374 -5.457 1.062 235 3HG1 VAL 30 3HG1 VAL 30 -0.931 -4.405 0.517 236 1HG2 VAL 30 1HG2 VAL 30 -2.129 -8.073 2.212 237 2HG2 VAL 30 2HG2 VAL 30 -0.411 -7.865 1.883 238 3HG2 VAL 30 3HG2 VAL 30 -1.566 -7.940 0.552 239 H HIS 31 H HIS 31 -0.108 -7.723 3.698 240 HA HIS 31 HA HIS 31 2.277 -6.699 4.891 241 1HB HIS 31 2HB HIS 31 1.124 -9.239 3.995 242 2HB HIS 31 1HB HIS 31 2.880 -9.207 3.848 243 HD1 HIS 31 1HD HIS 31 2.382 -11.064 5.917 244 HD2 HIS 31 2HD HIS 31 2.025 -7.002 6.783 245 HE1 HIS 31 1HE HIS 31 2.542 -10.851 8.436 246 HA PRO 32 HA PRO 32 4.559 -5.447 1.336 247 1HB PRO 32 2HB PRO 32 7.073 -5.580 2.407 248 2HB PRO 32 1HB PRO 32 5.916 -4.300 2.805 249 1HG PRO 32 2HG PRO 32 6.629 -6.739 4.350 250 2HG PRO 32 1HG PRO 32 6.317 -5.093 4.924 251 1HD PRO 32 2HD PRO 32 4.486 -7.099 5.084 252 2HD PRO 32 1HD PRO 32 4.042 -5.385 4.928 253 H LYS 33 H LYS 33 3.831 -7.735 0.528 254 HA LYS 33 HA LYS 33 6.081 -9.103 -0.615 255 1HB LYS 33 2HB LYS 33 5.672 -11.225 0.827 256 2HB LYS 33 1HB LYS 33 6.571 -9.900 1.568 257 1HG LYS 33 2HG LYS 33 5.018 -9.754 3.192 258 2HG LYS 33 1HG LYS 33 3.785 -9.407 1.990 259 1HD LYS 33 2HD LYS 33 4.713 -12.209 2.673 260 2HD LYS 33 1HD LYS 33 3.301 -11.440 3.401 261 1HE LYS 33 2HE LYS 33 2.250 -11.197 1.200 262 2HE LYS 33 1HE LYS 33 3.688 -11.883 0.419 263 1HZ LYS 33 1HZ LYS 33 1.829 -13.203 2.309 264 2HZ LYS 33 2HZ LYS 33 3.385 -13.815 2.007 265 3HZ LYS 33 3HZ LYS 33 2.255 -13.698 0.744 266 H ALA 34 H ALA 34 2.724 -9.252 0.476 267 HA ALA 34 HA ALA 34 1.777 -11.430 -1.035 268 1HB ALA 34 1HB ALA 34 0.504 -10.239 0.682 269 2HB ALA 34 2HB ALA 34 -0.402 -10.218 -0.831 270 3HB ALA 34 3HB ALA 34 0.482 -8.783 -0.312 271 H THR 35 H THR 35 2.649 -11.496 -3.169 272 HA THR 35 HA THR 35 3.003 -9.463 -5.031 273 HB THR 35 HB THR 35 2.226 -11.402 -6.654 274 HG1 THR 35 1HG THR 35 2.068 -13.357 -5.615 275 1HG2 THR 35 1HG2 THR 35 4.598 -10.695 -5.638 276 2HG2 THR 35 2HG2 THR 35 4.401 -12.154 -6.610 277 3HG2 THR 35 3HG2 THR 35 4.438 -12.265 -4.850 278 H LYS 36 H LYS 36 1.597 -8.713 -6.819 279 HA LYS 36 HA LYS 36 -0.859 -7.621 -6.091 280 1HB LYS 36 2HB LYS 36 0.539 -8.365 -8.608 281 2HB LYS 36 1HB LYS 36 -1.183 -8.009 -8.756 282 1HG LYS 36 2HG LYS 36 -0.689 -5.893 -7.375 283 2HG LYS 36 1HG LYS 36 1.011 -6.211 -7.719 284 1HD LYS 36 2HD LYS 36 0.551 -6.164 -10.133 285 2HD LYS 36 1HD LYS 36 -1.161 -5.887 -9.811 286 1HE LYS 36 2HE LYS 36 -0.693 -3.662 -9.837 287 2HE LYS 36 1HE LYS 36 0.192 -3.913 -8.319 288 1HZ LYS 36 1HZ LYS 36 1.972 -4.862 -9.995 289 2HZ LYS 36 2HZ LYS 36 1.904 -3.206 -9.618 290 3HZ LYS 36 3HZ LYS 36 1.211 -3.781 -11.059 291 H THR 37 H THR 37 -0.270 -10.828 -7.544 292 HA THR 37 HA THR 37 -3.082 -11.514 -7.730 293 HB THR 37 HB THR 37 -0.469 -12.924 -7.958 294 HG1 THR 37 1HG THR 37 -0.996 -11.806 -9.746 295 1HG2 THR 37 1HG2 THR 37 -3.086 -14.116 -7.453 296 2HG2 THR 37 2HG2 THR 37 -1.490 -14.865 -7.410 297 3HG2 THR 37 3HG2 THR 37 -2.345 -14.699 -8.944 298 H GLU 38 H GLU 38 -0.487 -12.206 -5.391 299 HA GLU 38 HA GLU 38 -1.811 -14.100 -3.765 300 1HB GLU 38 2HB GLU 38 0.372 -12.117 -3.552 301 2HB GLU 38 1HB GLU 38 -0.342 -12.587 -2.009 302 1HG GLU 38 2HG GLU 38 -0.127 -15.026 -3.075 303 2HG GLU 38 1HG GLU 38 1.170 -14.244 -3.981 304 H ILE 39 H ILE 39 -1.909 -10.532 -3.612 305 HA ILE 39 HA ILE 39 -3.533 -10.242 -1.308 306 HB ILE 39 HB ILE 39 -3.030 -8.688 -3.842 307 1HG1 ILE 39 2HG1 ILE 39 -2.567 -7.781 -1.014 308 2HG1 ILE 39 1HG1 ILE 39 -1.466 -8.946 -1.747 309 1HG2 ILE 39 1HG2 ILE 39 -5.334 -8.377 -2.123 310 2HG2 ILE 39 2HG2 ILE 39 -4.905 -7.471 -3.572 311 3HG2 ILE 39 3HG2 ILE 39 -4.293 -6.960 -1.999 312 1HD1 ILE 39 1HD1 ILE 39 -0.502 -7.364 -3.035 313 2HD1 ILE 39 2HD1 ILE 39 -1.342 -6.178 -2.036 314 3HD1 ILE 39 3HD1 ILE 39 -2.066 -6.729 -3.547 315 H LYS 40 H LYS 40 -4.345 -11.075 -4.621 316 HA LYS 40 HA LYS 40 -7.128 -10.592 -4.696 317 1HB LYS 40 2HB LYS 40 -5.541 -11.284 -6.522 318 2HB LYS 40 1HB LYS 40 -5.574 -12.916 -5.864 319 1HG LYS 40 2HG LYS 40 -7.832 -13.236 -6.415 320 2HG LYS 40 1HG LYS 40 -8.141 -11.506 -6.553 321 1HD LYS 40 2HD LYS 40 -6.958 -11.356 -8.617 322 2HD LYS 40 1HD LYS 40 -6.241 -12.953 -8.405 323 1HE LYS 40 2HE LYS 40 -9.235 -12.519 -8.664 324 2HE LYS 40 1HE LYS 40 -8.181 -12.900 -10.042 325 1HZ LYS 40 1HZ LYS 40 -8.638 -15.005 -9.357 326 2HZ LYS 40 2HZ LYS 40 -8.898 -14.555 -7.739 327 3HZ LYS 40 3HZ LYS 40 -7.315 -14.701 -8.339 328 H ASN 41 H ASN 41 -5.372 -13.460 -3.543 329 HA ASN 41 HA ASN 41 -7.559 -15.187 -3.094 330 1HB ASN 41 2HB ASN 41 -4.784 -14.824 -2.071 331 2HB ASN 41 1HB ASN 41 -5.824 -15.954 -1.203 332 1HD2 ASN 41 1HD2 ASN 41 -4.479 -15.248 -4.446 333 2HD2 ASN 41 2HD2 ASN 41 -4.654 -16.829 -5.036 334 H ALA 42 H ALA 42 -6.046 -12.966 -0.685 335 HA ALA 42 HA ALA 42 -7.964 -13.660 1.374 336 1HB ALA 42 1HB ALA 42 -5.613 -11.981 0.984 337 2HB ALA 42 2HB ALA 42 -6.186 -12.783 2.448 338 3HB ALA 42 3HB ALA 42 -6.818 -11.196 2.008 339 H VAL 43 H VAL 43 -7.730 -10.924 -0.917 340 HA VAL 43 HA VAL 43 -9.850 -9.378 0.208 341 HB VAL 43 HB VAL 43 -8.034 -9.271 -1.934 342 1HG1 VAL 43 1HG1 VAL 43 -10.893 -9.037 -2.922 343 2HG1 VAL 43 2HG1 VAL 43 -9.685 -10.198 -3.476 344 3HG1 VAL 43 3HG1 VAL 43 -9.475 -8.479 -3.812 345 1HG2 VAL 43 1HG2 VAL 43 -9.176 -7.551 -0.229 346 2HG2 VAL 43 2HG2 VAL 43 -10.130 -7.171 -1.663 347 3HG2 VAL 43 3HG2 VAL 43 -8.374 -7.010 -1.702 348 H GLU 44 H GLU 44 -9.918 -11.854 -2.380 349 HA GLU 44 HA GLU 44 -12.664 -11.682 -3.039 350 1HB GLU 44 2HB GLU 44 -10.410 -13.367 -3.500 351 2HB GLU 44 1HB GLU 44 -11.758 -14.410 -3.043 352 1HG GLU 44 2HG GLU 44 -12.370 -12.224 -4.965 353 2HG GLU 44 1HG GLU 44 -11.385 -13.554 -5.575 354 H THR 45 H THR 45 -11.048 -13.457 -0.412 355 HA THR 45 HA THR 45 -13.525 -14.688 0.547 356 HB THR 45 HB THR 45 -12.044 -15.536 2.286 357 HG1 THR 45 1HG THR 45 -9.856 -14.696 2.292 358 1HG2 THR 45 1HG2 THR 45 -10.692 -15.334 -0.415 359 2HG2 THR 45 2HG2 THR 45 -11.780 -16.610 0.130 360 3HG2 THR 45 3HG2 THR 45 -10.185 -16.437 0.864 361 H ALA 46 H ALA 46 -11.388 -12.044 1.641 362 HA ALA 46 HA ALA 46 -12.960 -11.331 3.949 363 1HB ALA 46 1HB ALA 46 -11.038 -9.699 2.258 364 2HB ALA 46 2HB ALA 46 -10.558 -10.804 3.546 365 3HB ALA 46 3HB ALA 46 -11.495 -9.359 3.928 366 H PHE 47 H PHE 47 -12.565 -9.547 0.851 367 HA PHE 47 HA PHE 47 -14.848 -7.838 1.354 368 1HB PHE 47 2HB PHE 47 -13.040 -8.485 -0.968 369 2HB PHE 47 1HB PHE 47 -14.417 -7.401 -1.179 370 HD1 PHE 47 1HD PHE 47 -14.605 -5.340 0.263 371 HD2 PHE 47 2HD PHE 47 -11.064 -7.767 0.154 372 HE1 PHE 47 1HE PHE 47 -13.304 -3.487 1.275 373 HE2 PHE 47 2HE PHE 47 -9.762 -5.914 1.164 374 HZ PHE 47 HZ PHE 47 -10.882 -3.774 1.726 375 H LYS 48 H LYS 48 -14.446 -10.993 -0.029 376 HA LYS 48 HA LYS 48 -15.991 -12.501 -0.961 377 1HB LYS 48 2HB LYS 48 -17.315 -10.808 1.024 378 2HB LYS 48 1HB LYS 48 -18.447 -11.449 -0.168 379 1HG LYS 48 2HG LYS 48 -16.681 -13.567 0.519 380 2HG LYS 48 1HG LYS 48 -17.205 -12.820 2.029 381 1HD LYS 48 2HD LYS 48 -19.154 -13.930 1.828 382 2HD LYS 48 1HD LYS 48 -19.507 -12.944 0.407 383 1HE LYS 48 2HE LYS 48 -19.063 -14.660 -1.031 384 2HE LYS 48 1HE LYS 48 -17.640 -15.180 -0.106 385 1HZ LYS 48 1HZ LYS 48 -19.261 -16.846 0.220 386 2HZ LYS 48 2HZ LYS 48 -20.495 -15.711 0.498 387 3HZ LYS 48 3HZ LYS 48 -19.261 -15.929 1.647 388 H VAL 49 H VAL 49 -15.130 -10.384 -2.647 389 HA VAL 49 HA VAL 49 -17.600 -9.889 -4.261 390 HB VAL 49 HB VAL 49 -15.912 -8.089 -3.045 391 1HG1 VAL 49 1HG1 VAL 49 -14.369 -7.164 -4.498 392 2HG1 VAL 49 2HG1 VAL 49 -15.178 -7.802 -5.927 393 3HG1 VAL 49 3HG1 VAL 49 -14.222 -8.874 -4.903 394 1HG2 VAL 49 1HG2 VAL 49 -17.023 -6.425 -4.461 395 2HG2 VAL 49 2HG2 VAL 49 -18.150 -7.669 -3.919 396 3HG2 VAL 49 3HG2 VAL 49 -17.520 -7.707 -5.566 397 H LYS 50 H LYS 50 -16.358 -9.066 -6.584 398 HA LYS 50 HA LYS 50 -14.955 -11.563 -7.456 399 1HB LYS 50 2HB LYS 50 -17.222 -10.464 -8.413 400 2HB LYS 50 1HB LYS 50 -16.055 -9.566 -9.389 401 1HG LYS 50 2HG LYS 50 -15.752 -12.540 -9.113 402 2HG LYS 50 1HG LYS 50 -16.950 -11.896 -10.239 403 1HD LYS 50 2HD LYS 50 -14.967 -10.364 -11.033 404 2HD LYS 50 1HD LYS 50 -13.961 -11.604 -10.286 405 1HE LYS 50 2HE LYS 50 -14.548 -13.213 -11.844 406 2HE LYS 50 1HE LYS 50 -16.157 -12.511 -12.111 407 1HZ LYS 50 1HZ LYS 50 -13.544 -11.557 -13.115 408 2HZ LYS 50 2HZ LYS 50 -14.874 -10.507 -12.997 409 3HZ LYS 50 3HZ LYS 50 -14.959 -11.880 -13.993 410 H VAL 51 H VAL 51 -12.757 -11.218 -7.457 411 HA VAL 51 HA VAL 51 -11.625 -8.545 -7.741 412 HB VAL 51 HB VAL 51 -10.592 -11.372 -7.505 413 1HG1 VAL 51 1HG1 VAL 51 -8.722 -10.689 -8.601 414 2HG1 VAL 51 2HG1 VAL 51 -8.391 -9.734 -7.155 415 3HG1 VAL 51 3HG1 VAL 51 -9.202 -8.994 -8.535 416 1HG2 VAL 51 1HG2 VAL 51 -10.859 -10.797 -5.329 417 2HG2 VAL 51 2HG2 VAL 51 -11.161 -9.109 -5.744 418 3HG2 VAL 51 3HG2 VAL 51 -9.505 -9.688 -5.551 419 H VAL 52 H VAL 52 -10.860 -7.629 -9.601 420 HA VAL 52 HA VAL 52 -10.846 -9.297 -12.080 421 HB VAL 52 HB VAL 52 -12.139 -6.758 -11.302 422 1HG1 VAL 52 1HG1 VAL 52 -11.039 -7.339 -14.040 423 2HG1 VAL 52 2HG1 VAL 52 -10.926 -5.842 -13.107 424 3HG1 VAL 52 3HG1 VAL 52 -12.472 -6.331 -13.817 425 1HG2 VAL 52 1HG2 VAL 52 -13.854 -7.780 -12.922 426 2HG2 VAL 52 2HG2 VAL 52 -13.562 -8.626 -11.401 427 3HG2 VAL 52 3HG2 VAL 52 -12.825 -9.210 -12.891 428 H LYS 53 H LYS 53 -9.064 -7.333 -10.021 429 HA LYS 53 HA LYS 53 -6.657 -7.408 -11.451 430 1HB LYS 53 2HB LYS 53 -6.943 -5.916 -13.121 431 2HB LYS 53 1HB LYS 53 -8.594 -5.630 -12.587 432 1HG LYS 53 2HG LYS 53 -8.001 -3.756 -11.330 433 2HG LYS 53 1HG LYS 53 -6.311 -4.245 -11.200 434 1HD LYS 53 2HD LYS 53 -6.549 -2.375 -12.781 435 2HD LYS 53 1HD LYS 53 -6.014 -3.832 -13.619 436 1HE LYS 53 2HE LYS 53 -8.717 -4.130 -13.815 437 2HE LYS 53 1HE LYS 53 -8.575 -2.362 -13.861 438 1HZ LYS 53 1HZ LYS 53 -6.535 -2.993 -15.392 439 2HZ LYS 53 2HZ LYS 53 -8.100 -2.806 -16.026 440 3HZ LYS 53 3HZ LYS 53 -7.491 -4.358 -15.702 441 H VAL 54 H VAL 54 -5.184 -7.017 -9.869 442 HA VAL 54 HA VAL 54 -5.976 -5.180 -7.636 443 HB VAL 54 HB VAL 54 -4.926 -7.900 -7.809 444 1HG1 VAL 54 1HG1 VAL 54 -2.752 -7.147 -7.270 445 2HG1 VAL 54 2HG1 VAL 54 -3.457 -7.519 -5.696 446 3HG1 VAL 54 3HG1 VAL 54 -3.361 -5.846 -6.246 447 1HG2 VAL 54 1HG2 VAL 54 -6.803 -6.494 -6.362 448 2HG2 VAL 54 2HG2 VAL 54 -5.525 -6.750 -5.175 449 3HG2 VAL 54 3HG2 VAL 54 -6.260 -8.130 -5.992 450 H ASN 55 H ASN 55 -4.651 -3.450 -7.244 451 HA ASN 55 HA ASN 55 -1.913 -3.474 -8.428 452 1HB ASN 55 2HB ASN 55 -4.217 -1.797 -9.018 453 2HB ASN 55 1HB ASN 55 -2.850 -0.825 -8.472 454 1HD2 ASN 55 1HD2 ASN 55 -1.762 -0.084 -10.303 455 2HD2 ASN 55 2HD2 ASN 55 -1.392 -1.031 -11.662 456 H THR 56 H THR 56 -0.533 -3.346 -6.717 457 HA THR 56 HA THR 56 -1.388 -1.691 -4.380 458 HB THR 56 HB THR 56 -0.935 -3.532 -3.143 459 HG1 THR 56 1HG THR 56 1.617 -3.514 -4.369 460 1HG2 THR 56 1HG2 THR 56 -1.567 -4.879 -5.088 461 2HG2 THR 56 2HG2 THR 56 -0.250 -5.659 -4.213 462 3HG2 THR 56 3HG2 THR 56 0.083 -4.786 -5.709 463 H LEU 57 H LEU 57 0.176 -0.314 -3.427 464 HA LEU 57 HA LEU 57 2.709 0.066 -4.990 465 1HB LEU 57 2HB LEU 57 1.257 2.376 -3.738 466 2HB LEU 57 1HB LEU 57 2.272 2.352 -5.176 467 HG LEU 57 HG LEU 57 0.207 0.706 -5.931 468 1HD1 LEU 57 1HD1 LEU 57 -0.704 2.467 -3.752 469 2HD1 LEU 57 2HD1 LEU 57 -1.458 1.015 -4.414 470 3HD1 LEU 57 3HD1 LEU 57 -1.683 2.570 -5.216 471 1HD2 LEU 57 1HD2 LEU 57 0.779 3.639 -6.269 472 2HD2 LEU 57 2HD2 LEU 57 -0.674 2.946 -6.991 473 3HD2 LEU 57 3HD2 LEU 57 0.918 2.339 -7.451 474 H HIS 58 H HIS 58 4.532 0.542 -3.691 475 HA HIS 58 HA HIS 58 4.384 -0.158 -0.884 476 1HB HIS 58 2HB HIS 58 6.297 -0.086 -2.840 477 2HB HIS 58 1HB HIS 58 6.727 1.341 -1.896 478 HD1 HIS 58 1HD HIS 58 8.425 -1.342 -1.921 479 HD2 HIS 58 2HD HIS 58 5.667 -0.255 1.014 480 HE1 HIS 58 1HE HIS 58 9.055 -2.628 0.167 481 H VAL 59 H VAL 59 3.448 1.226 0.567 482 HA VAL 59 HA VAL 59 3.928 4.167 0.238 483 HB VAL 59 HB VAL 59 1.848 3.609 2.113 484 1HG1 VAL 59 1HG1 VAL 59 2.360 5.363 0.086 485 2HG1 VAL 59 2HG1 VAL 59 0.795 5.205 0.883 486 3HG1 VAL 59 3HG1 VAL 59 1.098 4.369 -0.640 487 1HG2 VAL 59 1HG2 VAL 59 1.561 2.067 -0.490 488 2HG2 VAL 59 2HG2 VAL 59 0.261 2.354 0.666 489 3HG2 VAL 59 3HG2 VAL 59 1.647 1.364 1.125 490 H ARG 60 H ARG 60 5.227 5.082 1.775 491 HA ARG 60 HA ARG 60 5.504 3.662 4.403 492 1HB ARG 60 2HB ARG 60 7.528 5.024 2.607 493 2HB ARG 60 1HB ARG 60 7.885 4.561 4.271 494 1HG ARG 60 2HG ARG 60 8.632 2.748 2.887 495 2HG ARG 60 1HG ARG 60 7.139 2.212 3.659 496 1HD ARG 60 2HD ARG 60 6.081 2.006 1.660 497 2HD ARG 60 1HD ARG 60 6.644 3.604 1.124 498 HE ARG 60 HE ARG 60 8.004 1.058 0.620 499 1HH1 ARG 60 1HH1 ARG 60 7.744 4.271 -0.239 500 2HH1 ARG 60 2HH1 ARG 60 9.413 4.491 -0.644 501 1HH2 ARG 60 1HH2 ARG 60 10.400 1.416 0.621 502 2HH2 ARG 60 2HH2 ARG 60 10.917 2.874 -0.158 503 H GLY 61 H GLY 61 5.909 5.082 6.234 504 1HA GLY 61 2HA GLY 61 4.325 7.324 6.518 505 2HA GLY 61 1HA GLY 61 5.815 7.113 7.437 506 H LYS 62 H LYS 62 4.278 9.206 5.401 507 HA LYS 62 HA LYS 62 6.747 10.142 4.024 508 1HB LYS 62 2HB LYS 62 3.782 10.691 3.831 509 2HB LYS 62 1HB LYS 62 4.957 11.708 2.997 510 1HG LYS 62 2HG LYS 62 5.724 9.924 1.650 511 2HG LYS 62 1HG LYS 62 5.010 8.707 2.709 512 1HD LYS 62 2HD LYS 62 3.137 8.730 1.467 513 2HD LYS 62 1HD LYS 62 2.912 10.437 1.851 514 1HE LYS 62 2HE LYS 62 4.842 10.669 -0.034 515 2HE LYS 62 1HE LYS 62 4.037 9.193 -0.604 516 1HZ LYS 62 1HZ LYS 62 2.985 11.286 -1.407 517 2HZ LYS 62 2HZ LYS 62 2.590 11.656 0.203 518 3HZ LYS 62 3HZ LYS 62 1.934 10.277 -0.540 519 H LYS 63 H LYS 63 4.653 10.916 6.703 520 HA LYS 63 HA LYS 63 5.168 13.717 6.960 521 1HB LYS 63 2HB LYS 63 4.363 13.352 9.235 522 2HB LYS 63 1HB LYS 63 3.434 12.331 8.135 523 1HG LYS 63 2HG LYS 63 5.111 10.477 8.651 524 2HG LYS 63 1HG LYS 63 5.702 11.505 9.957 525 1HD LYS 63 2HD LYS 63 2.771 11.213 9.887 526 2HD LYS 63 1HD LYS 63 3.641 9.712 10.209 527 1HE LYS 63 2HE LYS 63 4.664 10.582 12.159 528 2HE LYS 63 1HE LYS 63 4.316 12.260 11.695 529 1HZ LYS 63 1HZ LYS 63 2.116 10.324 12.003 530 2HZ LYS 63 2HZ LYS 63 2.078 12.017 12.134 531 3HZ LYS 63 3HZ LYS 63 2.763 11.081 13.377 532 H LYS 64 H LYS 64 6.960 14.804 7.730 533 HA LYS 64 HA LYS 64 9.090 15.160 8.701 534 1HB LYS 64 2HB LYS 64 7.775 13.088 10.151 535 2HB LYS 64 1HB LYS 64 9.460 12.602 9.957 536 1HG LYS 64 2HG LYS 64 10.191 14.799 10.827 537 2HG LYS 64 1HG LYS 64 8.503 15.266 11.046 538 1HD LYS 64 2HD LYS 64 8.633 14.358 13.106 539 2HD LYS 64 1HD LYS 64 8.696 12.784 12.313 540 1HE LYS 64 2HE LYS 64 10.905 12.516 12.795 541 2HE LYS 64 1HE LYS 64 11.289 14.190 12.345 542 1HZ LYS 64 1HZ LYS 64 11.264 13.375 14.862 543 2HZ LYS 64 2HZ LYS 64 9.628 13.807 14.710 544 3HZ LYS 64 3HZ LYS 64 10.844 14.956 14.414 545 H ARG 65 H ARG 65 9.830 14.938 6.391 546 HA ARG 65 HA ARG 65 11.709 12.637 6.131 547 1HB ARG 65 2HB ARG 65 9.223 12.855 4.827 548 2HB ARG 65 1HB ARG 65 10.428 13.285 3.610 549 1HG ARG 65 2HG ARG 65 11.606 11.216 3.923 550 2HG ARG 65 1HG ARG 65 10.653 10.821 5.354 551 1HD ARG 65 2HD ARG 65 9.577 9.538 3.707 552 2HD ARG 65 1HD ARG 65 8.614 11.028 3.666 553 HE ARG 65 HE ARG 65 10.835 10.411 1.757 554 1HH1 ARG 65 1HH1 ARG 65 7.584 10.884 1.802 555 2HH1 ARG 65 2HH1 ARG 65 7.549 12.216 0.695 556 1HH2 ARG 65 1HH2 ARG 65 10.987 12.669 0.718 557 2HH2 ARG 65 2HH2 ARG 65 9.476 13.227 0.081 558 H LEU 66 H LEU 66 10.610 15.802 4.948 559 HA LEU 66 HA LEU 66 12.438 16.582 3.080 560 1HB LEU 66 2HB LEU 66 10.925 17.811 5.248 561 2HB LEU 66 1HB LEU 66 12.398 18.713 4.890 562 HG LEU 66 HG LEU 66 10.529 19.510 3.496 563 1HD1 LEU 66 1HD1 LEU 66 12.005 18.120 1.394 564 2HD1 LEU 66 2HD1 LEU 66 13.075 18.768 2.636 565 3HD1 LEU 66 3HD1 LEU 66 11.965 19.840 1.782 566 1HD2 LEU 66 1HD2 LEU 66 10.024 16.685 3.300 567 2HD2 LEU 66 2HD2 LEU 66 10.253 17.338 1.678 568 3HD2 LEU 66 3HD2 LEU 66 9.017 18.020 2.736 569 H GLY 67 H GLY 67 14.622 17.185 3.020 570 1HA GLY 67 2HA GLY 67 16.838 17.431 3.728 571 2HA GLY 67 1HA GLY 67 16.225 17.541 5.373 572 H ARG 68 H ARG 68 18.429 16.157 5.361 573 HA ARG 68 HA ARG 68 18.603 13.494 4.563 574 1HB ARG 68 2HB ARG 68 20.148 13.278 6.443 575 2HB ARG 68 1HB ARG 68 20.305 14.895 5.758 576 1HG ARG 68 2HG ARG 68 18.264 15.157 7.642 577 2HG ARG 68 1HG ARG 68 19.441 14.102 8.426 578 1HD ARG 68 2HD ARG 68 21.104 15.972 7.326 579 2HD ARG 68 1HD ARG 68 19.680 16.961 7.703 580 HE ARG 68 HE ARG 68 20.222 16.674 9.977 581 1HH1 ARG 68 1HH1 ARG 68 22.563 14.996 8.368 582 2HH1 ARG 68 2HH1 ARG 68 22.789 13.763 9.563 583 1HH2 ARG 68 1HH2 ARG 68 20.000 14.673 11.412 584 2HH2 ARG 68 2HH2 ARG 68 21.339 13.580 11.286 585 H TYR 69 H TYR 69 18.508 11.596 6.307 586 HA TYR 69 HA TYR 69 15.871 10.834 6.776 587 1HB TYR 69 2HB TYR 69 17.711 9.297 6.969 588 2HB TYR 69 1HB TYR 69 18.446 10.247 8.260 589 HD1 TYR 69 1HD TYR 69 18.227 9.342 10.387 590 HD2 TYR 69 2HD TYR 69 15.067 8.765 7.536 591 HE1 TYR 69 1HE TYR 69 16.944 8.050 12.071 592 HE2 TYR 69 2HE TYR 69 13.784 7.471 9.219 593 HH TYR 69 HH TYR 69 14.147 6.222 11.241 594 H LEU 70 H LEU 70 14.313 11.430 8.244 595 HA LEU 70 HA LEU 70 15.041 12.588 10.852 596 1HB LEU 70 2HB LEU 70 14.738 14.211 8.600 597 2HB LEU 70 1HB LEU 70 13.197 14.345 9.444 598 HG LEU 70 HG LEU 70 14.928 14.533 11.538 599 1HD1 LEU 70 1HD1 LEU 70 16.683 14.615 9.489 600 2HD1 LEU 70 2HD1 LEU 70 16.938 15.498 10.994 601 3HD1 LEU 70 3HD1 LEU 70 16.275 16.328 9.586 602 1HD2 LEU 70 1HD2 LEU 70 14.445 16.924 11.496 603 2HD2 LEU 70 2HD2 LEU 70 13.023 16.046 10.931 604 3HD2 LEU 70 3HD2 LEU 70 14.080 16.850 9.772 605 H GLY 71 H GLY 71 13.636 10.270 10.073 606 1HA GLY 71 2HA GLY 71 11.287 10.453 11.689 607 2HA GLY 71 1HA GLY 71 10.813 10.495 9.991 608 H LYS 72 H LYS 72 10.351 8.524 9.165 609 HA LYS 72 HA LYS 72 12.088 6.215 9.715 610 1HB LYS 72 2HB LYS 72 9.379 6.646 10.931 611 2HB LYS 72 1HB LYS 72 9.860 5.004 10.500 612 1HG LYS 72 2HG LYS 72 12.089 5.653 11.756 613 2HG LYS 72 1HG LYS 72 11.059 6.855 12.533 614 1HD LYS 72 2HD LYS 72 9.590 5.180 13.396 615 2HD LYS 72 1HD LYS 72 10.305 3.930 12.378 616 1HE LYS 72 2HE LYS 72 12.150 3.678 13.749 617 2HE LYS 72 1HE LYS 72 12.125 5.376 14.265 618 1HZ LYS 72 1HZ LYS 72 9.889 3.572 14.934 619 2HZ LYS 72 2HZ LYS 72 10.367 5.009 15.704 620 3HZ LYS 72 3HZ LYS 72 11.283 3.592 15.900 621 H ARG 73 H ARG 73 11.437 4.338 8.367 622 HA ARG 73 HA ARG 73 9.349 4.828 6.319 623 1HB ARG 73 2HB ARG 73 12.128 5.417 5.981 624 2HB ARG 73 1HB ARG 73 11.740 4.030 4.962 625 1HG ARG 73 2HG ARG 73 9.675 5.392 4.219 626 2HG ARG 73 1HG ARG 73 10.500 6.780 4.930 627 1HD ARG 73 2HD ARG 73 12.013 5.010 3.025 628 2HD ARG 73 1HD ARG 73 10.894 6.229 2.384 629 HE ARG 73 HE ARG 73 12.163 7.927 3.733 630 1HH1 ARG 73 1HH1 ARG 73 13.535 5.081 4.661 631 2HH1 ARG 73 2HH1 ARG 73 15.164 5.485 4.230 632 1HH2 ARG 73 1HH2 ARG 73 14.274 8.359 2.505 633 2HH2 ARG 73 2HH2 ARG 73 15.582 7.340 3.009 634 HA PRO 74 HA PRO 74 9.850 0.413 7.557 635 1HB PRO 74 2HB PRO 74 7.186 -0.052 7.910 636 2HB PRO 74 1HB PRO 74 8.223 0.613 9.186 637 1HG PRO 74 2HG PRO 74 6.297 1.999 7.400 638 2HG PRO 74 1HG PRO 74 6.681 2.302 9.101 639 1HD PRO 74 2HD PRO 74 7.634 3.807 7.014 640 2HD PRO 74 1HD PRO 74 8.440 3.663 8.590 641 H ASP 75 H ASP 75 7.935 -1.339 6.631 642 HA ASP 75 HA ASP 75 7.917 -0.832 3.687 643 1HB ASP 75 2HB ASP 75 8.253 -3.298 5.408 644 2HB ASP 75 1HB ASP 75 7.865 -3.416 3.691 645 H ARG 76 H ARG 76 5.843 0.163 3.789 646 HA ARG 76 HA ARG 76 3.581 -1.691 4.462 647 1HB ARG 76 2HB ARG 76 3.593 0.080 6.038 648 2HB ARG 76 1HB ARG 76 4.035 1.274 4.820 649 1HG ARG 76 2HG ARG 76 1.596 0.111 3.953 650 2HG ARG 76 1HG ARG 76 1.407 0.464 5.670 651 1HD ARG 76 2HD ARG 76 2.748 2.704 4.636 652 2HD ARG 76 1HD ARG 76 1.490 2.325 3.443 653 HE ARG 76 HE ARG 76 -0.045 2.145 5.549 654 1HH1 ARG 76 1HH2 ARG 76 2.706 3.293 6.806 655 2HH1 ARG 76 2HH2 ARG 76 2.133 4.873 7.226 656 1HH2 ARG 76 1HH1 ARG 76 -0.804 4.581 5.405 657 2HH2 ARG 76 2HH1 ARG 76 0.144 5.601 6.434 658 H LYS 77 H LYS 77 2.479 -2.285 2.637 659 HA LYS 77 HA LYS 77 2.436 -0.371 0.326 660 1HB LYS 77 2HB LYS 77 2.664 -2.276 -1.114 661 2HB LYS 77 1HB LYS 77 3.852 -2.493 0.171 662 1HG LYS 77 2HG LYS 77 2.293 -3.973 1.375 663 2HG LYS 77 1HG LYS 77 1.093 -3.751 0.102 664 1HD LYS 77 2HD LYS 77 3.834 -4.681 -0.667 665 2HD LYS 77 1HD LYS 77 2.725 -5.841 0.063 666 1HE LYS 77 2HE LYS 77 1.063 -4.672 -1.754 667 2HE LYS 77 1HE LYS 77 2.614 -4.568 -2.611 668 1HZ LYS 77 1HZ LYS 77 1.958 -6.706 -3.105 669 2HZ LYS 77 2HZ LYS 77 1.213 -6.952 -1.597 670 3HZ LYS 77 3HZ LYS 77 2.907 -6.968 -1.724 671 H LYS 78 H LYS 78 0.425 -0.044 -0.647 672 HA LYS 78 HA LYS 78 -1.916 -1.234 0.756 673 1HB LYS 78 2HB LYS 78 -3.102 0.685 -0.200 674 2HB LYS 78 1HB LYS 78 -1.614 1.244 0.565 675 1HG LYS 78 2HG LYS 78 -0.481 1.292 -1.605 676 2HG LYS 78 1HG LYS 78 -1.926 0.656 -2.394 677 1HD LYS 78 2HD LYS 78 -2.502 2.822 -2.718 678 2HD LYS 78 1HD LYS 78 -2.907 2.833 -1.001 679 1HE LYS 78 2HE LYS 78 -1.067 4.078 -0.449 680 2HE LYS 78 1HE LYS 78 -0.032 3.243 -1.625 681 1HZ LYS 78 1HZ LYS 78 -1.555 4.377 -3.344 682 2HZ LYS 78 2HZ LYS 78 -0.338 5.303 -2.605 683 3HZ LYS 78 3HZ LYS 78 -1.949 5.438 -2.081 684 H ALA 79 H ALA 79 -3.632 -2.244 -0.531 685 HA ALA 79 HA ALA 79 -2.709 -3.105 -3.254 686 1HB ALA 79 1HB ALA 79 -4.807 -4.564 -1.768 687 2HB ALA 79 2HB ALA 79 -3.173 -4.623 -1.096 688 3HB ALA 79 3HB ALA 79 -3.472 -5.190 -2.744 689 H ILE 80 H ILE 80 -3.872 -2.171 -4.875 690 HA ILE 80 HA ILE 80 -6.643 -1.240 -4.350 691 HB ILE 80 HB ILE 80 -4.810 -0.973 -6.751 692 1HG1 ILE 80 2HG1 ILE 80 -5.290 0.788 -4.335 693 2HG1 ILE 80 1HG1 ILE 80 -3.756 0.115 -4.892 694 1HG2 ILE 80 1HG2 ILE 80 -6.344 0.582 -7.609 695 2HG2 ILE 80 2HG2 ILE 80 -7.115 0.830 -6.041 696 3HG2 ILE 80 3HG2 ILE 80 -7.398 -0.663 -6.938 697 1HD1 ILE 80 1HD1 ILE 80 -4.059 1.435 -7.025 698 2HD1 ILE 80 2HD1 ILE 80 -3.811 2.421 -5.581 699 3HD1 ILE 80 3HD1 ILE 80 -5.433 2.234 -6.254 700 H VAL 81 H VAL 81 -8.143 -2.875 -4.635 701 HA VAL 81 HA VAL 81 -7.655 -4.893 -6.775 702 HB VAL 81 HB VAL 81 -9.780 -4.841 -4.619 703 1HG1 VAL 81 1HG1 VAL 81 -9.366 -6.538 -6.768 704 2HG1 VAL 81 2HG1 VAL 81 -10.261 -6.947 -5.306 705 3HG1 VAL 81 3HG1 VAL 81 -8.556 -7.377 -5.445 706 1HG2 VAL 81 1HG2 VAL 81 -8.070 -6.383 -3.433 707 2HG2 VAL 81 2HG2 VAL 81 -7.769 -4.646 -3.381 708 3HG2 VAL 81 3HG2 VAL 81 -6.876 -5.661 -4.510 709 H GLN 82 H GLN 82 -9.117 -5.147 -8.480 710 HA GLN 82 HA GLN 82 -11.281 -3.078 -8.681 711 1HB GLN 82 2HB GLN 82 -9.454 -2.814 -10.287 712 2HB GLN 82 1HB GLN 82 -9.604 -4.495 -10.773 713 1HG GLN 82 2HG GLN 82 -10.869 -3.501 -12.433 714 2HG GLN 82 1HG GLN 82 -12.123 -3.771 -11.223 715 1HE2 GLN 82 1HE2 GLN 82 -13.437 -1.937 -11.210 716 2HE2 GLN 82 2HE2 GLN 82 -12.869 -0.336 -11.205 717 H VAL 83 H VAL 83 -13.306 -3.841 -9.524 718 HA VAL 83 HA VAL 83 -13.458 -6.809 -9.702 719 HB VAL 83 HB VAL 83 -15.470 -6.776 -8.444 720 1HG1 VAL 83 1HG1 VAL 83 -13.509 -4.741 -7.351 721 2HG1 VAL 83 2HG1 VAL 83 -13.600 -6.460 -6.969 722 3HG1 VAL 83 3HG1 VAL 83 -14.868 -5.365 -6.417 723 1HG2 VAL 83 1HG2 VAL 83 -16.562 -4.925 -9.604 724 2HG2 VAL 83 2HG2 VAL 83 -15.449 -3.768 -8.864 725 3HG2 VAL 83 3HG2 VAL 83 -16.616 -4.635 -7.862 726 H ALA 84 H ALA 84 -15.100 -7.599 -11.121 727 HA ALA 84 HA ALA 84 -15.256 -6.501 -13.669 728 1HB ALA 84 1HB ALA 84 -16.177 -8.546 -13.781 729 2HB ALA 84 2HB ALA 84 -17.682 -7.826 -13.206 730 3HB ALA 84 3HB ALA 84 -16.544 -8.529 -12.052 731 HA PRO 85 HA PRO 85 -18.277 -3.335 -13.700 732 1HB PRO 85 2HB PRO 85 -19.962 -4.035 -15.741 733 2HB PRO 85 1HB PRO 85 -18.309 -3.473 -16.010 734 1HG PRO 85 2HG PRO 85 -19.388 -6.203 -16.075 735 2HG PRO 85 1HG PRO 85 -18.128 -5.472 -17.063 736 1HD PRO 85 2HD PRO 85 -17.644 -7.167 -14.952 737 2HD PRO 85 1HD PRO 85 -16.487 -5.970 -15.556 738 H GLY 86 H GLY 86 -20.241 -2.807 -12.708 739 1HA GLY 86 2HA GLY 86 -22.506 -3.226 -11.999 740 2HA GLY 86 1HA GLY 86 -22.262 -4.942 -12.321 741 H GLN 87 H GLN 87 -19.830 -5.302 -10.898 742 HA GLN 87 HA GLN 87 -20.844 -5.640 -8.213 743 1HB GLN 87 2HB GLN 87 -18.258 -6.026 -9.688 744 2HB GLN 87 1HB GLN 87 -18.262 -6.150 -7.929 745 1HG GLN 87 2HG GLN 87 -20.456 -7.644 -8.554 746 2HG GLN 87 1HG GLN 87 -19.425 -7.965 -9.949 747 1HE2 GLN 87 1HE2 GLN 87 -20.104 -9.835 -7.706 748 2HE2 GLN 87 2HE2 GLN 87 -18.618 -10.276 -7.013 749 H LYS 88 H LYS 88 -19.321 -4.846 -6.330 750 HA LYS 88 HA LYS 88 -17.946 -2.344 -6.552 751 1HB LYS 88 2HB LYS 88 -20.731 -2.266 -6.924 752 2HB LYS 88 1HB LYS 88 -20.498 -1.712 -5.274 753 1HG LYS 88 2HG LYS 88 -20.432 -0.073 -7.402 754 2HG LYS 88 1HG LYS 88 -19.523 0.249 -5.930 755 1HD LYS 88 2HD LYS 88 -17.494 -0.336 -6.908 756 2HD LYS 88 1HD LYS 88 -18.248 -1.383 -8.104 757 1HE LYS 88 2HE LYS 88 -19.265 1.260 -8.510 758 2HE LYS 88 1HE LYS 88 -17.495 1.352 -8.420 759 1HZ LYS 88 1HZ LYS 88 -17.344 -0.490 -9.968 760 2HZ LYS 88 2HZ LYS 88 -18.236 0.777 -10.662 761 3HZ LYS 88 3HZ LYS 88 -19.035 -0.594 -10.057 762 H ILE 89 H ILE 89 -16.583 -3.100 -4.871 763 HA ILE 89 HA ILE 89 -17.394 -4.479 -2.534 764 HB ILE 89 HB ILE 89 -15.106 -2.622 -3.212 765 1HG1 ILE 89 2HG1 ILE 89 -15.411 -5.615 -2.814 766 2HG1 ILE 89 1HG1 ILE 89 -15.041 -4.779 -4.323 767 1HG2 ILE 89 1HG2 ILE 89 -14.054 -3.561 -1.081 768 2HG2 ILE 89 2HG2 ILE 89 -15.676 -4.072 -0.618 769 3HG2 ILE 89 3HG2 ILE 89 -15.321 -2.360 -0.842 770 1HD1 ILE 89 1HD1 ILE 89 -12.917 -5.456 -3.661 771 2HD1 ILE 89 2HD1 ILE 89 -13.277 -5.262 -1.945 772 3HD1 ILE 89 3HD1 ILE 89 -12.992 -3.843 -2.952 773 H GLU 90 H GLU 90 -19.368 -3.438 -1.829 774 HA GLU 90 HA GLU 90 -19.721 -0.701 -1.201 775 1HB GLU 90 2HB GLU 90 -21.626 -1.507 0.031 776 2HB GLU 90 1HB GLU 90 -21.401 -2.606 -1.330 777 1HG GLU 90 2HG GLU 90 -20.056 -4.094 0.204 778 2HG GLU 90 1HG GLU 90 -20.548 -3.056 1.542 779 H ALA 91 H ALA 91 -17.701 -3.008 0.354 780 HA ALA 91 HA ALA 91 -17.798 -2.294 3.073 781 1HB ALA 91 1HB ALA 91 -15.422 -3.065 3.050 782 2HB ALA 91 2HB ALA 91 -15.443 -2.986 1.288 783 3HB ALA 91 3HB ALA 91 -16.483 -4.133 2.132 784 H LEU 92 H LEU 92 -16.250 -0.572 0.373 785 HA LEU 92 HA LEU 92 -15.300 1.510 2.304 786 1HB LEU 92 2HB LEU 92 -14.564 1.642 -0.571 787 2HB LEU 92 1HB LEU 92 -13.552 1.858 0.854 788 HG LEU 92 HG LEU 92 -14.501 -0.761 -0.328 789 1HD1 LEU 92 1HD1 LEU 92 -11.649 -0.312 0.225 790 2HD1 LEU 92 2HD1 LEU 92 -12.317 0.803 -0.966 791 3HD1 LEU 92 3HD1 LEU 92 -12.427 -0.937 -1.229 792 1HD2 LEU 92 1HD2 LEU 92 -13.622 -0.034 2.378 793 2HD2 LEU 92 2HD2 LEU 92 -12.662 -1.331 1.664 794 3HD2 LEU 92 3HD2 LEU 92 -14.411 -1.507 1.815 795 H GLU 93 H GLU 93 -17.524 0.889 -0.301 796 HA GLU 93 HA GLU 93 -18.017 3.443 -1.340 797 1HB GLU 93 2HB GLU 93 -19.817 1.095 -0.698 798 2HB GLU 93 1HB GLU 93 -20.370 2.487 -1.632 799 1HG GLU 93 2HG GLU 93 -17.820 1.137 -2.441 800 2HG GLU 93 1HG GLU 93 -19.353 0.371 -2.858 801 H GLY 94 H GLY 94 -19.080 2.047 1.740 802 1HA GLY 94 2HA GLY 94 -20.588 4.537 2.352 803 2HA GLY 94 1HA GLY 94 -20.699 3.029 3.260 804 H LEU 95 H LEU 95 -17.481 3.633 2.548 805 HA LEU 95 HA LEU 95 -16.848 4.225 5.330 806 1HB LEU 95 2HB LEU 95 -15.604 3.207 2.996 807 2HB LEU 95 1HB LEU 95 -14.675 4.628 3.473 808 HG LEU 95 HG LEU 95 -14.350 3.754 5.702 809 1HD1 LEU 95 1HD1 LEU 95 -15.347 1.158 5.691 810 2HD1 LEU 95 2HD1 LEU 95 -16.634 2.097 4.935 811 3HD1 LEU 95 3HD1 LEU 95 -16.055 2.530 6.543 812 1HD2 LEU 95 1HD2 LEU 95 -12.696 2.866 4.269 813 2HD2 LEU 95 2HD2 LEU 95 -13.849 1.818 3.442 814 3HD2 LEU 95 3HD2 LEU 95 -13.335 1.440 5.087 815 H ILE 96 H ILE 96 -17.263 6.096 2.399 816 HA ILE 96 HA ILE 96 -15.783 8.429 2.963 817 HB ILE 96 HB ILE 96 -18.501 8.033 1.670 818 1HG1 ILE 96 2HG1 ILE 96 -16.059 8.532 0.070 819 2HG1 ILE 96 1HG1 ILE 96 -16.097 6.984 0.913 820 1HG2 ILE 96 1HG2 ILE 96 -17.483 10.167 0.402 821 2HG2 ILE 96 2HG2 ILE 96 -16.722 10.408 1.974 822 3HG2 ILE 96 3HG2 ILE 96 -18.479 10.329 1.847 823 1HD1 ILE 96 1HD1 ILE 96 -17.415 6.210 -0.742 824 2HD1 ILE 96 2HD1 ILE 96 -17.589 7.824 -1.430 825 3HD1 ILE 96 3HD1 ILE 96 -18.677 7.290 -0.148 Start of MODEL 25 1 1H MET 1 1HT MET 1 -2.318 -13.352 12.596 2 2H MET 1 2HT MET 1 -3.278 -12.108 13.242 3 3H MET 1 3HT MET 1 -1.645 -12.246 13.692 4 HA MET 1 HA MET 1 -1.355 -10.636 12.127 5 1HB MET 1 2HB MET 1 -0.622 -13.128 11.412 6 2HB MET 1 1HB MET 1 -1.751 -12.780 10.095 7 1HG MET 1 2HG MET 1 -0.353 -11.288 9.138 8 2HG MET 1 1HG MET 1 0.052 -10.545 10.686 9 1HE MET 1 1HE MET 1 2.835 -10.349 10.410 10 2HE MET 1 2HE MET 1 3.320 -11.580 11.572 11 3HE MET 1 3HE MET 1 1.839 -10.663 11.838 12 H LYS 2 H LYS 2 -2.129 -10.817 9.357 13 HA LYS 2 HA LYS 2 -4.743 -9.538 9.467 14 1HB LYS 2 2HB LYS 2 -3.404 -10.503 6.945 15 2HB LYS 2 1HB LYS 2 -4.283 -9.004 7.219 16 1HG LYS 2 2HG LYS 2 -1.468 -9.695 8.075 17 2HG LYS 2 1HG LYS 2 -2.009 -8.347 7.082 18 1HD LYS 2 2HD LYS 2 -2.228 -7.062 8.908 19 2HD LYS 2 1HD LYS 2 -3.372 -8.210 9.600 20 1HE LYS 2 2HE LYS 2 -1.793 -9.121 10.981 21 2HE LYS 2 1HE LYS 2 -0.534 -9.054 9.731 22 1HZ LYS 2 1HZ LYS 2 -1.593 -6.536 10.797 23 2HZ LYS 2 2HZ LYS 2 -0.044 -6.886 10.194 24 3HZ LYS 2 3HZ LYS 2 -0.489 -7.403 11.750 25 H THR 3 H THR 3 -6.442 -10.918 9.842 26 HA THR 3 HA THR 3 -6.913 -13.569 9.646 27 HB THR 3 HB THR 3 -8.479 -11.128 9.005 28 HG1 THR 3 1HG THR 3 -9.018 -13.460 10.522 29 1HG2 THR 3 1HG2 THR 3 -10.439 -12.322 8.192 30 2HG2 THR 3 2HG2 THR 3 -9.577 -13.858 8.279 31 3HG2 THR 3 3HG2 THR 3 -9.084 -12.635 7.107 32 H ALA 4 H ALA 4 -6.634 -11.370 6.936 33 HA ALA 4 HA ALA 4 -7.110 -13.157 4.732 34 1HB ALA 4 1HB ALA 4 -5.461 -10.670 5.262 35 2HB ALA 4 2HB ALA 4 -7.054 -10.751 4.494 36 3HB ALA 4 3HB ALA 4 -5.631 -11.363 3.649 37 H TYR 5 H TYR 5 -5.781 -14.964 6.095 38 HA TYR 5 HA TYR 5 -3.696 -15.988 6.664 39 1HB TYR 5 2HB TYR 5 -2.541 -16.581 4.435 40 2HB TYR 5 1HB TYR 5 -4.214 -17.079 4.628 41 HD1 TYR 5 1HD TYR 5 -1.947 -15.644 2.411 42 HD2 TYR 5 2HD TYR 5 -5.967 -15.155 3.841 43 HE1 TYR 5 1HE TYR 5 -2.548 -14.445 0.321 44 HE2 TYR 5 2HE TYR 5 -6.554 -13.942 1.769 45 HH TYR 5 HH TYR 5 -4.119 -13.246 -0.719 46 H ASP 6 H ASP 6 -3.645 -13.240 7.115 47 HA ASP 6 HA ASP 6 -2.141 -11.553 7.659 48 1HB ASP 6 2HB ASP 6 -0.735 -13.085 8.597 49 2HB ASP 6 1HB ASP 6 -0.477 -13.956 7.090 50 H VAL 7 H VAL 7 -3.356 -11.066 5.325 51 HA VAL 7 HA VAL 7 -1.172 -10.096 3.511 52 HB VAL 7 HB VAL 7 -3.956 -10.925 2.685 53 1HG1 VAL 7 1HG1 VAL 7 -2.330 -9.452 1.286 54 2HG1 VAL 7 2HG1 VAL 7 -3.113 -10.825 0.499 55 3HG1 VAL 7 3HG1 VAL 7 -1.439 -10.956 1.037 56 1HG2 VAL 7 1HG2 VAL 7 -1.989 -12.643 3.714 57 2HG2 VAL 7 2HG2 VAL 7 -1.902 -12.822 1.960 58 3HG2 VAL 7 3HG2 VAL 7 -3.431 -13.081 2.803 59 H ILE 8 H ILE 8 -4.052 -9.195 2.217 60 HA ILE 8 HA ILE 8 -3.845 -6.429 2.683 61 HB ILE 8 HB ILE 8 -6.302 -8.122 2.093 62 1HG1 ILE 8 2HG1 ILE 8 -4.804 -6.934 -0.144 63 2HG1 ILE 8 1HG1 ILE 8 -3.913 -8.190 0.713 64 1HG2 ILE 8 1HG2 ILE 8 -7.320 -6.190 1.432 65 2HG2 ILE 8 2HG2 ILE 8 -5.838 -5.565 0.703 66 3HG2 ILE 8 3HG2 ILE 8 -6.107 -5.396 2.440 67 1HD1 ILE 8 1HD1 ILE 8 -6.583 -9.113 0.452 68 2HD1 ILE 8 2HD1 ILE 8 -5.146 -9.746 -0.348 69 3HD1 ILE 8 3HD1 ILE 8 -6.106 -8.488 -1.125 70 H LEU 9 H LEU 9 -4.921 -5.036 4.149 71 HA LEU 9 HA LEU 9 -6.164 -6.402 6.513 72 1HB LEU 9 2HB LEU 9 -4.217 -4.150 6.150 73 2HB LEU 9 1HB LEU 9 -5.264 -4.139 7.569 74 HG LEU 9 HG LEU 9 -4.089 -6.770 7.074 75 1HD1 LEU 9 1HD1 LEU 9 -1.842 -6.307 7.181 76 2HD1 LEU 9 2HD1 LEU 9 -2.086 -4.826 8.108 77 3HD1 LEU 9 3HD1 LEU 9 -2.353 -4.829 6.365 78 1HD2 LEU 9 1HD2 LEU 9 -4.904 -5.032 9.235 79 2HD2 LEU 9 2HD2 LEU 9 -3.284 -5.654 9.547 80 3HD2 LEU 9 3HD2 LEU 9 -4.618 -6.772 9.267 81 H ALA 10 H ALA 10 -6.128 -2.952 6.375 82 HA ALA 10 HA ALA 10 -9.079 -2.964 5.879 83 1HB ALA 10 1HB ALA 10 -8.134 -0.524 7.008 84 2HB ALA 10 2HB ALA 10 -7.324 -1.843 7.854 85 3HB ALA 10 3HB ALA 10 -9.087 -1.781 7.798 86 HA PRO 11 HA PRO 11 -8.527 -0.412 2.342 87 1HB PRO 11 2HB PRO 11 -10.797 1.104 2.437 88 2HB PRO 11 1HB PRO 11 -10.809 -0.618 2.011 89 1HG PRO 11 2HG PRO 11 -11.549 0.705 4.561 90 2HG PRO 11 1HG PRO 11 -12.237 -0.731 3.790 91 1HD PRO 11 2HD PRO 11 -10.473 -0.774 5.912 92 2HD PRO 11 1HD PRO 11 -10.751 -2.127 4.794 93 H VAL 12 H VAL 12 -8.063 1.827 1.697 94 HA VAL 12 HA VAL 12 -7.235 3.517 4.011 95 HB VAL 12 HB VAL 12 -5.657 4.439 2.495 96 1HG1 VAL 12 1HG1 VAL 12 -4.426 2.565 2.118 97 2HG1 VAL 12 2HG1 VAL 12 -5.684 1.830 1.124 98 3HG1 VAL 12 3HG1 VAL 12 -5.774 1.723 2.882 99 1HG2 VAL 12 1HG2 VAL 12 -5.830 4.229 0.065 100 2HG2 VAL 12 2HG2 VAL 12 -7.328 4.912 0.699 101 3HG2 VAL 12 3HG2 VAL 12 -7.262 3.212 0.229 102 H LEU 13 H LEU 13 -8.102 5.578 4.308 103 HA LEU 13 HA LEU 13 -10.396 6.310 2.542 104 1HB LEU 13 2HB LEU 13 -9.526 7.043 5.349 105 2HB LEU 13 1HB LEU 13 -10.881 7.824 4.534 106 HG LEU 13 HG LEU 13 -11.809 6.037 5.841 107 1HD1 LEU 13 1HD1 LEU 13 -12.374 6.302 3.273 108 2HD1 LEU 13 2HD1 LEU 13 -13.020 4.937 4.184 109 3HD1 LEU 13 3HD1 LEU 13 -11.606 4.719 3.152 110 1HD2 LEU 13 1HD2 LEU 13 -9.420 4.870 5.788 111 2HD2 LEU 13 2HD2 LEU 13 -10.143 3.966 4.457 112 3HD2 LEU 13 3HD2 LEU 13 -10.881 3.921 6.058 113 H SER 14 H SER 14 -9.793 7.719 0.940 114 HA SER 14 HA SER 14 -8.540 10.266 1.625 115 1HB SER 14 2HB SER 14 -7.042 8.093 0.139 116 2HB SER 14 1HB SER 14 -6.559 9.786 0.093 117 HG SER 14 HG SER 14 -6.101 7.950 1.983 118 H GLU 15 H GLU 15 -9.208 11.769 0.111 119 HA GLU 15 HA GLU 15 -11.156 11.379 -1.805 120 1HB GLU 15 2HB GLU 15 -8.835 13.274 -1.538 121 2HB GLU 15 1HB GLU 15 -9.896 13.395 -2.942 122 1HG GLU 15 2HG GLU 15 -11.447 13.099 -0.510 123 2HG GLU 15 1HG GLU 15 -10.359 14.481 -0.394 124 H LYS 16 H LYS 16 -7.628 11.226 -2.408 125 HA LYS 16 HA LYS 16 -7.671 10.665 -5.157 126 1HB LYS 16 2HB LYS 16 -5.849 9.642 -2.957 127 2HB LYS 16 1HB LYS 16 -5.450 9.641 -4.675 128 1HG LYS 16 2HG LYS 16 -6.013 12.190 -4.554 129 2HG LYS 16 1HG LYS 16 -5.781 11.986 -2.818 130 1HD LYS 16 2HD LYS 16 -3.646 10.662 -4.224 131 2HD LYS 16 1HD LYS 16 -3.777 12.326 -4.794 132 1HE LYS 16 2HE LYS 16 -3.714 11.583 -1.850 133 2HE LYS 16 1HE LYS 16 -2.277 12.067 -2.773 134 1HZ LYS 16 1HZ LYS 16 -3.513 14.073 -3.467 135 2HZ LYS 16 2HZ LYS 16 -3.247 14.016 -1.790 136 3HZ LYS 16 3HZ LYS 16 -4.777 13.637 -2.424 137 H ALA 17 H ALA 17 -8.143 8.483 -2.397 138 HA ALA 17 HA ALA 17 -8.208 6.070 -4.052 139 1HB ALA 17 1HB ALA 17 -8.269 6.870 -1.243 140 2HB ALA 17 2HB ALA 17 -7.679 5.371 -1.961 141 3HB ALA 17 3HB ALA 17 -9.392 5.551 -1.577 142 H TYR 18 H TYR 18 -10.708 7.551 -1.947 143 HA TYR 18 HA TYR 18 -12.956 6.192 -2.785 144 1HB TYR 18 2HB TYR 18 -12.330 8.940 -1.848 145 2HB TYR 18 1HB TYR 18 -13.935 8.709 -2.547 146 HD1 TYR 18 1HD TYR 18 -12.661 9.013 0.489 147 HD2 TYR 18 2HD TYR 18 -14.547 5.938 -1.837 148 HE1 TYR 18 1HE TYR 18 -13.411 7.899 2.574 149 HE2 TYR 18 2HE TYR 18 -15.298 4.817 0.249 150 HH TYR 18 HH TYR 18 -15.688 5.289 2.545 151 H ALA 19 H ALA 19 -11.124 8.532 -4.649 152 HA ALA 19 HA ALA 19 -13.215 8.752 -6.720 153 1HB ALA 19 1HB ALA 19 -10.568 9.965 -6.056 154 2HB ALA 19 2HB ALA 19 -12.075 10.756 -6.520 155 3HB ALA 19 3HB ALA 19 -11.062 9.997 -7.749 156 H GLY 20 H GLY 20 -10.084 7.178 -6.209 157 1HA GLY 20 2HA GLY 20 -10.025 6.066 -8.934 158 2HA GLY 20 1HA GLY 20 -8.855 5.735 -7.652 159 H PHE 21 H PHE 21 -10.721 5.041 -5.637 160 HA PHE 21 HA PHE 21 -11.234 2.264 -6.334 161 1HB PHE 21 2HB PHE 21 -10.886 2.253 -4.094 162 2HB PHE 21 1HB PHE 21 -11.012 4.003 -4.032 163 HD1 PHE 21 1HD PHE 21 -12.490 0.945 -3.007 164 HD2 PHE 21 2HD PHE 21 -13.458 4.974 -4.134 165 HE1 PHE 21 1HE PHE 21 -14.669 0.749 -1.841 166 HE2 PHE 21 2HE PHE 21 -15.636 4.778 -2.969 167 HZ PHE 21 HZ PHE 21 -16.244 2.664 -1.822 168 H ALA 22 H ALA 22 -12.937 5.208 -6.614 169 HA ALA 22 HA ALA 22 -15.624 4.376 -6.274 170 1HB ALA 22 1HB ALA 22 -15.810 6.593 -6.635 171 2HB ALA 22 2HB ALA 22 -15.315 6.372 -8.314 172 3HB ALA 22 3HB ALA 22 -14.100 6.635 -7.062 173 H GLU 23 H GLU 23 -13.303 3.698 -8.720 174 HA GLU 23 HA GLU 23 -15.330 3.034 -10.783 175 1HB GLU 23 2HB GLU 23 -12.678 3.969 -10.708 176 2HB GLU 23 1HB GLU 23 -12.565 2.325 -11.329 177 1HG GLU 23 2HG GLU 23 -14.651 3.120 -12.791 178 2HG GLU 23 1HG GLU 23 -13.927 4.705 -12.512 179 H GLY 24 H GLY 24 -13.973 1.514 -8.127 180 1HA GLY 24 2HA GLY 24 -14.788 -0.814 -7.739 181 2HA GLY 24 1HA GLY 24 -14.267 -1.145 -9.384 182 H LYS 25 H LYS 25 -12.041 0.948 -8.176 183 HA LYS 25 HA LYS 25 -10.034 -1.165 -7.827 184 1HB LYS 25 2HB LYS 25 -10.021 1.870 -7.661 185 2HB LYS 25 1HB LYS 25 -8.566 0.884 -7.558 186 1HG LYS 25 2HG LYS 25 -8.903 0.027 -9.783 187 2HG LYS 25 1HG LYS 25 -10.501 0.763 -9.882 188 1HD LYS 25 2HD LYS 25 -9.242 3.003 -9.462 189 2HD LYS 25 1HD LYS 25 -7.804 2.103 -9.942 190 1HE LYS 25 2HE LYS 25 -9.034 1.427 -12.053 191 2HE LYS 25 1HE LYS 25 -10.305 2.577 -11.593 192 1HZ LYS 25 1HZ LYS 25 -8.156 3.296 -12.978 193 2HZ LYS 25 2HZ LYS 25 -7.564 3.532 -11.402 194 3HZ LYS 25 3HZ LYS 25 -8.962 4.347 -11.918 195 H TYR 26 H TYR 26 -9.126 -1.789 -5.820 196 HA TYR 26 HA TYR 26 -10.205 -0.366 -3.418 197 1HB TYR 26 2HB TYR 26 -9.909 -3.321 -3.992 198 2HB TYR 26 1HB TYR 26 -10.312 -2.671 -2.400 199 HD1 TYR 26 1HD TYR 26 -11.687 -3.870 -5.412 200 HD2 TYR 26 2HD TYR 26 -12.244 -0.828 -2.432 201 HE1 TYR 26 1HE TYR 26 -14.058 -3.619 -6.103 202 HE2 TYR 26 2HE TYR 26 -14.613 -0.587 -3.121 203 HH TYR 26 HH TYR 26 -15.852 -2.089 -5.990 204 H THR 27 H THR 27 -8.460 0.710 -2.697 205 HA THR 27 HA THR 27 -5.761 -0.348 -2.721 206 HB THR 27 HB THR 27 -6.740 2.017 -1.145 207 HG1 THR 27 1HG THR 27 -6.642 3.185 -3.128 208 1HG2 THR 27 1HG2 THR 27 -4.400 2.107 -2.968 209 2HG2 THR 27 2HG2 THR 27 -4.257 1.044 -1.568 210 3HG2 THR 27 3HG2 THR 27 -4.587 2.761 -1.340 211 H PHE 28 H PHE 28 -4.707 -1.263 -0.976 212 HA PHE 28 HA PHE 28 -6.162 -1.396 1.637 213 1HB PHE 28 2HB PHE 28 -5.012 -3.635 -0.047 214 2HB PHE 28 1HB PHE 28 -5.494 -3.835 1.631 215 HD1 PHE 28 1HD PHE 28 -6.586 -5.096 -1.066 216 HD2 PHE 28 2HD PHE 28 -7.917 -1.964 1.552 217 HE1 PHE 28 1HE PHE 28 -8.931 -5.478 -1.794 218 HE2 PHE 28 2HE PHE 28 -10.257 -2.345 0.827 219 HZ PHE 28 HZ PHE 28 -10.765 -4.105 -0.845 220 H TRP 29 H TRP 29 -4.671 -2.169 3.389 221 HA TRP 29 HA TRP 29 -1.848 -1.322 2.863 222 1HB TRP 29 2HB TRP 29 -3.597 -1.505 5.345 223 2HB TRP 29 1HB TRP 29 -1.864 -1.189 5.424 224 HD1 TRP 29 HD TRP 29 -5.136 0.487 4.905 225 HE1 TRP 29 1HE TRP 29 -4.787 2.966 4.296 226 HE3 TRP 29 3HE TRP 29 -0.107 0.475 3.993 227 HZ2 TRP 29 2HZ TRP 29 -2.661 4.714 3.524 228 HZ3 TRP 29 3HZ TRP 29 1.054 2.564 3.321 229 HH2 TRP 29 HH TRP 29 -0.218 4.679 3.087 230 H VAL 30 H VAL 30 -0.489 -3.104 2.651 231 HA VAL 30 HA VAL 30 -1.177 -5.535 4.219 232 HB VAL 30 HB VAL 30 -2.249 -5.711 2.081 233 1HG1 VAL 30 1HG1 VAL 30 -0.923 -5.531 -0.026 234 2HG1 VAL 30 2HG1 VAL 30 0.463 -5.007 0.931 235 3HG1 VAL 30 3HG1 VAL 30 -0.991 -4.010 0.864 236 1HG2 VAL 30 1HG2 VAL 30 -0.913 -7.651 3.015 237 2HG2 VAL 30 2HG2 VAL 30 0.293 -7.260 1.788 238 3HG2 VAL 30 3HG2 VAL 30 -1.343 -7.722 1.307 239 H HIS 31 H HIS 31 0.577 -7.131 4.167 240 HA HIS 31 HA HIS 31 3.103 -6.056 4.905 241 1HB HIS 31 2HB HIS 31 1.756 -8.555 4.737 242 2HB HIS 31 1HB HIS 31 3.315 -8.756 3.938 243 HD1 HIS 31 1HD HIS 31 1.853 -7.580 7.241 244 HD2 HIS 31 2HD HIS 31 5.495 -8.868 5.675 245 HE1 HIS 31 1HE HIS 31 3.431 -7.824 9.206 246 HA PRO 32 HA PRO 32 5.072 -5.385 1.025 247 1HB PRO 32 2HB PRO 32 7.676 -5.573 1.833 248 2HB PRO 32 1HB PRO 32 6.644 -4.187 2.217 249 1HG PRO 32 2HG PRO 32 7.413 -6.490 3.926 250 2HG PRO 32 1HG PRO 32 7.225 -4.783 4.352 251 1HD PRO 32 2HD PRO 32 5.353 -6.699 4.893 252 2HD PRO 32 1HD PRO 32 4.971 -4.978 4.670 253 H LYS 33 H LYS 33 4.145 -7.684 0.527 254 HA LYS 33 HA LYS 33 6.193 -9.306 -0.659 255 1HB LYS 33 2HB LYS 33 5.792 -11.249 1.027 256 2HB LYS 33 1HB LYS 33 6.848 -9.930 1.531 257 1HG LYS 33 2HG LYS 33 5.490 -9.503 3.273 258 2HG LYS 33 1HG LYS 33 4.156 -9.193 2.171 259 1HD LYS 33 2HD LYS 33 4.871 -12.045 2.668 260 2HD LYS 33 1HD LYS 33 4.070 -11.175 3.977 261 1HE LYS 33 2HE LYS 33 2.359 -10.416 2.193 262 2HE LYS 33 1HE LYS 33 3.041 -11.709 1.184 263 1HZ LYS 33 1HZ LYS 33 2.376 -12.269 3.993 264 2HZ LYS 33 2HZ LYS 33 2.422 -13.329 2.666 265 3HZ LYS 33 3HZ LYS 33 1.126 -12.246 2.846 266 H ALA 34 H ALA 34 2.951 -9.165 0.756 267 HA ALA 34 HA ALA 34 1.691 -11.375 -0.351 268 1HB ALA 34 1HB ALA 34 0.852 -8.509 0.087 269 2HB ALA 34 2HB ALA 34 0.477 -9.923 1.073 270 3HB ALA 34 3HB ALA 34 -0.297 -9.712 -0.498 271 H THR 35 H THR 35 2.480 -11.939 -2.446 272 HA THR 35 HA THR 35 2.989 -10.395 -4.678 273 HB THR 35 HB THR 35 1.622 -12.543 -5.725 274 HG1 THR 35 1HG THR 35 1.939 -14.213 -4.215 275 1HG2 THR 35 1HG2 THR 35 4.346 -12.721 -4.422 276 2HG2 THR 35 2HG2 THR 35 4.054 -11.881 -5.944 277 3HG2 THR 35 3HG2 THR 35 3.770 -13.618 -5.826 278 H LYS 36 H LYS 36 1.555 -10.030 -6.642 279 HA LYS 36 HA LYS 36 -0.734 -8.440 -5.980 280 1HB LYS 36 2HB LYS 36 0.147 -9.744 -8.577 281 2HB LYS 36 1HB LYS 36 -1.007 -8.415 -8.450 282 1HG LYS 36 2HG LYS 36 1.048 -7.388 -7.012 283 2HG LYS 36 1HG LYS 36 1.945 -8.390 -8.153 284 1HD LYS 36 2HD LYS 36 1.668 -6.794 -9.713 285 2HD LYS 36 1HD LYS 36 -0.071 -7.082 -9.651 286 1HE LYS 36 2HE LYS 36 -0.361 -5.415 -7.917 287 2HE LYS 36 1HE LYS 36 1.396 -5.233 -7.738 288 1HZ LYS 36 1HZ LYS 36 1.333 -4.786 -10.254 289 2HZ LYS 36 2HZ LYS 36 0.856 -3.539 -9.203 290 3HZ LYS 36 3HZ LYS 36 -0.315 -4.464 -10.016 291 H THR 37 H THR 37 -0.623 -11.571 -7.743 292 HA THR 37 HA THR 37 -3.412 -12.044 -7.751 293 HB THR 37 HB THR 37 -0.957 -13.721 -7.875 294 HG1 THR 37 1HG THR 37 -2.987 -13.438 -9.789 295 1HG2 THR 37 1HG2 THR 37 -2.455 -15.277 -6.901 296 2HG2 THR 37 2HG2 THR 37 -2.555 -15.585 -8.635 297 3HG2 THR 37 3HG2 THR 37 -3.818 -14.654 -7.832 298 H GLU 38 H GLU 38 -0.942 -12.905 -5.338 299 HA GLU 38 HA GLU 38 -2.496 -14.550 -3.641 300 1HB GLU 38 2HB GLU 38 -0.104 -12.810 -3.487 301 2HB GLU 38 1HB GLU 38 -0.875 -13.149 -1.938 302 1HG GLU 38 2HG GLU 38 -0.887 -15.618 -2.701 303 2HG GLU 38 1HG GLU 38 0.279 -15.106 -3.921 304 H ILE 39 H ILE 39 -2.117 -11.001 -3.626 305 HA ILE 39 HA ILE 39 -3.750 -10.384 -1.395 306 HB ILE 39 HB ILE 39 -2.935 -9.046 -3.969 307 1HG1 ILE 39 2HG1 ILE 39 -2.456 -8.283 -1.077 308 2HG1 ILE 39 1HG1 ILE 39 -1.391 -9.359 -1.983 309 1HG2 ILE 39 1HG2 ILE 39 -5.264 -8.259 -3.336 310 2HG2 ILE 39 2HG2 ILE 39 -4.034 -6.998 -3.359 311 3HG2 ILE 39 3HG2 ILE 39 -4.572 -7.674 -1.824 312 1HD1 ILE 39 1HD1 ILE 39 -1.127 -6.629 -1.905 313 2HD1 ILE 39 2HD1 ILE 39 -2.055 -6.854 -3.387 314 3HD1 ILE 39 3HD1 ILE 39 -0.498 -7.657 -3.193 315 H LYS 40 H LYS 40 -4.590 -11.235 -4.705 316 HA LYS 40 HA LYS 40 -7.266 -10.344 -4.878 317 1HB LYS 40 2HB LYS 40 -5.785 -11.323 -6.651 318 2HB LYS 40 1HB LYS 40 -6.039 -12.909 -5.928 319 1HG LYS 40 2HG LYS 40 -8.603 -12.162 -6.153 320 2HG LYS 40 1HG LYS 40 -7.932 -11.222 -7.486 321 1HD LYS 40 2HD LYS 40 -7.013 -14.037 -7.299 322 2HD LYS 40 1HD LYS 40 -8.704 -13.804 -7.748 323 1HE LYS 40 2HE LYS 40 -6.847 -11.988 -9.149 324 2HE LYS 40 1HE LYS 40 -6.617 -13.704 -9.535 325 1HZ LYS 40 1HZ LYS 40 -8.465 -12.321 -10.741 326 2HZ LYS 40 2HZ LYS 40 -9.350 -12.653 -9.329 327 3HZ LYS 40 3HZ LYS 40 -8.754 -13.928 -10.282 328 H ASN 41 H ASN 41 -6.058 -13.499 -3.727 329 HA ASN 41 HA ASN 41 -8.542 -14.741 -3.217 330 1HB ASN 41 2HB ASN 41 -5.746 -14.970 -2.136 331 2HB ASN 41 1HB ASN 41 -7.029 -15.997 -1.491 332 1HD2 ASN 41 1HD2 ASN 41 -5.504 -15.052 -4.613 333 2HD2 ASN 41 2HD2 ASN 41 -5.834 -16.525 -5.391 334 H ALA 42 H ALA 42 -6.550 -12.831 -0.901 335 HA ALA 42 HA ALA 42 -8.187 -13.253 1.371 336 1HB ALA 42 1HB ALA 42 -5.999 -11.571 0.512 337 2HB ALA 42 2HB ALA 42 -6.385 -12.141 2.138 338 3HB ALA 42 3HB ALA 42 -7.112 -10.652 1.528 339 H VAL 43 H VAL 43 -8.399 -10.510 -0.980 340 HA VAL 43 HA VAL 43 -10.727 -9.418 0.386 341 HB VAL 43 HB VAL 43 -10.831 -8.002 -1.697 342 1HG1 VAL 43 1HG1 VAL 43 -8.340 -7.191 -1.340 343 2HG1 VAL 43 2HG1 VAL 43 -8.380 -8.350 -0.012 344 3HG1 VAL 43 3HG1 VAL 43 -9.533 -7.015 -0.053 345 1HG2 VAL 43 1HG2 VAL 43 -8.243 -8.841 -2.701 346 2HG2 VAL 43 2HG2 VAL 43 -9.763 -8.630 -3.574 347 3HG2 VAL 43 3HG2 VAL 43 -9.404 -10.167 -2.787 348 H GLU 44 H GLU 44 -10.252 -11.732 -2.240 349 HA GLU 44 HA GLU 44 -12.835 -11.681 -3.412 350 1HB GLU 44 2HB GLU 44 -10.477 -13.250 -3.447 351 2HB GLU 44 1HB GLU 44 -11.799 -14.367 -3.108 352 1HG GLU 44 2HG GLU 44 -12.292 -12.347 -5.233 353 2HG GLU 44 1HG GLU 44 -11.136 -13.624 -5.617 354 H THR 45 H THR 45 -11.642 -13.721 -0.719 355 HA THR 45 HA THR 45 -14.340 -14.646 -0.048 356 HB THR 45 HB THR 45 -13.133 -15.883 1.670 357 HG1 THR 45 1HG THR 45 -11.484 -14.973 2.551 358 1HG2 THR 45 1HG2 THR 45 -11.515 -17.057 0.293 359 2HG2 THR 45 2HG2 THR 45 -11.383 -15.675 -0.794 360 3HG2 THR 45 3HG2 THR 45 -12.884 -16.597 -0.719 361 H ALA 46 H ALA 46 -11.906 -12.491 1.429 362 HA ALA 46 HA ALA 46 -13.330 -11.767 3.770 363 1HB ALA 46 1HB ALA 46 -11.413 -10.190 2.023 364 2HB ALA 46 2HB ALA 46 -10.961 -11.292 3.324 365 3HB ALA 46 3HB ALA 46 -11.813 -9.793 3.694 366 H PHE 47 H PHE 47 -13.009 -9.686 0.855 367 HA PHE 47 HA PHE 47 -15.259 -8.033 1.620 368 1HB PHE 47 2HB PHE 47 -13.493 -8.393 -0.790 369 2HB PHE 47 1HB PHE 47 -14.893 -7.324 -0.877 370 HD1 PHE 47 1HD PHE 47 -15.157 -5.650 1.160 371 HD2 PHE 47 2HD PHE 47 -11.472 -7.524 -0.005 372 HE1 PHE 47 1HE PHE 47 -13.882 -3.880 2.340 373 HE2 PHE 47 2HE PHE 47 -10.198 -5.753 1.173 374 HZ PHE 47 HZ PHE 47 -11.403 -3.931 2.346 375 H LYS 48 H LYS 48 -14.943 -11.034 -0.064 376 HA LYS 48 HA LYS 48 -16.597 -12.482 -0.920 377 1HB LYS 48 2HB LYS 48 -17.857 -10.685 0.923 378 2HB LYS 48 1HB LYS 48 -18.948 -10.927 -0.442 379 1HG LYS 48 2HG LYS 48 -17.642 -13.395 0.489 380 2HG LYS 48 1HG LYS 48 -18.701 -12.651 1.687 381 1HD LYS 48 2HD LYS 48 -20.465 -12.490 -0.136 382 2HD LYS 48 1HD LYS 48 -19.418 -13.510 -1.126 383 1HE LYS 48 2HE LYS 48 -19.426 -15.187 0.799 384 2HE LYS 48 1HE LYS 48 -20.733 -14.220 1.512 385 1HZ LYS 48 1HZ LYS 48 -21.340 -16.102 -0.131 386 2HZ LYS 48 2HZ LYS 48 -20.842 -15.002 -1.328 387 3HZ LYS 48 3HZ LYS 48 -22.118 -14.601 -0.278 388 H VAL 49 H VAL 49 -15.337 -10.751 -2.706 389 HA VAL 49 HA VAL 49 -17.545 -10.183 -4.624 390 HB VAL 49 HB VAL 49 -16.126 -8.310 -3.222 391 1HG1 VAL 49 1HG1 VAL 49 -14.865 -8.160 -5.936 392 2HG1 VAL 49 2HG1 VAL 49 -14.105 -9.139 -4.681 393 3HG1 VAL 49 3HG1 VAL 49 -14.350 -7.411 -4.425 394 1HG2 VAL 49 1HG2 VAL 49 -17.589 -7.027 -4.311 395 2HG2 VAL 49 2HG2 VAL 49 -17.997 -8.435 -5.291 396 3HG2 VAL 49 3HG2 VAL 49 -16.764 -7.304 -5.845 397 H LYS 50 H LYS 50 -15.978 -9.411 -6.756 398 HA LYS 50 HA LYS 50 -14.269 -11.830 -7.253 399 1HB LYS 50 2HB LYS 50 -16.625 -11.068 -8.477 400 2HB LYS 50 1HB LYS 50 -15.403 -10.416 -9.574 401 1HG LYS 50 2HG LYS 50 -14.723 -13.100 -8.654 402 2HG LYS 50 1HG LYS 50 -16.277 -13.063 -9.490 403 1HD LYS 50 2HD LYS 50 -15.140 -11.752 -11.336 404 2HD LYS 50 1HD LYS 50 -13.606 -12.092 -10.534 405 1HE LYS 50 2HE LYS 50 -14.239 -13.731 -12.387 406 2HE LYS 50 1HE LYS 50 -13.915 -14.483 -10.812 407 1HZ LYS 50 1HZ LYS 50 -16.625 -13.518 -11.290 408 2HZ LYS 50 2HZ LYS 50 -16.098 -14.892 -10.441 409 3HZ LYS 50 3HZ LYS 50 -16.161 -14.911 -12.139 410 H VAL 51 H VAL 51 -12.162 -11.124 -7.184 411 HA VAL 51 HA VAL 51 -11.424 -8.374 -7.843 412 HB VAL 51 HB VAL 51 -9.839 -10.902 -7.288 413 1HG1 VAL 51 1HG1 VAL 51 -8.227 -9.549 -8.257 414 2HG1 VAL 51 2HG1 VAL 51 -8.159 -8.948 -6.600 415 3HG1 VAL 51 3HG1 VAL 51 -9.068 -8.062 -7.823 416 1HG2 VAL 51 1HG2 VAL 51 -9.544 -9.765 -5.045 417 2HG2 VAL 51 2HG2 VAL 51 -11.193 -10.291 -5.382 418 3HG2 VAL 51 3HG2 VAL 51 -10.757 -8.590 -5.553 419 H VAL 52 H VAL 52 -10.622 -7.648 -9.795 420 HA VAL 52 HA VAL 52 -10.225 -9.696 -11.946 421 HB VAL 52 HB VAL 52 -12.225 -8.162 -12.066 422 1HG1 VAL 52 1HG1 VAL 52 -10.577 -6.203 -11.229 423 2HG1 VAL 52 2HG1 VAL 52 -12.060 -5.904 -12.141 424 3HG1 VAL 52 3HG1 VAL 52 -10.502 -5.939 -12.970 425 1HG2 VAL 52 1HG2 VAL 52 -10.735 -7.265 -14.389 426 2HG2 VAL 52 2HG2 VAL 52 -12.093 -8.393 -14.299 427 3HG2 VAL 52 3HG2 VAL 52 -10.443 -8.969 -14.046 428 H LYS 53 H LYS 53 -8.689 -7.391 -10.022 429 HA LYS 53 HA LYS 53 -6.164 -7.683 -11.362 430 1HB LYS 53 2HB LYS 53 -6.121 -5.862 -12.768 431 2HB LYS 53 1HB LYS 53 -7.871 -6.040 -12.712 432 1HG LYS 53 2HG LYS 53 -7.827 -4.497 -10.697 433 2HG LYS 53 1HG LYS 53 -6.156 -4.140 -11.117 434 1HD LYS 53 2HD LYS 53 -7.649 -3.943 -13.519 435 2HD LYS 53 1HD LYS 53 -8.562 -3.071 -12.287 436 1HE LYS 53 2HE LYS 53 -6.739 -1.613 -11.809 437 2HE LYS 53 1HE LYS 53 -5.584 -2.658 -12.659 438 1HZ LYS 53 1HZ LYS 53 -6.432 -0.682 -13.957 439 2HZ LYS 53 2HZ LYS 53 -7.941 -1.462 -14.000 440 3HZ LYS 53 3HZ LYS 53 -6.584 -2.188 -14.721 441 H VAL 54 H VAL 54 -4.619 -7.249 -9.795 442 HA VAL 54 HA VAL 54 -5.420 -5.405 -7.572 443 HB VAL 54 HB VAL 54 -4.644 -8.205 -7.606 444 1HG1 VAL 54 1HG1 VAL 54 -3.089 -8.075 -5.639 445 2HG1 VAL 54 2HG1 VAL 54 -2.976 -6.334 -5.893 446 3HG1 VAL 54 3HG1 VAL 54 -2.375 -7.447 -7.124 447 1HG2 VAL 54 1HG2 VAL 54 -5.121 -6.913 -5.020 448 2HG2 VAL 54 2HG2 VAL 54 -6.034 -8.196 -5.821 449 3HG2 VAL 54 3HG2 VAL 54 -6.339 -6.508 -6.230 450 H ASN 55 H ASN 55 -4.131 -3.631 -7.561 451 HA ASN 55 HA ASN 55 -1.308 -3.933 -8.513 452 1HB ASN 55 2HB ASN 55 -3.288 -2.398 -9.577 453 2HB ASN 55 1HB ASN 55 -2.611 -1.265 -8.407 454 1HD2 ASN 55 1HD2 ASN 55 -1.908 -3.088 -11.358 455 2HD2 ASN 55 2HD2 ASN 55 -0.442 -2.305 -11.704 456 H THR 56 H THR 56 0.041 -3.907 -6.773 457 HA THR 56 HA THR 56 -0.767 -2.275 -4.407 458 HB THR 56 HB THR 56 -0.148 -4.082 -3.186 459 HG1 THR 56 1HG THR 56 2.227 -4.372 -4.676 460 1HG2 THR 56 1HG2 THR 56 0.570 -5.406 -5.815 461 2HG2 THR 56 2HG2 THR 56 -1.053 -5.336 -5.125 462 3HG2 THR 56 3HG2 THR 56 0.222 -6.224 -4.292 463 H LEU 57 H LEU 57 0.732 -0.779 -3.551 464 HA LEU 57 HA LEU 57 3.168 -0.292 -5.240 465 1HB LEU 57 2HB LEU 57 2.691 2.071 -4.989 466 2HB LEU 57 1HB LEU 57 1.205 1.277 -5.508 467 HG LEU 57 HG LEU 57 1.264 1.135 -2.674 468 1HD1 LEU 57 1HD1 LEU 57 2.607 2.945 -2.230 469 2HD1 LEU 57 2HD1 LEU 57 1.112 3.826 -2.549 470 3HD1 LEU 57 3HD1 LEU 57 2.331 3.670 -3.814 471 1HD2 LEU 57 1HD2 LEU 57 -0.531 1.639 -4.699 472 2HD2 LEU 57 2HD2 LEU 57 -0.419 3.214 -3.912 473 3HD2 LEU 57 3HD2 LEU 57 -0.892 1.793 -2.979 474 H HIS 58 H HIS 58 4.947 0.787 -4.080 475 HA HIS 58 HA HIS 58 5.393 -0.294 -1.419 476 1HB HIS 58 2HB HIS 58 7.093 0.133 -3.251 477 2HB HIS 58 1HB HIS 58 6.908 1.858 -2.931 478 HD1 HIS 58 1HD HIS 58 9.509 -0.021 -2.367 479 HD2 HIS 58 2HD HIS 58 6.821 1.472 0.448 480 HE1 HIS 58 1HE HIS 58 10.733 0.001 -0.150 481 H VAL 59 H VAL 59 4.394 0.608 0.341 482 HA VAL 59 HA VAL 59 3.824 3.542 0.307 483 HB VAL 59 HB VAL 59 2.633 2.139 2.516 484 1HG1 VAL 59 1HG1 VAL 59 1.233 3.796 1.942 485 2HG1 VAL 59 2HG1 VAL 59 0.664 2.746 0.642 486 3HG1 VAL 59 3HG1 VAL 59 1.942 3.920 0.330 487 1HG2 VAL 59 1HG2 VAL 59 2.675 0.055 1.388 488 2HG2 VAL 59 2HG2 VAL 59 2.383 0.804 -0.181 489 3HG2 VAL 59 3HG2 VAL 59 1.085 0.713 1.007 490 H ARG 60 H ARG 60 4.698 4.870 1.879 491 HA ARG 60 HA ARG 60 6.290 3.595 4.068 492 1HB ARG 60 2HB ARG 60 7.249 5.912 2.371 493 2HB ARG 60 1HB ARG 60 8.200 4.903 3.461 494 1HG ARG 60 2HG ARG 60 8.741 4.006 1.365 495 2HG ARG 60 1HG ARG 60 7.437 2.945 1.899 496 1HD ARG 60 2HD ARG 60 6.112 3.589 0.172 497 2HD ARG 60 1HD ARG 60 6.397 5.304 0.525 498 HE ARG 60 HE ARG 60 8.533 3.727 -0.835 499 1HH1 ARG 60 1HH1 ARG 60 6.180 4.694 -2.547 500 2HH1 ARG 60 2HH1 ARG 60 6.813 6.186 -3.156 501 1HH2 ARG 60 1HH2 ARG 60 9.389 6.347 -0.840 502 2HH2 ARG 60 2HH2 ARG 60 8.630 7.122 -2.191 503 H GLY 61 H GLY 61 6.009 4.652 6.012 504 1HA GLY 61 2HA GLY 61 4.018 6.613 6.401 505 2HA GLY 61 1HA GLY 61 5.313 6.282 7.551 506 H LYS 62 H LYS 62 4.970 8.754 7.767 507 HA LYS 62 HA LYS 62 5.580 10.723 5.936 508 1HB LYS 62 2HB LYS 62 5.500 10.395 8.725 509 2HB LYS 62 1HB LYS 62 7.088 11.092 8.399 510 1HG LYS 62 2HG LYS 62 5.911 13.056 8.438 511 2HG LYS 62 1HG LYS 62 5.578 12.624 6.760 512 1HD LYS 62 2HD LYS 62 3.654 11.212 8.184 513 2HD LYS 62 1HD LYS 62 3.750 12.752 9.039 514 1HE LYS 62 2HE LYS 62 2.332 13.490 7.399 515 2HE LYS 62 1HE LYS 62 3.797 13.560 6.398 516 1HZ LYS 62 1HZ LYS 62 1.786 12.105 5.646 517 2HZ LYS 62 2HZ LYS 62 2.422 10.988 6.756 518 3HZ LYS 62 3HZ LYS 62 3.369 11.529 5.454 519 H LYS 63 H LYS 63 7.691 11.887 5.553 520 HA LYS 63 HA LYS 63 9.752 10.015 4.679 521 1HB LYS 63 2HB LYS 63 8.839 12.438 3.874 522 2HB LYS 63 1HB LYS 63 10.248 12.945 4.804 523 1HG LYS 63 2HG LYS 63 11.739 11.914 3.376 524 2HG LYS 63 1HG LYS 63 10.589 10.658 2.915 525 1HD LYS 63 2HD LYS 63 9.378 12.176 1.492 526 2HD LYS 63 1HD LYS 63 10.293 13.558 2.097 527 1HE LYS 63 2HE LYS 63 12.392 12.398 1.195 528 2HE LYS 63 1HE LYS 63 11.289 11.301 0.338 529 1HZ LYS 63 1HZ LYS 63 11.904 13.331 -0.947 530 2HZ LYS 63 2HZ LYS 63 11.092 14.262 0.218 531 3HZ LYS 63 3HZ LYS 63 10.236 13.134 -0.721 532 H LYS 64 H LYS 64 11.876 12.085 5.356 533 HA LYS 64 HA LYS 64 13.555 12.278 7.012 534 1HB LYS 64 2HB LYS 64 10.972 12.319 8.602 535 2HB LYS 64 1HB LYS 64 12.541 12.768 9.273 536 1HG LYS 64 2HG LYS 64 11.193 14.082 6.894 537 2HG LYS 64 1HG LYS 64 11.325 14.769 8.513 538 1HD LYS 64 2HD LYS 64 13.234 15.722 7.739 539 2HD LYS 64 1HD LYS 64 13.938 14.121 7.962 540 1HE LYS 64 2HE LYS 64 12.852 13.743 5.527 541 2HE LYS 64 1HE LYS 64 13.138 15.492 5.439 542 1HZ LYS 64 1HZ LYS 64 15.136 14.376 4.780 543 2HZ LYS 64 2HZ LYS 64 15.114 13.397 6.169 544 3HZ LYS 64 3HZ LYS 64 15.400 15.066 6.306 545 H ARG 65 H ARG 65 14.386 10.085 6.659 546 HA ARG 65 HA ARG 65 13.324 7.898 8.337 547 1HB ARG 65 2HB ARG 65 14.414 8.021 5.869 548 2HB ARG 65 1HB ARG 65 15.870 7.681 6.804 549 1HG ARG 65 2HG ARG 65 14.955 5.552 6.193 550 2HG ARG 65 1HG ARG 65 14.576 5.781 7.899 551 1HD ARG 65 2HD ARG 65 12.553 4.996 6.817 552 2HD ARG 65 1HD ARG 65 12.321 6.725 7.147 553 HE ARG 65 HE ARG 65 13.576 6.484 4.606 554 1HH1 ARG 65 1HH1 ARG 65 10.905 7.848 5.475 555 2HH1 ARG 65 2HH1 ARG 65 9.810 7.082 4.375 556 1HH2 ARG 65 1HH2 ARG 65 12.038 4.578 3.484 557 2HH2 ARG 65 2HH2 ARG 65 10.451 5.230 3.247 558 H LEU 66 H LEU 66 15.530 10.441 8.728 559 HA LEU 66 HA LEU 66 17.774 9.533 10.025 560 1HB LEU 66 2HB LEU 66 15.997 11.844 10.130 561 2HB LEU 66 1HB LEU 66 16.797 11.566 11.677 562 HG LEU 66 HG LEU 66 18.984 11.515 10.556 563 1HD1 LEU 66 1HD1 LEU 66 18.029 10.618 8.382 564 2HD1 LEU 66 2HD1 LEU 66 19.214 11.912 8.195 565 3HD1 LEU 66 3HD1 LEU 66 17.493 12.261 8.027 566 1HD2 LEU 66 1HD2 LEU 66 18.964 13.915 9.710 567 2HD2 LEU 66 2HD2 LEU 66 18.290 13.686 11.324 568 3HD2 LEU 66 3HD2 LEU 66 17.216 13.898 9.941 569 H GLY 67 H GLY 67 17.436 7.517 11.126 570 1HA GLY 67 2HA GLY 67 15.406 7.111 13.088 571 2HA GLY 67 1HA GLY 67 16.847 6.120 12.904 572 H ARG 68 H ARG 68 16.164 9.501 13.921 573 HA ARG 68 HA ARG 68 18.017 9.037 16.212 574 1HB ARG 68 2HB ARG 68 17.370 11.787 15.305 575 2HB ARG 68 1HB ARG 68 18.927 11.125 15.797 576 1HG ARG 68 2HG ARG 68 17.563 10.469 13.174 577 2HG ARG 68 1HG ARG 68 18.782 11.733 13.352 578 1HD ARG 68 2HD ARG 68 20.083 9.658 14.541 579 2HD ARG 68 1HD ARG 68 19.125 8.786 13.327 580 HE ARG 68 HE ARG 68 20.288 11.150 12.162 581 1HH1 ARG 68 1HH2 ARG 68 20.237 8.546 10.752 582 2HH1 ARG 68 2HH2 ARG 68 21.901 8.064 10.777 583 1HH2 ARG 68 1HH1 ARG 68 22.782 10.290 13.288 584 2HH2 ARG 68 2HH1 ARG 68 23.342 9.052 12.212 585 H TYR 69 H TYR 69 15.016 8.854 15.688 586 HA TYR 69 HA TYR 69 14.187 9.960 18.299 587 1HB TYR 69 2HB TYR 69 13.913 11.859 16.830 588 2HB TYR 69 1HB TYR 69 13.126 10.859 15.609 589 HD1 TYR 69 1HD TYR 69 10.961 11.829 15.465 590 HD2 TYR 69 2HD TYR 69 12.596 10.785 19.298 591 HE1 TYR 69 1HE TYR 69 8.761 12.265 16.522 592 HE2 TYR 69 2HE TYR 69 10.396 11.221 20.355 593 HH TYR 69 HH TYR 69 7.607 11.322 18.818 594 H LEU 70 H LEU 70 14.330 7.298 17.734 595 HA LEU 70 HA LEU 70 13.072 5.304 17.431 596 1HB LEU 70 2HB LEU 70 12.080 7.094 19.368 597 2HB LEU 70 1HB LEU 70 10.666 6.432 18.552 598 HG LEU 70 HG LEU 70 11.192 4.948 20.381 599 1HD1 LEU 70 1HD1 LEU 70 10.703 3.254 18.982 600 2HD1 LEU 70 2HD1 LEU 70 12.418 3.116 18.594 601 3HD1 LEU 70 3HD1 LEU 70 11.373 4.152 17.621 602 1HD2 LEU 70 1HD2 LEU 70 13.951 4.497 19.254 603 2HD2 LEU 70 2HD2 LEU 70 13.351 4.155 20.877 604 3HD2 LEU 70 3HD2 LEU 70 13.655 5.821 20.382 605 H GLY 71 H GLY 71 12.999 6.943 15.139 606 1HA GLY 71 2HA GLY 71 10.166 6.758 14.222 607 2HA GLY 71 1HA GLY 71 11.401 7.762 13.462 608 H LYS 72 H LYS 72 12.370 6.929 11.675 609 HA LYS 72 HA LYS 72 13.080 5.346 10.069 610 1HB LYS 72 2HB LYS 72 13.305 4.159 12.721 611 2HB LYS 72 1HB LYS 72 13.000 2.931 11.493 612 1HG LYS 72 2HG LYS 72 14.844 4.171 10.132 613 2HG LYS 72 1HG LYS 72 15.294 4.870 11.688 614 1HD LYS 72 2HD LYS 72 14.853 2.014 11.935 615 2HD LYS 72 1HD LYS 72 16.061 2.357 10.696 616 1HE LYS 72 2HE LYS 72 16.356 3.975 13.153 617 2HE LYS 72 1HE LYS 72 16.635 2.236 13.370 618 1HZ LYS 72 1HZ LYS 72 18.001 2.343 11.293 619 2HZ LYS 72 2HZ LYS 72 18.671 3.161 12.623 620 3HZ LYS 72 3HZ LYS 72 17.907 4.035 11.382 621 H ARG 73 H ARG 73 10.725 5.858 9.308 622 HA ARG 73 HA ARG 73 8.454 4.323 9.747 623 1HB ARG 73 2HB ARG 73 9.648 5.907 7.600 624 2HB ARG 73 1HB ARG 73 8.592 4.640 6.974 625 1HG ARG 73 2HG ARG 73 7.381 6.779 7.453 626 2HG ARG 73 1HG ARG 73 6.757 5.408 8.372 627 1HD ARG 73 2HD ARG 73 8.234 6.120 10.297 628 2HD ARG 73 1HD ARG 73 8.611 7.592 9.379 629 HE ARG 73 HE ARG 73 5.926 7.655 9.249 630 1HH1 ARG 73 1HH1 ARG 73 7.125 5.858 11.786 631 2HH1 ARG 73 2HH1 ARG 73 6.431 6.824 13.045 632 1HH2 ARG 73 1HH2 ARG 73 5.407 9.351 10.904 633 2HH2 ARG 73 2HH2 ARG 73 5.458 8.802 12.546 634 HA PRO 74 HA PRO 74 9.723 0.233 8.625 635 1HB PRO 74 2HB PRO 74 7.250 -0.912 8.558 636 2HB PRO 74 1HB PRO 74 8.078 -0.505 10.074 637 1HG PRO 74 2HG PRO 74 5.912 0.949 8.652 638 2HG PRO 74 1HG PRO 74 6.159 0.711 10.389 639 1HD PRO 74 2HD PRO 74 6.769 3.028 9.070 640 2HD PRO 74 1HD PRO 74 7.579 2.497 10.561 641 H ASP 75 H ASP 75 8.382 -1.485 6.990 642 HA ASP 75 HA ASP 75 8.173 0.000 4.407 643 1HB ASP 75 2HB ASP 75 9.581 -2.423 5.338 644 2HB ASP 75 1HB ASP 75 8.743 -2.624 3.799 645 H ARG 76 H ARG 76 5.886 0.251 4.660 646 HA ARG 76 HA ARG 76 4.227 -2.203 4.873 647 1HB ARG 76 2HB ARG 76 2.411 -0.619 5.186 648 2HB ARG 76 1HB ARG 76 3.773 -0.077 6.159 649 1HG ARG 76 2HG ARG 76 3.851 0.984 3.439 650 2HG ARG 76 1HG ARG 76 2.402 1.466 4.317 651 1HD ARG 76 2HD ARG 76 5.135 1.678 5.596 652 2HD ARG 76 1HD ARG 76 4.472 2.986 4.595 653 HE ARG 76 HE ARG 76 3.633 2.430 7.259 654 1HH1 ARG 76 1HH1 ARG 76 2.900 4.905 5.726 655 2HH1 ARG 76 2HH1 ARG 76 1.183 4.737 5.571 656 1HH2 ARG 76 1HH2 ARG 76 1.174 1.362 6.368 657 2HH2 ARG 76 2HH2 ARG 76 0.206 2.733 5.936 658 H LYS 77 H LYS 77 2.701 -2.761 3.196 659 HA LYS 77 HA LYS 77 3.331 -1.557 0.518 660 1HB LYS 77 2HB LYS 77 4.213 -3.775 0.633 661 2HB LYS 77 1HB LYS 77 2.767 -4.384 1.440 662 1HG LYS 77 2HG LYS 77 1.440 -4.026 -0.573 663 2HG LYS 77 1HG LYS 77 2.819 -3.283 -1.384 664 1HD LYS 77 2HD LYS 77 3.941 -5.306 -1.627 665 2HD LYS 77 1HD LYS 77 3.116 -6.045 -0.255 666 1HE LYS 77 2HE LYS 77 1.556 -6.925 -1.640 667 2HE LYS 77 1HE LYS 77 1.174 -5.311 -2.269 668 1HZ LYS 77 1HZ LYS 77 3.354 -7.121 -3.148 669 2HZ LYS 77 2HZ LYS 77 3.276 -5.482 -3.588 670 3HZ LYS 77 3HZ LYS 77 2.051 -6.554 -4.073 671 H LYS 78 H LYS 78 1.555 -0.905 -0.700 672 HA LYS 78 HA LYS 78 -1.120 -1.263 0.565 673 1HB LYS 78 2HB LYS 78 0.332 0.885 -0.699 674 2HB LYS 78 1HB LYS 78 -1.186 0.613 -1.556 675 1HG LYS 78 2HG LYS 78 -2.019 0.436 1.039 676 2HG LYS 78 1HG LYS 78 -0.727 1.627 1.181 677 1HD LYS 78 2HD LYS 78 -2.194 2.288 -1.156 678 2HD LYS 78 1HD LYS 78 -3.375 1.979 0.119 679 1HE LYS 78 2HE LYS 78 -2.727 3.813 1.334 680 2HE LYS 78 1HE LYS 78 -1.014 3.597 0.926 681 1HZ LYS 78 1HZ LYS 78 -1.463 4.351 -1.310 682 2HZ LYS 78 2HZ LYS 78 -1.981 5.532 -0.204 683 3HZ LYS 78 3HZ LYS 78 -3.115 4.520 -0.964 684 H ALA 79 H ALA 79 -2.917 -1.982 -0.779 685 HA ALA 79 HA ALA 79 -2.090 -3.170 -3.411 686 1HB ALA 79 1HB ALA 79 -2.617 -4.550 -1.150 687 2HB ALA 79 2HB ALA 79 -2.940 -5.180 -2.769 688 3HB ALA 79 3HB ALA 79 -4.242 -4.428 -1.833 689 H ILE 80 H ILE 80 -3.344 -2.549 -5.092 690 HA ILE 80 HA ILE 80 -6.034 -1.384 -4.498 691 HB ILE 80 HB ILE 80 -3.976 -0.994 -6.674 692 1HG1 ILE 80 2HG1 ILE 80 -4.145 1.331 -5.977 693 2HG1 ILE 80 1HG1 ILE 80 -5.469 0.947 -4.885 694 1HG2 ILE 80 1HG2 ILE 80 -5.911 0.695 -7.435 695 2HG2 ILE 80 2HG2 ILE 80 -6.926 -0.567 -6.737 696 3HG2 ILE 80 3HG2 ILE 80 -5.820 -0.953 -8.055 697 1HD1 ILE 80 1HD1 ILE 80 -2.863 -0.504 -4.590 698 2HD1 ILE 80 2HD1 ILE 80 -4.082 -0.135 -3.370 699 3HD1 ILE 80 3HD1 ILE 80 -3.011 1.136 -3.957 700 H VAL 81 H VAL 81 -7.560 -2.949 -4.804 701 HA VAL 81 HA VAL 81 -7.129 -4.965 -6.973 702 HB VAL 81 HB VAL 81 -9.110 -5.025 -4.687 703 1HG1 VAL 81 1HG1 VAL 81 -9.684 -6.818 -5.998 704 2HG1 VAL 81 2HG1 VAL 81 -8.350 -7.575 -5.128 705 3HG1 VAL 81 3HG1 VAL 81 -8.089 -6.916 -6.742 706 1HG2 VAL 81 1HG2 VAL 81 -6.203 -5.174 -4.611 707 2HG2 VAL 81 2HG2 VAL 81 -6.937 -6.673 -4.043 708 3HG2 VAL 81 3HG2 VAL 81 -7.352 -5.142 -3.274 709 H GLN 82 H GLN 82 -8.588 -5.107 -8.670 710 HA GLN 82 HA GLN 82 -10.915 -3.216 -8.622 711 1HB GLN 82 2HB GLN 82 -8.998 -3.089 -10.371 712 2HB GLN 82 1HB GLN 82 -9.680 -4.567 -11.019 713 1HG GLN 82 2HG GLN 82 -11.137 -3.323 -12.173 714 2HG GLN 82 1HG GLN 82 -11.871 -2.886 -10.633 715 1HE2 GLN 82 1HE2 GLN 82 -12.339 -0.691 -11.448 716 2HE2 GLN 82 2HE2 GLN 82 -11.096 0.451 -11.620 717 H VAL 83 H VAL 83 -12.932 -4.097 -9.447 718 HA VAL 83 HA VAL 83 -12.917 -7.078 -9.476 719 HB VAL 83 HB VAL 83 -15.058 -7.041 -8.453 720 1HG1 VAL 83 1HG1 VAL 83 -13.242 -4.912 -7.307 721 2HG1 VAL 83 2HG1 VAL 83 -13.422 -6.585 -6.782 722 3HG1 VAL 83 3HG1 VAL 83 -14.718 -5.427 -6.489 723 1HG2 VAL 83 1HG2 VAL 83 -15.993 -5.264 -9.900 724 2HG2 VAL 83 2HG2 VAL 83 -15.102 -4.050 -8.970 725 3HG2 VAL 83 3HG2 VAL 83 -16.384 -4.989 -8.198 726 H ALA 84 H ALA 84 -14.398 -8.035 -11.000 727 HA ALA 84 HA ALA 84 -14.339 -6.921 -13.594 728 1HB ALA 84 1HB ALA 84 -15.403 -9.167 -12.141 729 2HB ALA 84 2HB ALA 84 -14.933 -9.068 -13.843 730 3HB ALA 84 3HB ALA 84 -16.570 -8.625 -13.348 731 HA PRO 85 HA PRO 85 -17.806 -4.260 -13.902 732 1HB PRO 85 2HB PRO 85 -19.291 -5.239 -15.986 733 2HB PRO 85 1HB PRO 85 -17.733 -4.437 -16.205 734 1HG PRO 85 2HG PRO 85 -18.376 -7.306 -16.225 735 2HG PRO 85 1HG PRO 85 -17.228 -6.408 -17.213 736 1HD PRO 85 2HD PRO 85 -16.497 -7.947 -15.074 737 2HD PRO 85 1HD PRO 85 -15.568 -6.552 -15.640 738 H GLY 86 H GLY 86 -19.813 -4.007 -12.931 739 1HA GLY 86 2HA GLY 86 -22.015 -4.690 -12.243 740 2HA GLY 86 1HA GLY 86 -21.581 -6.361 -12.606 741 H GLN 87 H GLN 87 -18.958 -5.909 -11.116 742 HA GLN 87 HA GLN 87 -19.993 -6.682 -8.465 743 1HB GLN 87 2HB GLN 87 -17.317 -6.576 -9.856 744 2HB GLN 87 1HB GLN 87 -17.435 -6.947 -8.136 745 1HG GLN 87 2HG GLN 87 -18.481 -8.968 -8.498 746 2HG GLN 87 1HG GLN 87 -19.233 -8.426 -10.000 747 1HE2 GLN 87 1HE2 GLN 87 -18.314 -10.573 -10.851 748 2HE2 GLN 87 2HE2 GLN 87 -16.706 -10.584 -11.394 749 H LYS 88 H LYS 88 -18.898 -5.690 -6.499 750 HA LYS 88 HA LYS 88 -17.618 -3.126 -6.591 751 1HB LYS 88 2HB LYS 88 -20.305 -3.096 -7.330 752 2HB LYS 88 1HB LYS 88 -20.330 -2.578 -5.645 753 1HG LYS 88 2HG LYS 88 -18.681 -1.365 -7.881 754 2HG LYS 88 1HG LYS 88 -20.056 -0.622 -7.064 755 1HD LYS 88 2HD LYS 88 -18.838 -0.082 -5.208 756 2HD LYS 88 1HD LYS 88 -17.861 -1.548 -5.299 757 1HE LYS 88 2HE LYS 88 -16.213 -0.135 -6.026 758 2HE LYS 88 1HE LYS 88 -17.077 -0.196 -7.576 759 1HZ LYS 88 1HZ LYS 88 -18.573 1.557 -6.286 760 2HZ LYS 88 2HZ LYS 88 -17.229 2.021 -7.216 761 3HZ LYS 88 3HZ LYS 88 -17.092 1.881 -5.528 762 H ILE 89 H ILE 89 -16.511 -3.341 -4.669 763 HA ILE 89 HA ILE 89 -17.622 -4.817 -2.399 764 HB ILE 89 HB ILE 89 -15.164 -3.048 -2.630 765 1HG1 ILE 89 2HG1 ILE 89 -15.644 -5.958 -3.319 766 2HG1 ILE 89 1HG1 ILE 89 -15.001 -4.693 -4.366 767 1HG2 ILE 89 1HG2 ILE 89 -15.561 -5.451 -0.849 768 2HG2 ILE 89 2HG2 ILE 89 -16.046 -3.836 -0.331 769 3HG2 ILE 89 3HG2 ILE 89 -14.356 -4.170 -0.710 770 1HD1 ILE 89 1HD1 ILE 89 -13.619 -5.673 -1.851 771 2HD1 ILE 89 2HD1 ILE 89 -12.968 -4.554 -3.046 772 3HD1 ILE 89 3HD1 ILE 89 -13.233 -6.244 -3.474 773 H GLU 90 H GLU 90 -19.579 -3.338 -2.288 774 HA GLU 90 HA GLU 90 -19.544 -0.597 -1.637 775 1HB GLU 90 2HB GLU 90 -21.774 -1.086 -0.706 776 2HB GLU 90 1HB GLU 90 -21.516 -1.981 -2.204 777 1HG GLU 90 2HG GLU 90 -22.026 -3.856 -1.063 778 2HG GLU 90 1HG GLU 90 -20.504 -3.652 -0.196 779 H ALA 91 H ALA 91 -18.361 -3.210 0.274 780 HA ALA 91 HA ALA 91 -18.939 -2.448 2.915 781 1HB ALA 91 1HB ALA 91 -16.970 -4.012 1.439 782 2HB ALA 91 2HB ALA 91 -17.697 -4.337 3.012 783 3HB ALA 91 3HB ALA 91 -16.276 -3.300 2.896 784 H LEU 92 H LEU 92 -16.926 -0.806 0.582 785 HA LEU 92 HA LEU 92 -15.778 0.923 2.745 786 1HB LEU 92 2HB LEU 92 -14.914 1.256 -0.073 787 2HB LEU 92 1HB LEU 92 -13.940 1.159 1.390 788 HG LEU 92 HG LEU 92 -15.196 -1.149 -0.114 789 1HD1 LEU 92 1HD1 LEU 92 -12.930 0.055 -0.770 790 2HD1 LEU 92 2HD1 LEU 92 -13.039 -1.705 -0.781 791 3HD1 LEU 92 3HD1 LEU 92 -12.292 -0.876 0.585 792 1HD2 LEU 92 1HD2 LEU 92 -15.097 -2.355 1.788 793 2HD2 LEU 92 2HD2 LEU 92 -14.644 -0.892 2.665 794 3HD2 LEU 92 3HD2 LEU 92 -13.395 -1.936 1.985 795 H GLU 93 H GLU 93 -17.955 0.858 0.030 796 HA GLU 93 HA GLU 93 -18.077 3.561 -0.732 797 1HB GLU 93 2HB GLU 93 -19.851 1.184 -0.694 798 2HB GLU 93 1HB GLU 93 -20.664 2.737 -0.903 799 1HG GLU 93 2HG GLU 93 -18.213 2.123 -2.527 800 2HG GLU 93 1HG GLU 93 -19.771 1.454 -3.016 801 H GLY 94 H GLY 94 -19.534 1.945 2.074 802 1HA GLY 94 2HA GLY 94 -20.877 4.444 2.900 803 2HA GLY 94 1HA GLY 94 -21.002 2.885 3.716 804 H LEU 95 H LEU 95 -17.807 3.149 3.188 805 HA LEU 95 HA LEU 95 -17.176 3.752 5.939 806 1HB LEU 95 2HB LEU 95 -15.981 2.581 3.708 807 2HB LEU 95 1HB LEU 95 -15.004 4.021 3.998 808 HG LEU 95 HG LEU 95 -14.611 3.366 6.298 809 1HD1 LEU 95 1HD1 LEU 95 -16.953 1.725 5.802 810 2HD1 LEU 95 2HD1 LEU 95 -16.221 2.181 7.341 811 3HD1 LEU 95 3HD1 LEU 95 -15.642 0.756 6.477 812 1HD2 LEU 95 1HD2 LEU 95 -13.160 2.343 4.571 813 2HD2 LEU 95 2HD2 LEU 95 -14.279 0.986 4.441 814 3HD2 LEU 95 3HD2 LEU 95 -13.387 1.252 5.939 815 H ILE 96 H ILE 96 -17.998 5.790 3.384 816 HA ILE 96 HA ILE 96 -16.163 7.992 3.913 817 HB ILE 96 HB ILE 96 -18.755 7.601 2.406 818 1HG1 ILE 96 2HG1 ILE 96 -15.890 8.171 1.580 819 2HG1 ILE 96 1HG1 ILE 96 -16.728 6.626 1.423 820 1HG2 ILE 96 1HG2 ILE 96 -17.123 10.133 2.748 821 2HG2 ILE 96 2HG2 ILE 96 -18.818 9.896 3.176 822 3HG2 ILE 96 3HG2 ILE 96 -18.329 9.907 1.482 823 1HD1 ILE 96 1HD1 ILE 96 -16.950 7.569 -0.722 824 2HD1 ILE 96 2HD1 ILE 96 -17.213 9.191 -0.082 825 3HD1 ILE 96 3HD1 ILE 96 -18.482 7.974 0.052 Start of MODEL 26 1 1H MET 1 1HT MET 1 -1.689 -13.417 12.670 2 2H MET 1 2HT MET 1 -2.905 -12.230 12.635 3 3H MET 1 3HT MET 1 -1.310 -11.805 13.038 4 HA MET 1 HA MET 1 -0.616 -11.759 10.881 5 1HB MET 1 2HB MET 1 -1.711 -13.377 9.240 6 2HB MET 1 1HB MET 1 -0.882 -14.147 10.599 7 1HG MET 1 2HG MET 1 -3.486 -13.635 11.517 8 2HG MET 1 1HG MET 1 -3.691 -14.225 9.867 9 1HE MET 1 1HE MET 1 -1.136 -15.917 9.457 10 2HE MET 1 2HE MET 1 -2.741 -16.439 8.950 11 3HE MET 1 3HE MET 1 -1.708 -17.542 9.855 12 H LYS 2 H LYS 2 -1.303 -10.300 9.289 13 HA LYS 2 HA LYS 2 -3.567 -8.676 9.534 14 1HB LYS 2 2HB LYS 2 -2.501 -9.681 6.870 15 2HB LYS 2 1HB LYS 2 -3.154 -8.085 7.229 16 1HG LYS 2 2HG LYS 2 -1.118 -8.182 9.031 17 2HG LYS 2 1HG LYS 2 -0.440 -9.162 7.731 18 1HD LYS 2 2HD LYS 2 -0.037 -7.323 6.501 19 2HD LYS 2 1HD LYS 2 -1.733 -6.848 6.607 20 1HE LYS 2 2HE LYS 2 -0.518 -5.051 7.621 21 2HE LYS 2 1HE LYS 2 -1.151 -5.994 8.984 22 1HZ LYS 2 1HZ LYS 2 1.152 -5.713 9.384 23 2HZ LYS 2 2HZ LYS 2 1.561 -6.135 7.790 24 3HZ LYS 2 3HZ LYS 2 0.959 -7.313 8.856 25 H THR 3 H THR 3 -5.443 -9.812 10.060 26 HA THR 3 HA THR 3 -6.951 -11.790 9.832 27 HB THR 3 HB THR 3 -7.385 -9.322 8.186 28 HG1 THR 3 1HG THR 3 -7.644 -9.343 10.464 29 1HG2 THR 3 1HG2 THR 3 -9.153 -11.765 8.227 30 2HG2 THR 3 2HG2 THR 3 -8.563 -10.865 6.829 31 3HG2 THR 3 3HG2 THR 3 -9.787 -10.156 7.883 32 H ALA 4 H ALA 4 -6.578 -10.509 6.537 33 HA ALA 4 HA ALA 4 -7.024 -12.928 5.112 34 1HB ALA 4 1HB ALA 4 -5.650 -10.304 4.723 35 2HB ALA 4 2HB ALA 4 -7.058 -10.954 3.879 36 3HB ALA 4 3HB ALA 4 -5.442 -11.548 3.498 37 H TYR 5 H TYR 5 -5.701 -14.405 6.596 38 HA TYR 5 HA TYR 5 -3.619 -15.289 7.402 39 1HB TYR 5 2HB TYR 5 -2.548 -16.408 5.346 40 2HB TYR 5 1HB TYR 5 -4.232 -16.782 5.680 41 HD1 TYR 5 1HD TYR 5 -1.983 -15.969 3.155 42 HD2 TYR 5 2HD TYR 5 -5.942 -15.010 4.513 43 HE1 TYR 5 1HE TYR 5 -2.598 -15.262 0.859 44 HE2 TYR 5 2HE TYR 5 -6.551 -14.284 2.228 45 HH TYR 5 HH TYR 5 -4.160 -14.337 -0.420 46 H ASP 6 H ASP 6 -3.279 -12.629 7.503 47 HA ASP 6 HA ASP 6 -1.615 -11.012 7.650 48 1HB ASP 6 2HB ASP 6 -0.216 -12.629 8.544 49 2HB ASP 6 1HB ASP 6 -0.087 -13.508 7.023 50 H VAL 7 H VAL 7 -3.108 -10.687 5.481 51 HA VAL 7 HA VAL 7 -1.141 -9.855 3.393 52 HB VAL 7 HB VAL 7 -3.841 -11.097 2.842 53 1HG1 VAL 7 1HG1 VAL 7 -3.270 -10.944 0.621 54 2HG1 VAL 7 2HG1 VAL 7 -1.545 -11.105 0.951 55 3HG1 VAL 7 3HG1 VAL 7 -2.356 -9.564 1.235 56 1HG2 VAL 7 1HG2 VAL 7 -2.896 -13.185 2.608 57 2HG2 VAL 7 2HG2 VAL 7 -2.047 -12.579 4.025 58 3HG2 VAL 7 3HG2 VAL 7 -1.259 -12.553 2.448 59 H ILE 8 H ILE 8 -4.378 -9.488 2.451 60 HA ILE 8 HA ILE 8 -4.303 -6.611 2.670 61 HB ILE 8 HB ILE 8 -6.610 -8.484 2.049 62 1HG1 ILE 8 2HG1 ILE 8 -4.914 -7.358 -0.124 63 2HG1 ILE 8 1HG1 ILE 8 -4.226 -8.696 0.792 64 1HG2 ILE 8 1HG2 ILE 8 -6.699 -5.814 2.286 65 2HG2 ILE 8 2HG2 ILE 8 -7.604 -6.654 1.026 66 3HG2 ILE 8 3HG2 ILE 8 -6.054 -5.903 0.646 67 1HD1 ILE 8 1HD1 ILE 8 -5.491 -10.116 -0.403 68 2HD1 ILE 8 2HD1 ILE 8 -6.280 -8.768 -1.221 69 3HD1 ILE 8 3HD1 ILE 8 -6.927 -9.374 0.302 70 H LEU 9 H LEU 9 -5.890 -5.333 3.895 71 HA LEU 9 HA LEU 9 -7.189 -6.761 6.173 72 1HB LEU 9 2HB LEU 9 -5.147 -4.536 6.221 73 2HB LEU 9 1HB LEU 9 -6.243 -4.798 7.579 74 HG LEU 9 HG LEU 9 -4.371 -6.878 6.407 75 1HD1 LEU 9 1HD1 LEU 9 -2.970 -6.523 8.261 76 2HD1 LEU 9 2HD1 LEU 9 -4.231 -5.691 9.173 77 3HD1 LEU 9 3HD1 LEU 9 -3.447 -4.885 7.813 78 1HD2 LEU 9 1HD2 LEU 9 -5.384 -7.487 9.022 79 2HD2 LEU 9 2HD2 LEU 9 -5.606 -8.393 7.525 80 3HD2 LEU 9 3HD2 LEU 9 -6.747 -7.122 7.964 81 H ALA 10 H ALA 10 -6.870 -3.311 6.269 82 HA ALA 10 HA ALA 10 -9.752 -3.060 5.503 83 1HB ALA 10 1HB ALA 10 -9.778 -1.207 7.037 84 2HB ALA 10 2HB ALA 10 -8.016 -1.158 7.099 85 3HB ALA 10 3HB ALA 10 -8.887 -2.502 7.837 86 HA PRO 11 HA PRO 11 -8.622 -0.531 2.090 87 1HB PRO 11 2HB PRO 11 -10.816 1.098 1.940 88 2HB PRO 11 1HB PRO 11 -10.848 -0.610 1.460 89 1HG PRO 11 2HG PRO 11 -11.817 0.671 3.962 90 2HG PRO 11 1HG PRO 11 -12.509 -0.671 3.038 91 1HD PRO 11 2HD PRO 11 -11.062 -0.985 5.341 92 2HD PRO 11 1HD PRO 11 -11.202 -2.228 4.078 93 H VAL 12 H VAL 12 -7.852 1.634 1.610 94 HA VAL 12 HA VAL 12 -7.231 3.222 4.035 95 HB VAL 12 HB VAL 12 -5.516 4.156 2.689 96 1HG1 VAL 12 1HG1 VAL 12 -4.333 2.272 1.982 97 2HG1 VAL 12 2HG1 VAL 12 -5.769 1.498 1.311 98 3HG1 VAL 12 3HG1 VAL 12 -5.531 1.551 3.058 99 1HG2 VAL 12 1HG2 VAL 12 -6.990 4.830 0.815 100 2HG2 VAL 12 2HG2 VAL 12 -7.048 3.155 0.268 101 3HG2 VAL 12 3HG2 VAL 12 -5.525 4.041 0.227 102 H LEU 13 H LEU 13 -8.015 5.314 4.368 103 HA LEU 13 HA LEU 13 -10.176 6.213 2.515 104 1HB LEU 13 2HB LEU 13 -9.438 6.795 5.395 105 2HB LEU 13 1HB LEU 13 -10.720 7.653 4.542 106 HG LEU 13 HG LEU 13 -11.776 5.843 5.717 107 1HD1 LEU 13 1HD1 LEU 13 -12.981 5.003 3.956 108 2HD1 LEU 13 2HD1 LEU 13 -11.537 4.518 3.066 109 3HD1 LEU 13 3HD1 LEU 13 -12.056 6.203 3.053 110 1HD2 LEU 13 1HD2 LEU 13 -10.795 3.828 6.086 111 2HD2 LEU 13 2HD2 LEU 13 -9.324 4.592 5.489 112 3HD2 LEU 13 3HD2 LEU 13 -10.334 3.648 4.394 113 H SER 14 H SER 14 -9.278 7.548 0.964 114 HA SER 14 HA SER 14 -8.025 10.055 1.841 115 1HB SER 14 2HB SER 14 -6.541 7.831 0.432 116 2HB SER 14 1HB SER 14 -6.000 9.503 0.332 117 HG SER 14 HG SER 14 -5.885 9.521 2.606 118 H GLU 15 H GLU 15 -8.286 11.651 0.246 119 HA GLU 15 HA GLU 15 -10.240 11.535 -1.704 120 1HB GLU 15 2HB GLU 15 -8.799 13.482 -0.859 121 2HB GLU 15 1HB GLU 15 -7.610 12.993 -2.067 122 1HG GLU 15 2HG GLU 15 -10.422 13.292 -2.999 123 2HG GLU 15 1HG GLU 15 -9.553 14.776 -2.604 124 H LYS 16 H LYS 16 -6.753 10.931 -2.295 125 HA LYS 16 HA LYS 16 -6.890 10.266 -5.016 126 1HB LYS 16 2HB LYS 16 -4.805 10.594 -3.848 127 2HB LYS 16 1HB LYS 16 -5.160 9.269 -2.741 128 1HG LYS 16 2HG LYS 16 -4.384 7.722 -4.192 129 2HG LYS 16 1HG LYS 16 -5.288 8.426 -5.533 130 1HD LYS 16 2HD LYS 16 -3.399 9.337 -6.342 131 2HD LYS 16 1HD LYS 16 -3.176 10.227 -4.837 132 1HE LYS 16 2HE LYS 16 -2.324 7.337 -5.243 133 2HE LYS 16 1HE LYS 16 -1.231 8.733 -5.347 134 1HZ LYS 16 1HZ LYS 16 -3.006 8.320 -3.018 135 2HZ LYS 16 2HZ LYS 16 -1.630 9.309 -3.135 136 3HZ LYS 16 3HZ LYS 16 -1.463 7.619 -3.082 137 H ALA 17 H ALA 17 -7.339 8.159 -2.168 138 HA ALA 17 HA ALA 17 -7.731 5.728 -3.686 139 1HB ALA 17 1HB ALA 17 -7.690 6.677 -0.949 140 2HB ALA 17 2HB ALA 17 -7.396 5.047 -1.557 141 3HB ALA 17 3HB ALA 17 -9.041 5.569 -1.190 142 H TYR 18 H TYR 18 -10.125 7.531 -1.719 143 HA TYR 18 HA TYR 18 -12.475 6.370 -2.567 144 1HB TYR 18 2HB TYR 18 -11.604 9.092 -1.738 145 2HB TYR 18 1HB TYR 18 -13.218 8.967 -2.442 146 HD1 TYR 18 1HD TYR 18 -14.078 6.301 -1.610 147 HD2 TYR 18 2HD TYR 18 -11.939 9.301 0.590 148 HE1 TYR 18 1HE TYR 18 -14.935 5.347 0.517 149 HE2 TYR 18 2HE TYR 18 -12.796 8.355 2.717 150 HH TYR 18 HH TYR 18 -14.364 6.953 3.604 151 H ALA 19 H ALA 19 -10.398 8.488 -4.444 152 HA ALA 19 HA ALA 19 -12.399 8.756 -6.601 153 1HB ALA 19 1HB ALA 19 -9.718 9.868 -5.874 154 2HB ALA 19 2HB ALA 19 -11.179 10.718 -6.378 155 3HB ALA 19 3HB ALA 19 -10.178 9.898 -7.575 156 H GLY 20 H GLY 20 -9.376 7.061 -5.893 157 1HA GLY 20 2HA GLY 20 -9.146 5.914 -8.577 158 2HA GLY 20 1HA GLY 20 -8.167 5.477 -7.174 159 H PHE 21 H PHE 21 -10.128 4.796 -5.351 160 HA PHE 21 HA PHE 21 -10.830 2.123 -6.174 161 1HB PHE 21 2HB PHE 21 -10.992 1.991 -3.907 162 2HB PHE 21 1HB PHE 21 -10.643 3.710 -3.833 163 HD1 PHE 21 1HD PHE 21 -12.663 5.324 -4.178 164 HD2 PHE 21 2HD PHE 21 -13.057 1.177 -3.141 165 HE1 PHE 21 1HE PHE 21 -14.952 5.755 -3.335 166 HE2 PHE 21 2HE PHE 21 -15.349 1.606 -2.299 167 HZ PHE 21 HZ PHE 21 -16.299 3.895 -2.396 168 H ALA 22 H ALA 22 -12.351 5.219 -6.398 169 HA ALA 22 HA ALA 22 -15.076 4.668 -6.476 170 1HB ALA 22 1HB ALA 22 -15.093 6.837 -7.130 171 2HB ALA 22 2HB ALA 22 -14.137 6.484 -8.570 172 3HB ALA 22 3HB ALA 22 -13.335 6.749 -7.022 173 H GLU 23 H GLU 23 -12.617 3.661 -8.702 174 HA GLU 23 HA GLU 23 -14.560 3.081 -10.870 175 1HB GLU 23 2HB GLU 23 -11.994 3.975 -10.817 176 2HB GLU 23 1HB GLU 23 -11.716 2.248 -11.017 177 1HG GLU 23 2HG GLU 23 -13.605 2.477 -12.855 178 2HG GLU 23 1HG GLU 23 -13.100 4.167 -12.856 179 H GLY 24 H GLY 24 -14.099 1.576 -8.103 180 1HA GLY 24 2HA GLY 24 -14.862 -0.668 -7.682 181 2HA GLY 24 1HA GLY 24 -14.343 -1.095 -9.305 182 H LYS 25 H LYS 25 -11.945 0.788 -8.082 183 HA LYS 25 HA LYS 25 -10.169 -1.502 -7.625 184 1HB LYS 25 2HB LYS 25 -9.975 1.504 -7.781 185 2HB LYS 25 1HB LYS 25 -8.596 0.565 -7.212 186 1HG LYS 25 2HG LYS 25 -9.497 -0.784 -9.502 187 2HG LYS 25 1HG LYS 25 -9.570 0.924 -9.921 188 1HD LYS 25 2HD LYS 25 -7.176 0.884 -8.680 189 2HD LYS 25 1HD LYS 25 -7.210 -0.769 -9.298 190 1HE LYS 25 2HE LYS 25 -6.318 0.311 -11.154 191 2HE LYS 25 1HE LYS 25 -8.044 0.512 -11.518 192 1HZ LYS 25 1HZ LYS 25 -6.744 2.435 -9.723 193 2HZ LYS 25 2HZ LYS 25 -8.057 2.660 -10.777 194 3HZ LYS 25 3HZ LYS 25 -6.475 2.587 -11.391 195 H TYR 26 H TYR 26 -9.291 -2.085 -5.566 196 HA TYR 26 HA TYR 26 -10.353 -0.526 -3.240 197 1HB TYR 26 2HB TYR 26 -10.122 -3.522 -3.617 198 2HB TYR 26 1HB TYR 26 -10.636 -2.737 -2.125 199 HD1 TYR 26 1HD TYR 26 -12.162 -0.425 -3.462 200 HD2 TYR 26 2HD TYR 26 -12.184 -4.672 -4.115 201 HE1 TYR 26 1HE TYR 26 -14.476 -0.277 -4.334 202 HE2 TYR 26 2HE TYR 26 -14.500 -4.521 -4.984 203 HH TYR 26 HH TYR 26 -15.884 -1.973 -6.100 204 H THR 27 H THR 27 -8.546 0.501 -2.552 205 HA THR 27 HA THR 27 -5.901 -0.660 -2.488 206 HB THR 27 HB THR 27 -6.839 1.723 -0.910 207 HG1 THR 27 1HG THR 27 -7.656 2.465 -2.684 208 1HG2 THR 27 1HG2 THR 27 -4.501 1.996 -2.618 209 2HG2 THR 27 2HG2 THR 27 -4.350 0.617 -1.530 210 3HG2 THR 27 3HG2 THR 27 -4.644 2.229 -0.876 211 H PHE 28 H PHE 28 -4.896 -1.592 -0.712 212 HA PHE 28 HA PHE 28 -6.453 -1.741 1.844 213 1HB PHE 28 2HB PHE 28 -5.213 -3.953 0.188 214 2HB PHE 28 1HB PHE 28 -5.761 -4.178 1.844 215 HD1 PHE 28 1HD PHE 28 -6.729 -5.221 -1.079 216 HD2 PHE 28 2HD PHE 28 -8.194 -2.466 1.871 217 HE1 PHE 28 1HE PHE 28 -9.048 -5.568 -1.904 218 HE2 PHE 28 2HE PHE 28 -10.510 -2.816 1.053 219 HZ PHE 28 HZ PHE 28 -10.937 -4.368 -0.834 220 H TRP 29 H TRP 29 -5.031 -2.510 3.660 221 HA TRP 29 HA TRP 29 -2.228 -1.538 3.306 222 1HB TRP 29 2HB TRP 29 -4.046 -2.001 5.703 223 2HB TRP 29 1HB TRP 29 -2.354 -1.524 5.849 224 HD1 TRP 29 HD TRP 29 -5.496 0.043 6.093 225 HE1 TRP 29 1HE TRP 29 -5.469 2.503 5.324 226 HE3 TRP 29 3HE TRP 29 -1.105 0.106 3.483 227 HZ2 TRP 29 2HZ TRP 29 -3.805 4.265 3.804 228 HZ3 TRP 29 3HZ TRP 29 -0.325 2.187 2.387 229 HH2 TRP 29 HH TRP 29 -1.668 4.264 2.543 230 H VAL 30 H VAL 30 -0.786 -3.230 3.015 231 HA VAL 30 HA VAL 30 -1.266 -5.741 4.506 232 HB VAL 30 HB VAL 30 -2.565 -6.059 2.571 233 1HG1 VAL 30 1HG1 VAL 30 -2.177 -4.409 1.028 234 2HG1 VAL 30 2HG1 VAL 30 -1.191 -5.667 0.282 235 3HG1 VAL 30 3HG1 VAL 30 -0.433 -4.437 1.292 236 1HG2 VAL 30 1HG2 VAL 30 0.121 -7.150 1.795 237 2HG2 VAL 30 2HG2 VAL 30 -1.465 -7.799 1.379 238 3HG2 VAL 30 3HG2 VAL 30 -0.896 -7.855 3.048 239 H HIS 31 H HIS 31 0.554 -7.268 4.227 240 HA HIS 31 HA HIS 31 3.108 -5.948 4.521 241 1HB HIS 31 2HB HIS 31 1.872 -8.496 4.943 242 2HB HIS 31 1HB HIS 31 3.368 -8.753 4.043 243 HD1 HIS 31 1HD HIS 31 2.912 -5.933 6.508 244 HD2 HIS 31 2HD HIS 31 4.898 -9.590 6.269 245 HE1 HIS 31 1HE HIS 31 4.454 -6.043 8.514 246 HA PRO 32 HA PRO 32 4.763 -6.194 0.467 247 1HB PRO 32 2HB PRO 32 7.287 -7.127 0.874 248 2HB PRO 32 1HB PRO 32 6.773 -5.504 1.348 249 1HG PRO 32 2HG PRO 32 7.161 -7.910 3.026 250 2HG PRO 32 1HG PRO 32 7.460 -6.208 3.399 251 1HD PRO 32 2HD PRO 32 5.260 -7.633 4.249 252 2HD PRO 32 1HD PRO 32 5.333 -5.863 4.116 253 H LYS 33 H LYS 33 5.992 -9.008 2.160 254 HA LYS 33 HA LYS 33 6.382 -10.880 0.234 255 1HB LYS 33 2HB LYS 33 5.526 -12.441 2.060 256 2HB LYS 33 1HB LYS 33 6.697 -11.217 2.564 257 1HG LYS 33 2HG LYS 33 5.228 -10.214 3.936 258 2HG LYS 33 1HG LYS 33 3.988 -10.186 2.690 259 1HD LYS 33 2HD LYS 33 3.054 -11.574 4.355 260 2HD LYS 33 1HD LYS 33 3.717 -12.720 3.189 261 1HE LYS 33 2HE LYS 33 5.887 -12.257 4.838 262 2HE LYS 33 1HE LYS 33 4.524 -12.231 5.975 263 1HZ LYS 33 1HZ LYS 33 4.755 -14.284 3.857 264 2HZ LYS 33 2HZ LYS 33 3.783 -14.312 5.249 265 3HZ LYS 33 3HZ LYS 33 5.466 -14.501 5.381 266 H ALA 34 H ALA 34 3.223 -9.576 1.153 267 HA ALA 34 HA ALA 34 1.562 -11.632 0.064 268 1HB ALA 34 1HB ALA 34 0.221 -9.235 -0.284 269 2HB ALA 34 2HB ALA 34 1.395 -8.843 0.972 270 3HB ALA 34 3HB ALA 34 0.256 -10.169 1.211 271 H THR 35 H THR 35 2.494 -12.259 -1.986 272 HA THR 35 HA THR 35 3.288 -10.649 -4.126 273 HB THR 35 HB THR 35 1.997 -12.736 -5.346 274 HG1 THR 35 1HG THR 35 2.111 -14.453 -3.854 275 1HG2 THR 35 1HG2 THR 35 4.139 -13.985 -4.974 276 2HG2 THR 35 2HG2 THR 35 4.605 -12.747 -3.807 277 3HG2 THR 35 3HG2 THR 35 4.379 -12.320 -5.504 278 H LYS 36 H LYS 36 2.071 -10.077 -6.128 279 HA LYS 36 HA LYS 36 -0.228 -8.490 -5.658 280 1HB LYS 36 2HB LYS 36 1.556 -8.895 -7.667 281 2HB LYS 36 1HB LYS 36 0.145 -9.713 -8.341 282 1HG LYS 36 2HG LYS 36 -0.837 -7.743 -8.808 283 2HG LYS 36 1HG LYS 36 -0.651 -7.211 -7.137 284 1HD LYS 36 2HD LYS 36 1.708 -6.577 -7.639 285 2HD LYS 36 1HD LYS 36 1.437 -7.012 -9.327 286 1HE LYS 36 2HE LYS 36 -0.616 -5.199 -8.239 287 2HE LYS 36 1HE LYS 36 1.012 -4.494 -8.302 288 1HZ LYS 36 1HZ LYS 36 0.304 -4.165 -10.451 289 2HZ LYS 36 2HZ LYS 36 -0.623 -5.588 -10.490 290 3HZ LYS 36 3HZ LYS 36 1.071 -5.671 -10.604 291 H THR 37 H THR 37 -0.086 -11.666 -7.332 292 HA THR 37 HA THR 37 -2.890 -12.047 -7.539 293 HB THR 37 HB THR 37 -0.483 -13.797 -7.485 294 HG1 THR 37 1HG THR 37 -1.419 -12.338 -9.267 295 1HG2 THR 37 1HG2 THR 37 -2.316 -15.486 -8.480 296 2HG2 THR 37 2HG2 THR 37 -3.334 -14.607 -7.340 297 3HG2 THR 37 3HG2 THR 37 -1.898 -15.455 -6.768 298 H GLU 38 H GLU 38 -0.625 -12.805 -4.921 299 HA GLU 38 HA GLU 38 -2.255 -14.473 -3.321 300 1HB GLU 38 2HB GLU 38 0.124 -12.825 -3.105 301 2HB GLU 38 1HB GLU 38 -0.817 -12.748 -1.615 302 1HG GLU 38 2HG GLU 38 -0.939 -15.428 -2.219 303 2HG GLU 38 1HG GLU 38 0.683 -15.005 -2.768 304 H ILE 39 H ILE 39 -2.093 -10.913 -3.473 305 HA ILE 39 HA ILE 39 -3.916 -10.302 -1.384 306 HB ILE 39 HB ILE 39 -3.073 -9.029 -3.989 307 1HG1 ILE 39 2HG1 ILE 39 -2.768 -7.816 -1.270 308 2HG1 ILE 39 1HG1 ILE 39 -1.760 -9.206 -1.676 309 1HG2 ILE 39 1HG2 ILE 39 -4.339 -7.039 -3.475 310 2HG2 ILE 39 2HG2 ILE 39 -4.898 -7.727 -1.951 311 3HG2 ILE 39 3HG2 ILE 39 -5.465 -8.396 -3.480 312 1HD1 ILE 39 1HD1 ILE 39 -1.869 -7.259 -3.850 313 2HD1 ILE 39 2HD1 ILE 39 -0.464 -7.978 -3.061 314 3HD1 ILE 39 3HD1 ILE 39 -1.239 -6.556 -2.361 315 H LYS 40 H LYS 40 -4.429 -11.378 -4.698 316 HA LYS 40 HA LYS 40 -7.201 -10.767 -4.985 317 1HB LYS 40 2HB LYS 40 -5.469 -11.537 -6.696 318 2HB LYS 40 1HB LYS 40 -5.702 -13.167 -6.068 319 1HG LYS 40 2HG LYS 40 -7.980 -13.220 -6.731 320 2HG LYS 40 1HG LYS 40 -8.024 -11.477 -7.000 321 1HD LYS 40 2HD LYS 40 -6.804 -11.620 -8.994 322 2HD LYS 40 1HD LYS 40 -6.116 -13.188 -8.571 323 1HE LYS 40 2HE LYS 40 -7.735 -14.045 -9.936 324 2HE LYS 40 1HE LYS 40 -8.842 -13.707 -8.590 325 1HZ LYS 40 1HZ LYS 40 -9.252 -12.625 -10.916 326 2HZ LYS 40 2HZ LYS 40 -8.076 -11.518 -10.392 327 3HZ LYS 40 3HZ LYS 40 -9.507 -11.727 -9.500 328 H ASN 41 H ASN 41 -5.580 -13.722 -3.816 329 HA ASN 41 HA ASN 41 -7.869 -15.321 -3.367 330 1HB ASN 41 2HB ASN 41 -5.054 -15.149 -2.419 331 2HB ASN 41 1HB ASN 41 -6.139 -16.188 -1.496 332 1HD2 ASN 41 1HD2 ASN 41 -3.959 -16.394 -3.942 333 2HD2 ASN 41 2HD2 ASN 41 -4.645 -17.650 -4.854 334 H ALA 42 H ALA 42 -6.167 -13.213 -0.984 335 HA ALA 42 HA ALA 42 -7.966 -13.806 1.169 336 1HB ALA 42 1HB ALA 42 -6.667 -11.146 1.107 337 2HB ALA 42 2HB ALA 42 -5.578 -12.513 0.867 338 3HB ALA 42 3HB ALA 42 -6.570 -12.421 2.323 339 H VAL 43 H VAL 43 -7.902 -10.989 -1.068 340 HA VAL 43 HA VAL 43 -10.181 -9.701 0.084 341 HB VAL 43 HB VAL 43 -8.337 -9.385 -2.088 342 1HG1 VAL 43 1HG1 VAL 43 -11.242 -8.926 -2.833 343 2HG1 VAL 43 2HG1 VAL 43 -10.115 -10.023 -3.632 344 3HG1 VAL 43 3HG1 VAL 43 -9.865 -8.280 -3.729 345 1HG2 VAL 43 1HG2 VAL 43 -8.461 -7.249 -1.353 346 2HG2 VAL 43 2HG2 VAL 43 -9.515 -7.890 -0.092 347 3HG2 VAL 43 3HG2 VAL 43 -10.213 -7.195 -1.554 348 H GLU 44 H GLU 44 -9.926 -12.111 -2.544 349 HA GLU 44 HA GLU 44 -12.611 -12.060 -3.442 350 1HB GLU 44 2HB GLU 44 -10.263 -13.662 -3.688 351 2HB GLU 44 1HB GLU 44 -11.607 -14.749 -3.339 352 1HG GLU 44 2HG GLU 44 -12.314 -12.666 -5.271 353 2HG GLU 44 1HG GLU 44 -10.998 -13.698 -5.833 354 H THR 45 H THR 45 -11.146 -13.996 -0.816 355 HA THR 45 HA THR 45 -13.724 -15.102 0.020 356 HB THR 45 HB THR 45 -12.344 -16.170 1.715 357 HG1 THR 45 1HG THR 45 -10.554 -15.290 2.395 358 1HG2 THR 45 1HG2 THR 45 -11.218 -17.484 0.243 359 2HG2 THR 45 2HG2 THR 45 -10.319 -16.122 -0.428 360 3HG2 THR 45 3HG2 THR 45 -11.961 -16.453 -0.981 361 H ALA 46 H ALA 46 -11.424 -12.692 1.297 362 HA ALA 46 HA ALA 46 -12.792 -11.998 3.679 363 1HB ALA 46 1HB ALA 46 -11.445 -9.940 3.498 364 2HB ALA 46 2HB ALA 46 -11.154 -10.276 1.791 365 3HB ALA 46 3HB ALA 46 -10.490 -11.345 3.027 366 H PHE 47 H PHE 47 -12.758 -9.906 0.769 367 HA PHE 47 HA PHE 47 -15.169 -8.517 1.568 368 1HB PHE 47 2HB PHE 47 -13.522 -8.696 -0.966 369 2HB PHE 47 1HB PHE 47 -14.901 -7.608 -0.804 370 HD1 PHE 47 1HD PHE 47 -11.414 -8.161 -0.003 371 HD2 PHE 47 2HD PHE 47 -14.898 -5.881 1.053 372 HE1 PHE 47 1HE PHE 47 -9.980 -6.513 1.170 373 HE2 PHE 47 2HE PHE 47 -13.465 -4.234 2.226 374 HZ PHE 47 HZ PHE 47 -11.005 -4.549 2.285 375 H LYS 48 H LYS 48 -14.533 -11.402 -0.266 376 HA LYS 48 HA LYS 48 -16.018 -12.965 -1.219 377 1HB LYS 48 2HB LYS 48 -17.394 -11.539 0.852 378 2HB LYS 48 1HB LYS 48 -18.522 -11.804 -0.478 379 1HG LYS 48 2HG LYS 48 -18.055 -14.193 -0.463 380 2HG LYS 48 1HG LYS 48 -16.806 -13.974 0.763 381 1HD LYS 48 2HD LYS 48 -18.669 -12.926 2.211 382 2HD LYS 48 1HD LYS 48 -19.792 -13.649 1.058 383 1HE LYS 48 2HE LYS 48 -18.458 -15.853 1.477 384 2HE LYS 48 1HE LYS 48 -17.885 -15.031 2.942 385 1HZ LYS 48 1HZ LYS 48 -20.668 -15.638 2.145 386 2HZ LYS 48 2HZ LYS 48 -20.320 -14.418 3.276 387 3HZ LYS 48 3HZ LYS 48 -19.878 -16.027 3.596 388 H VAL 49 H VAL 49 -15.115 -10.737 -2.739 389 HA VAL 49 HA VAL 49 -17.495 -10.178 -4.462 390 HB VAL 49 HB VAL 49 -15.980 -8.421 -3.095 391 1HG1 VAL 49 1HG1 VAL 49 -14.153 -7.566 -4.250 392 2HG1 VAL 49 2HG1 VAL 49 -14.706 -8.204 -5.798 393 3HG1 VAL 49 3HG1 VAL 49 -13.996 -9.287 -4.601 394 1HG2 VAL 49 1HG2 VAL 49 -17.493 -7.134 -4.100 395 2HG2 VAL 49 2HG2 VAL 49 -17.763 -8.383 -5.314 396 3HG2 VAL 49 3HG2 VAL 49 -16.522 -7.157 -5.571 397 H LYS 50 H LYS 50 -16.071 -9.238 -6.671 398 HA LYS 50 HA LYS 50 -14.574 -11.685 -7.558 399 1HB LYS 50 2HB LYS 50 -16.935 -11.029 -8.496 400 2HB LYS 50 1HB LYS 50 -16.040 -9.800 -9.395 401 1HG LYS 50 2HG LYS 50 -15.116 -12.665 -9.402 402 2HG LYS 50 1HG LYS 50 -16.389 -12.135 -10.505 403 1HD LYS 50 2HD LYS 50 -14.640 -10.157 -10.950 404 2HD LYS 50 1HD LYS 50 -13.496 -11.402 -10.448 405 1HE LYS 50 2HE LYS 50 -15.194 -12.770 -12.178 406 2HE LYS 50 1HE LYS 50 -14.993 -11.186 -12.952 407 1HZ LYS 50 1HZ LYS 50 -13.162 -12.603 -13.570 408 2HZ LYS 50 2HZ LYS 50 -12.819 -12.944 -11.942 409 3HZ LYS 50 3HZ LYS 50 -12.589 -11.375 -12.550 410 H VAL 51 H VAL 51 -12.450 -11.016 -7.382 411 HA VAL 51 HA VAL 51 -11.612 -8.282 -7.954 412 HB VAL 51 HB VAL 51 -10.291 -10.919 -7.315 413 1HG1 VAL 51 1HG1 VAL 51 -9.072 -8.336 -8.225 414 2HG1 VAL 51 2HG1 VAL 51 -8.551 -9.990 -8.544 415 3HG1 VAL 51 3HG1 VAL 51 -8.248 -9.259 -6.968 416 1HG2 VAL 51 1HG2 VAL 51 -11.181 -8.495 -5.875 417 2HG2 VAL 51 2HG2 VAL 51 -9.581 -9.078 -5.415 418 3HG2 VAL 51 3HG2 VAL 51 -10.979 -10.145 -5.284 419 H VAL 52 H VAL 52 -11.331 -7.536 -10.008 420 HA VAL 52 HA VAL 52 -10.745 -9.497 -12.179 421 HB VAL 52 HB VAL 52 -12.737 -7.958 -12.279 422 1HG1 VAL 52 1HG1 VAL 52 -11.005 -5.677 -13.015 423 2HG1 VAL 52 2HG1 VAL 52 -11.059 -6.060 -11.298 424 3HG1 VAL 52 3HG1 VAL 52 -12.550 -5.693 -12.167 425 1HG2 VAL 52 1HG2 VAL 52 -11.171 -6.913 -14.495 426 2HG2 VAL 52 2HG2 VAL 52 -12.539 -8.031 -14.520 427 3HG2 VAL 52 3HG2 VAL 52 -10.902 -8.638 -14.258 428 H LYS 53 H LYS 53 -9.099 -7.484 -10.116 429 HA LYS 53 HA LYS 53 -6.626 -7.652 -11.527 430 1HB LYS 53 2HB LYS 53 -6.543 -5.714 -12.758 431 2HB LYS 53 1HB LYS 53 -8.295 -5.883 -12.730 432 1HG LYS 53 2HG LYS 53 -8.208 -3.745 -11.935 433 2HG LYS 53 1HG LYS 53 -7.917 -4.551 -10.397 434 1HD LYS 53 2HD LYS 53 -6.226 -2.827 -10.719 435 2HD LYS 53 1HD LYS 53 -5.461 -4.413 -10.833 436 1HE LYS 53 2HE LYS 53 -4.696 -3.855 -12.889 437 2HE LYS 53 1HE LYS 53 -6.375 -3.720 -13.451 438 1HZ LYS 53 1HZ LYS 53 -5.599 -1.572 -13.712 439 2HZ LYS 53 2HZ LYS 53 -4.629 -1.631 -12.318 440 3HZ LYS 53 3HZ LYS 53 -6.317 -1.494 -12.178 441 H VAL 54 H VAL 54 -4.910 -6.923 -10.197 442 HA VAL 54 HA VAL 54 -5.682 -5.537 -7.663 443 HB VAL 54 HB VAL 54 -4.533 -8.226 -8.124 444 1HG1 VAL 54 1HG1 VAL 54 -3.446 -6.455 -5.907 445 2HG1 VAL 54 2HG1 VAL 54 -2.518 -7.031 -7.293 446 3HG1 VAL 54 3HG1 VAL 54 -3.126 -8.180 -6.101 447 1HG2 VAL 54 1HG2 VAL 54 -6.678 -7.224 -6.809 448 2HG2 VAL 54 2HG2 VAL 54 -5.518 -7.305 -5.480 449 3HG2 VAL 54 3HG2 VAL 54 -5.926 -8.764 -6.386 450 H ASN 55 H ASN 55 -4.466 -3.724 -7.452 451 HA ASN 55 HA ASN 55 -1.702 -3.737 -8.609 452 1HB ASN 55 2HB ASN 55 -3.952 -2.154 -9.237 453 2HB ASN 55 1HB ASN 55 -2.893 -1.110 -8.288 454 1HD2 ASN 55 1HD2 ASN 55 -0.353 -2.092 -9.068 455 2HD2 ASN 55 2HD2 ASN 55 -0.130 -1.802 -10.726 456 H THR 56 H THR 56 -0.281 -3.762 -6.919 457 HA THR 56 HA THR 56 -1.026 -2.213 -4.469 458 HB THR 56 HB THR 56 -0.805 -4.193 -3.397 459 HG1 THR 56 1HG THR 56 1.528 -5.057 -3.616 460 1HG2 THR 56 1HG2 THR 56 0.055 -6.250 -4.572 461 2HG2 THR 56 2HG2 THR 56 0.348 -5.245 -5.992 462 3HG2 THR 56 3HG2 THR 56 -1.295 -5.458 -5.385 463 H LEU 57 H LEU 57 0.500 -0.827 -3.649 464 HA LEU 57 HA LEU 57 3.261 -0.815 -4.758 465 1HB LEU 57 2HB LEU 57 2.831 1.735 -5.114 466 2HB LEU 57 1HB LEU 57 2.187 0.618 -6.310 467 HG LEU 57 HG LEU 57 0.481 1.322 -3.956 468 1HD1 LEU 57 1HD1 LEU 57 0.525 3.039 -6.437 469 2HD1 LEU 57 2HD1 LEU 57 1.514 3.440 -5.034 470 3HD1 LEU 57 3HD1 LEU 57 -0.242 3.373 -4.885 471 1HD2 LEU 57 1HD2 LEU 57 -0.679 1.293 -6.636 472 2HD2 LEU 57 2HD2 LEU 57 -1.113 0.334 -5.223 473 3HD2 LEU 57 3HD2 LEU 57 0.195 -0.197 -6.281 474 H HIS 58 H HIS 58 4.739 0.294 -3.298 475 HA HIS 58 HA HIS 58 3.637 0.586 -0.587 476 1HB HIS 58 2HB HIS 58 6.463 1.281 -1.228 477 2HB HIS 58 1HB HIS 58 5.814 0.402 0.149 478 HD1 HIS 58 1HD HIS 58 7.388 -0.146 -3.116 479 HD2 HIS 58 2HD HIS 58 4.962 -2.332 -0.525 480 HE1 HIS 58 1HE HIS 58 7.567 -2.567 -3.843 481 H VAL 59 H VAL 59 3.527 2.452 0.544 482 HA VAL 59 HA VAL 59 3.706 4.964 -1.039 483 HB VAL 59 HB VAL 59 2.298 5.757 0.927 484 1HG1 VAL 59 1HG1 VAL 59 1.633 3.817 -1.165 485 2HG1 VAL 59 2HG1 VAL 59 0.767 5.275 -0.676 486 3HG1 VAL 59 3HG1 VAL 59 0.507 3.764 0.193 487 1HG2 VAL 59 1HG2 VAL 59 1.769 4.370 2.667 488 2HG2 VAL 59 2HG2 VAL 59 3.284 3.587 2.217 489 3HG2 VAL 59 3HG2 VAL 59 1.750 2.934 1.643 490 H ARG 60 H ARG 60 5.163 6.583 -0.397 491 HA ARG 60 HA ARG 60 6.895 7.614 0.862 492 1HB ARG 60 2HB ARG 60 6.191 5.713 3.094 493 2HB ARG 60 1HB ARG 60 6.742 7.379 3.205 494 1HG ARG 60 2HG ARG 60 4.649 8.252 2.836 495 2HG ARG 60 1HG ARG 60 4.137 6.916 1.815 496 1HD ARG 60 2HD ARG 60 4.346 6.938 4.840 497 2HD ARG 60 1HD ARG 60 2.892 6.693 3.857 498 HE ARG 60 HE ARG 60 4.630 4.679 3.004 499 1HH1 ARG 60 1HH1 ARG 60 2.133 4.957 5.094 500 2HH1 ARG 60 2HH1 ARG 60 2.652 3.750 6.221 501 1HH2 ARG 60 1HH2 ARG 60 5.828 3.463 4.860 502 2HH2 ARG 60 2HH2 ARG 60 4.741 2.902 6.087 503 H GLY 61 H GLY 61 8.710 6.566 2.627 504 1HA GLY 61 2HA GLY 61 10.752 5.394 2.532 505 2HA GLY 61 1HA GLY 61 9.691 3.993 2.386 506 H LYS 62 H LYS 62 11.801 6.162 0.675 507 HA LYS 62 HA LYS 62 11.359 4.570 -1.832 508 1HB LYS 62 2HB LYS 62 10.985 7.254 -1.406 509 2HB LYS 62 1HB LYS 62 12.650 7.225 -1.990 510 1HG LYS 62 2HG LYS 62 11.295 5.447 -3.670 511 2HG LYS 62 1HG LYS 62 10.177 6.795 -3.465 512 1HD LYS 62 2HD LYS 62 12.741 7.944 -3.793 513 2HD LYS 62 1HD LYS 62 12.602 6.687 -5.023 514 1HE LYS 62 2HE LYS 62 10.646 7.668 -5.965 515 2HE LYS 62 1HE LYS 62 10.396 8.710 -4.550 516 1HZ LYS 62 1HZ LYS 62 12.592 9.712 -5.020 517 2HZ LYS 62 2HZ LYS 62 11.459 9.994 -6.255 518 3HZ LYS 62 3HZ LYS 62 12.670 8.820 -6.460 519 H LYS 63 H LYS 63 13.872 6.625 -0.295 520 HA LYS 63 HA LYS 63 15.848 4.442 -0.545 521 1HB LYS 63 2HB LYS 63 15.626 5.710 -2.760 522 2HB LYS 63 1HB LYS 63 16.299 7.104 -1.916 523 1HG LYS 63 2HG LYS 63 18.311 5.827 -1.349 524 2HG LYS 63 1HG LYS 63 17.634 4.387 -2.112 525 1HD LYS 63 2HD LYS 63 17.920 5.218 -4.257 526 2HD LYS 63 1HD LYS 63 17.820 6.899 -3.731 527 1HE LYS 63 2HE LYS 63 20.139 5.126 -2.924 528 2HE LYS 63 1HE LYS 63 20.159 6.083 -4.419 529 1HZ LYS 63 1HZ LYS 63 20.028 8.054 -3.278 530 2HZ LYS 63 2HZ LYS 63 20.969 7.144 -2.197 531 3HZ LYS 63 3HZ LYS 63 19.307 7.356 -1.911 532 H LYS 64 H LYS 64 17.466 4.680 1.004 533 HA LYS 64 HA LYS 64 18.586 5.588 2.877 534 1HB LYS 64 2HB LYS 64 18.135 7.738 0.895 535 2HB LYS 64 1HB LYS 64 18.497 8.302 2.527 536 1HG LYS 64 2HG LYS 64 20.365 6.375 2.324 537 2HG LYS 64 1HG LYS 64 20.215 6.799 0.619 538 1HD LYS 64 2HD LYS 64 20.407 9.255 1.426 539 2HD LYS 64 1HD LYS 64 21.024 8.561 2.927 540 1HE LYS 64 2HE LYS 64 22.981 7.817 1.937 541 2HE LYS 64 1HE LYS 64 22.212 7.588 0.353 542 1HZ LYS 64 1HZ LYS 64 23.086 10.102 1.634 543 2HZ LYS 64 2HZ LYS 64 21.866 10.115 0.452 544 3HZ LYS 64 3HZ LYS 64 23.416 9.538 0.069 545 H ARG 65 H ARG 65 15.535 5.300 2.823 546 HA ARG 65 HA ARG 65 14.759 7.416 4.783 547 1HB ARG 65 2HB ARG 65 13.078 5.267 3.470 548 2HB ARG 65 1HB ARG 65 12.513 6.758 4.222 549 1HG ARG 65 2HG ARG 65 14.360 7.622 2.313 550 2HG ARG 65 1HG ARG 65 13.482 6.320 1.508 551 1HD ARG 65 2HD ARG 65 11.325 7.427 2.263 552 2HD ARG 65 1HD ARG 65 12.308 8.811 2.782 553 HE ARG 65 HE ARG 65 12.427 7.781 -0.027 554 1HH1 ARG 65 1HH1 ARG 65 10.690 10.079 1.501 555 2HH1 ARG 65 2HH1 ARG 65 11.394 11.451 0.714 556 1HH2 ARG 65 1HH2 ARG 65 13.991 9.642 -0.702 557 2HH2 ARG 65 2HH2 ARG 65 13.262 11.205 -0.534 558 H LEU 66 H LEU 66 14.607 3.864 4.367 559 HA LEU 66 HA LEU 66 14.661 2.147 5.994 560 1HB LEU 66 2HB LEU 66 16.149 4.442 7.023 561 2HB LEU 66 1HB LEU 66 15.432 3.492 8.324 562 HG LEU 66 HG LEU 66 16.387 1.428 7.175 563 1HD1 LEU 66 1HD1 LEU 66 17.535 1.633 5.242 564 2HD1 LEU 66 2HD1 LEU 66 18.511 2.951 5.892 565 3HD1 LEU 66 3HD1 LEU 66 16.942 3.292 5.162 566 1HD2 LEU 66 1HD2 LEU 66 17.654 3.436 8.816 567 2HD2 LEU 66 2HD2 LEU 66 18.860 2.676 7.777 568 3HD2 LEU 66 3HD2 LEU 66 17.872 1.687 8.851 569 H GLY 67 H GLY 67 13.900 2.116 8.620 570 1HA GLY 67 2HA GLY 67 11.588 3.751 9.126 571 2HA GLY 67 1HA GLY 67 11.150 2.109 8.662 572 H ARG 68 H ARG 68 13.872 3.298 10.616 573 HA ARG 68 HA ARG 68 12.789 1.762 12.937 574 1HB ARG 68 2HB ARG 68 15.726 1.972 12.409 575 2HB ARG 68 1HB ARG 68 14.835 0.653 13.172 576 1HG ARG 68 2HG ARG 68 13.888 0.033 10.984 577 2HG ARG 68 1HG ARG 68 14.764 1.365 10.230 578 1HD ARG 68 2HD ARG 68 16.715 0.182 10.181 579 2HD ARG 68 1HD ARG 68 16.487 -0.412 11.838 580 HE ARG 68 HE ARG 68 14.554 -1.623 10.082 581 1HH1 ARG 68 1HH2 ARG 68 16.250 -2.993 12.211 582 2HH1 ARG 68 2HH2 ARG 68 17.214 -4.054 11.241 583 1HH2 ARG 68 1HH1 ARG 68 16.503 -2.413 8.269 584 2HH2 ARG 68 2HH1 ARG 68 17.358 -3.726 9.008 585 H TYR 69 H TYR 69 12.992 4.601 12.006 586 HA TYR 69 HA TYR 69 13.781 5.776 14.600 587 1HB TYR 69 2HB TYR 69 15.907 5.757 13.538 588 2HB TYR 69 1HB TYR 69 15.216 6.183 11.973 589 HD1 TYR 69 1HD TYR 69 16.000 7.462 15.369 590 HD2 TYR 69 2HD TYR 69 14.782 8.463 11.374 591 HE1 TYR 69 1HE TYR 69 16.358 9.866 15.863 592 HE2 TYR 69 2HE TYR 69 15.139 10.868 11.868 593 HH TYR 69 HH TYR 69 16.898 11.984 14.386 594 H LEU 70 H LEU 70 13.376 8.267 14.460 595 HA LEU 70 HA LEU 70 10.756 8.681 13.181 596 1HB LEU 70 2HB LEU 70 12.494 9.917 15.234 597 2HB LEU 70 1HB LEU 70 11.421 11.019 14.375 598 HG LEU 70 HG LEU 70 10.393 10.041 16.451 599 1HD1 LEU 70 1HD1 LEU 70 9.123 10.759 14.323 600 2HD1 LEU 70 2HD1 LEU 70 8.266 9.712 15.454 601 3HD1 LEU 70 3HD1 LEU 70 8.969 9.036 13.985 602 1HD2 LEU 70 1HD2 LEU 70 10.004 7.459 15.016 603 2HD2 LEU 70 2HD2 LEU 70 10.145 7.773 16.746 604 3HD2 LEU 70 3HD2 LEU 70 11.590 7.736 15.737 605 H GLY 71 H GLY 71 12.792 8.371 11.294 606 1HA GLY 71 2HA GLY 71 13.396 11.118 10.326 607 2HA GLY 71 1HA GLY 71 14.164 9.643 9.735 608 H LYS 72 H LYS 72 13.520 9.158 7.697 609 HA LYS 72 HA LYS 72 11.165 10.312 6.475 610 1HB LYS 72 2HB LYS 72 12.988 8.018 5.673 611 2HB LYS 72 1HB LYS 72 11.864 8.845 4.594 612 1HG LYS 72 2HG LYS 72 13.788 10.538 6.119 613 2HG LYS 72 1HG LYS 72 14.431 9.583 4.784 614 1HD LYS 72 2HD LYS 72 13.804 11.532 3.675 615 2HD LYS 72 1HD LYS 72 12.352 10.548 3.482 616 1HE LYS 72 2HE LYS 72 12.096 11.858 5.989 617 2HE LYS 72 1HE LYS 72 12.611 13.087 4.817 618 1HZ LYS 72 1HZ LYS 72 10.279 11.277 4.682 619 2HZ LYS 72 2HZ LYS 72 10.933 11.966 3.273 620 3HZ LYS 72 3HZ LYS 72 10.320 12.963 4.504 621 H ARG 73 H ARG 73 9.797 8.444 5.150 622 HA ARG 73 HA ARG 73 8.428 6.924 7.297 623 1HB ARG 73 2HB ARG 73 7.801 8.200 4.754 624 2HB ARG 73 1HB ARG 73 7.132 6.568 4.838 625 1HG ARG 73 2HG ARG 73 5.682 7.103 6.523 626 2HG ARG 73 1HG ARG 73 6.819 8.218 7.284 627 1HD ARG 73 2HD ARG 73 6.206 10.003 5.889 628 2HD ARG 73 1HD ARG 73 5.569 8.925 4.631 629 HE ARG 73 HE ARG 73 3.716 8.358 6.233 630 1HH1 ARG 73 1HH2 ARG 73 4.986 11.462 5.904 631 2HH1 ARG 73 2HH2 ARG 73 4.104 12.147 7.227 632 1HH2 ARG 73 1HH1 ARG 73 2.852 9.103 8.318 633 2HH2 ARG 73 2HH1 ARG 73 2.896 10.812 8.593 634 HA PRO 74 HA PRO 74 10.075 3.042 6.065 635 1HB PRO 74 2HB PRO 74 8.009 1.403 6.753 636 2HB PRO 74 1HB PRO 74 9.061 2.178 7.953 637 1HG PRO 74 2HG PRO 74 6.332 2.946 7.054 638 2HG PRO 74 1HG PRO 74 7.038 2.989 8.677 639 1HD PRO 74 2HD PRO 74 6.751 5.194 7.098 640 2HD PRO 74 1HD PRO 74 8.015 5.031 8.336 641 H ASP 75 H ASP 75 8.753 0.860 5.044 642 HA ASP 75 HA ASP 75 7.671 1.864 2.450 643 1HB ASP 75 2HB ASP 75 9.946 0.445 2.928 644 2HB ASP 75 1HB ASP 75 8.796 -0.875 2.708 645 H ARG 76 H ARG 76 5.499 1.806 3.208 646 HA ARG 76 HA ARG 76 4.396 -0.767 4.199 647 1HB ARG 76 2HB ARG 76 3.376 0.911 5.391 648 2HB ARG 76 1HB ARG 76 3.687 2.109 4.139 649 1HG ARG 76 2HG ARG 76 1.242 1.610 4.481 650 2HG ARG 76 1HG ARG 76 1.804 1.333 2.833 651 1HD ARG 76 2HD ARG 76 0.963 -0.768 3.007 652 2HD ARG 76 1HD ARG 76 2.265 -1.106 4.165 653 HE ARG 76 HE ARG 76 -0.447 -0.905 4.911 654 1HH1 ARG 76 1HH2 ARG 76 2.098 -1.432 6.632 655 2HH1 ARG 76 2HH2 ARG 76 1.887 -0.223 7.854 656 1HH2 ARG 76 1HH1 ARG 76 -0.527 1.525 6.082 657 2HH2 ARG 76 2HH1 ARG 76 0.401 1.452 7.543 658 H LYS 77 H LYS 77 3.406 -2.192 2.794 659 HA LYS 77 HA LYS 77 3.012 -1.349 -0.029 660 1HB LYS 77 2HB LYS 77 4.266 -3.436 0.801 661 2HB LYS 77 1HB LYS 77 2.680 -4.094 1.197 662 1HG LYS 77 2HG LYS 77 2.224 -3.214 -1.336 663 2HG LYS 77 1HG LYS 77 3.928 -3.649 -1.451 664 1HD LYS 77 2HD LYS 77 3.023 -5.717 -1.893 665 2HD LYS 77 1HD LYS 77 3.050 -5.814 -0.133 666 1HE LYS 77 2HE LYS 77 0.680 -4.752 -0.238 667 2HE LYS 77 1HE LYS 77 0.701 -5.249 -1.942 668 1HZ LYS 77 1HZ LYS 77 -0.162 -7.016 -0.505 669 2HZ LYS 77 2HZ LYS 77 1.297 -7.023 0.367 670 3HZ LYS 77 3HZ LYS 77 1.280 -7.483 -1.267 671 H LYS 78 H LYS 78 0.991 -0.932 -0.818 672 HA LYS 78 HA LYS 78 -1.367 -1.899 0.754 673 1HB LYS 78 2HB LYS 78 -2.468 0.182 -0.166 674 2HB LYS 78 1HB LYS 78 -1.107 0.512 0.905 675 1HG LYS 78 2HG LYS 78 0.320 1.081 -0.882 676 2HG LYS 78 1HG LYS 78 -0.710 0.286 -2.074 677 1HD LYS 78 2HD LYS 78 -2.507 2.023 -1.335 678 2HD LYS 78 1HD LYS 78 -1.138 2.917 -0.673 679 1HE LYS 78 2HE LYS 78 -0.036 2.791 -2.933 680 2HE LYS 78 1HE LYS 78 -1.534 2.077 -3.564 681 1HZ LYS 78 1HZ LYS 78 -1.871 4.341 -3.865 682 2HZ LYS 78 2HZ LYS 78 -1.111 4.760 -2.405 683 3HZ LYS 78 3HZ LYS 78 -2.653 4.047 -2.389 684 H ALA 79 H ALA 79 -3.191 -2.659 -0.543 685 HA ALA 79 HA ALA 79 -2.414 -3.308 -3.368 686 1HB ALA 79 1HB ALA 79 -2.906 -4.971 -1.274 687 2HB ALA 79 2HB ALA 79 -3.120 -5.420 -2.970 688 3HB ALA 79 3HB ALA 79 -4.506 -4.864 -2.018 689 H ILE 80 H ILE 80 -3.677 -2.548 -4.942 690 HA ILE 80 HA ILE 80 -6.413 -1.567 -4.251 691 HB ILE 80 HB ILE 80 -4.373 -0.904 -6.382 692 1HG1 ILE 80 2HG1 ILE 80 -4.673 1.364 -5.436 693 2HG1 ILE 80 1HG1 ILE 80 -5.824 0.723 -4.272 694 1HG2 ILE 80 1HG2 ILE 80 -6.438 0.841 -6.800 695 2HG2 ILE 80 2HG2 ILE 80 -7.314 -0.642 -6.420 696 3HG2 ILE 80 3HG2 ILE 80 -6.164 -0.615 -7.758 697 1HD1 ILE 80 1HD1 ILE 80 -3.278 1.002 -3.617 698 2HD1 ILE 80 2HD1 ILE 80 -3.113 -0.533 -4.469 699 3HD1 ILE 80 3HD1 ILE 80 -4.189 -0.407 -3.079 700 H VAL 81 H VAL 81 -7.855 -3.186 -4.714 701 HA VAL 81 HA VAL 81 -7.320 -4.937 -7.079 702 HB VAL 81 HB VAL 81 -9.229 -5.279 -4.749 703 1HG1 VAL 81 1HG1 VAL 81 -8.292 -7.721 -5.896 704 2HG1 VAL 81 2HG1 VAL 81 -8.855 -6.689 -7.211 705 3HG1 VAL 81 3HG1 VAL 81 -9.938 -7.089 -5.878 706 1HG2 VAL 81 1HG2 VAL 81 -7.330 -5.581 -3.544 707 2HG2 VAL 81 2HG2 VAL 81 -6.323 -5.630 -4.991 708 3HG2 VAL 81 3HG2 VAL 81 -7.154 -7.087 -4.445 709 H GLN 82 H GLN 82 -8.778 -5.014 -8.779 710 HA GLN 82 HA GLN 82 -11.084 -3.116 -8.647 711 1HB GLN 82 2HB GLN 82 -9.210 -2.987 -10.389 712 2HB GLN 82 1HB GLN 82 -9.840 -4.490 -11.036 713 1HG GLN 82 2HG GLN 82 -11.266 -3.255 -12.253 714 2HG GLN 82 1HG GLN 82 -12.092 -2.895 -10.740 715 1HE2 GLN 82 1HE2 GLN 82 -12.145 -0.717 -10.139 716 2HE2 GLN 82 2HE2 GLN 82 -11.149 0.489 -10.795 717 H VAL 83 H VAL 83 -13.158 -3.936 -9.407 718 HA VAL 83 HA VAL 83 -13.219 -6.913 -9.497 719 HB VAL 83 HB VAL 83 -15.211 -6.904 -8.258 720 1HG1 VAL 83 1HG1 VAL 83 -14.115 -4.426 -7.008 721 2HG1 VAL 83 2HG1 VAL 83 -13.032 -5.812 -7.146 722 3HG1 VAL 83 3HG1 VAL 83 -14.550 -5.964 -6.262 723 1HG2 VAL 83 1HG2 VAL 83 -16.363 -5.221 -9.650 724 2HG2 VAL 83 2HG2 VAL 83 -15.450 -3.936 -8.845 725 3HG2 VAL 83 3HG2 VAL 83 -16.607 -4.907 -7.928 726 H ALA 84 H ALA 84 -14.853 -7.807 -10.903 727 HA ALA 84 HA ALA 84 -14.985 -6.529 -13.461 728 1HB ALA 84 1HB ALA 84 -15.872 -8.946 -12.083 729 2HB ALA 84 2HB ALA 84 -15.290 -8.746 -13.741 730 3HB ALA 84 3HB ALA 84 -16.985 -8.437 -13.354 731 HA PRO 85 HA PRO 85 -18.695 -4.209 -13.282 732 1HB PRO 85 2HB PRO 85 -20.079 -4.997 -15.507 733 2HB PRO 85 1HB PRO 85 -18.614 -4.015 -15.585 734 1HG PRO 85 2HG PRO 85 -18.970 -6.881 -16.101 735 2HG PRO 85 1HG PRO 85 -17.887 -5.728 -16.870 736 1HD PRO 85 2HD PRO 85 -17.109 -7.565 -14.967 737 2HD PRO 85 1HD PRO 85 -16.238 -6.070 -15.333 738 H GLY 86 H GLY 86 -20.670 -4.353 -12.247 739 1HA GLY 86 2HA GLY 86 -22.852 -5.495 -11.969 740 2HA GLY 86 1HA GLY 86 -22.003 -7.027 -12.172 741 H GLN 87 H GLN 87 -19.739 -6.203 -10.457 742 HA GLN 87 HA GLN 87 -21.127 -6.509 -7.821 743 1HB GLN 87 2HB GLN 87 -18.823 -7.414 -7.184 744 2HB GLN 87 1HB GLN 87 -19.719 -8.367 -8.363 745 1HG GLN 87 2HG GLN 87 -18.096 -6.266 -9.596 746 2HG GLN 87 1HG GLN 87 -17.136 -7.434 -8.690 747 1HE2 GLN 87 1HE2 GLN 87 -18.258 -9.848 -9.093 748 2HE2 GLN 87 2HE2 GLN 87 -18.416 -10.218 -10.742 749 H LYS 88 H LYS 88 -19.689 -5.620 -5.967 750 HA LYS 88 HA LYS 88 -17.864 -3.455 -6.379 751 1HB LYS 88 2HB LYS 88 -19.497 -1.594 -5.889 752 2HB LYS 88 1HB LYS 88 -19.772 -2.384 -7.442 753 1HG LYS 88 2HG LYS 88 -21.213 -3.822 -5.422 754 2HG LYS 88 1HG LYS 88 -21.602 -2.107 -5.277 755 1HD LYS 88 2HD LYS 88 -21.825 -2.222 -7.894 756 2HD LYS 88 1HD LYS 88 -22.027 -3.951 -7.611 757 1HE LYS 88 2HE LYS 88 -24.059 -3.675 -6.534 758 2HE LYS 88 1HE LYS 88 -23.628 -2.069 -5.915 759 1HZ LYS 88 1HZ LYS 88 -24.486 -2.832 -8.632 760 2HZ LYS 88 2HZ LYS 88 -23.537 -1.444 -8.395 761 3HZ LYS 88 3HZ LYS 88 -25.059 -1.573 -7.651 762 H ILE 89 H ILE 89 -16.869 -3.179 -4.400 763 HA ILE 89 HA ILE 89 -18.058 -4.419 -2.011 764 HB ILE 89 HB ILE 89 -15.470 -2.956 -2.615 765 1HG1 ILE 89 2HG1 ILE 89 -16.162 -5.877 -2.154 766 2HG1 ILE 89 1HG1 ILE 89 -15.686 -5.150 -3.689 767 1HG2 ILE 89 1HG2 ILE 89 -15.261 -4.538 -0.266 768 2HG2 ILE 89 2HG2 ILE 89 -16.701 -3.535 -0.081 769 3HG2 ILE 89 3HG2 ILE 89 -15.138 -2.783 -0.397 770 1HD1 ILE 89 1HD1 ILE 89 -13.662 -4.381 -1.938 771 2HD1 ILE 89 2HD1 ILE 89 -13.562 -5.673 -3.135 772 3HD1 ILE 89 3HD1 ILE 89 -14.015 -6.045 -1.471 773 H GLU 90 H GLU 90 -19.916 -2.908 -1.830 774 HA GLU 90 HA GLU 90 -19.714 -0.091 -1.527 775 1HB GLU 90 2HB GLU 90 -21.916 -0.347 -0.470 776 2HB GLU 90 1HB GLU 90 -21.780 -1.450 -1.840 777 1HG GLU 90 2HG GLU 90 -22.012 -3.257 -0.513 778 2HG GLU 90 1HG GLU 90 -20.778 -2.671 0.603 779 H ALA 91 H ALA 91 -18.592 -2.595 0.543 780 HA ALA 91 HA ALA 91 -18.922 -1.540 3.137 781 1HB ALA 91 1HB ALA 91 -16.674 -2.774 3.480 782 2HB ALA 91 2HB ALA 91 -16.758 -3.134 1.756 783 3HB ALA 91 3HB ALA 91 -18.021 -3.718 2.840 784 H LEU 92 H LEU 92 -16.970 -0.336 0.519 785 HA LEU 92 HA LEU 92 -15.454 1.440 2.396 786 1HB LEU 92 2HB LEU 92 -14.849 1.431 -0.509 787 2HB LEU 92 1HB LEU 92 -13.748 1.357 0.862 788 HG LEU 92 HG LEU 92 -15.375 -0.920 -0.290 789 1HD1 LEU 92 1HD1 LEU 92 -12.976 0.040 -1.132 790 2HD1 LEU 92 2HD1 LEU 92 -13.423 -1.664 -1.226 791 3HD1 LEU 92 3HD1 LEU 92 -12.439 -1.084 0.118 792 1HD2 LEU 92 1HD2 LEU 92 -14.419 -0.480 2.388 793 2HD2 LEU 92 2HD2 LEU 92 -13.509 -1.806 1.664 794 3HD2 LEU 92 3HD2 LEU 92 -15.269 -1.885 1.746 795 H GLU 93 H GLU 93 -17.886 1.383 -0.092 796 HA GLU 93 HA GLU 93 -17.782 4.047 -1.039 797 1HB GLU 93 2HB GLU 93 -19.851 1.905 -0.712 798 2HB GLU 93 1HB GLU 93 -20.380 3.512 -1.211 799 1HG GLU 93 2HG GLU 93 -18.005 2.408 -2.618 800 2HG GLU 93 1HG GLU 93 -19.554 1.644 -2.975 801 H GLY 94 H GLY 94 -19.835 2.739 1.602 802 1HA GLY 94 2HA GLY 94 -20.668 5.388 2.447 803 2HA GLY 94 1HA GLY 94 -20.968 3.886 3.321 804 H LEU 95 H LEU 95 -17.958 3.337 3.140 805 HA LEU 95 HA LEU 95 -17.113 3.962 5.689 806 1HB LEU 95 2HB LEU 95 -16.031 2.860 3.456 807 2HB LEU 95 1HB LEU 95 -15.105 4.359 3.538 808 HG LEU 95 HG LEU 95 -14.429 3.862 5.830 809 1HD1 LEU 95 1HD1 LEU 95 -16.382 1.600 5.476 810 2HD1 LEU 95 2HD1 LEU 95 -16.235 2.737 6.816 811 3HD1 LEU 95 3HD1 LEU 95 -15.050 1.446 6.620 812 1HD2 LEU 95 1HD2 LEU 95 -13.985 1.225 4.503 813 2HD2 LEU 95 2HD2 LEU 95 -12.819 2.313 5.257 814 3HD2 LEU 95 3HD2 LEU 95 -13.436 2.663 3.642 815 H ILE 96 H ILE 96 -17.356 6.175 2.968 816 HA ILE 96 HA ILE 96 -15.692 8.295 3.709 817 HB ILE 96 HB ILE 96 -18.459 8.150 2.501 818 1HG1 ILE 96 2HG1 ILE 96 -15.873 8.982 1.190 819 2HG1 ILE 96 1HG1 ILE 96 -16.280 7.276 1.380 820 1HG2 ILE 96 1HG2 ILE 96 -16.767 10.539 3.168 821 2HG2 ILE 96 2HG2 ILE 96 -18.518 10.353 3.259 822 3HG2 ILE 96 3HG2 ILE 96 -17.734 10.555 1.692 823 1HD1 ILE 96 1HD1 ILE 96 -18.241 7.487 0.053 824 2HD1 ILE 96 2HD1 ILE 96 -16.999 8.384 -0.821 825 3HD1 ILE 96 3HD1 ILE 96 -18.202 9.248 0.137 Start of MODEL 27 1 1H MET 1 1HT MET 1 -1.950 -13.527 12.517 2 2H MET 1 2HT MET 1 -0.276 -13.255 12.410 3 3H MET 1 3HT MET 1 -1.128 -13.860 11.071 4 HA MET 1 HA MET 1 -1.310 -11.131 12.236 5 1HB MET 1 2HB MET 1 0.574 -11.964 10.670 6 2HB MET 1 1HB MET 1 -0.680 -12.060 9.432 7 1HG MET 1 2HG MET 1 0.289 -9.897 9.183 8 2HG MET 1 1HG MET 1 -1.250 -9.641 10.003 9 1HE MET 1 1HE MET 1 0.976 -7.221 10.328 10 2HE MET 1 2HE MET 1 1.845 -8.552 9.566 11 3HE MET 1 3HE MET 1 2.467 -7.840 11.053 12 H LYS 2 H LYS 2 -2.155 -10.998 9.115 13 HA LYS 2 HA LYS 2 -4.956 -10.575 9.611 14 1HB LYS 2 2HB LYS 2 -3.407 -10.935 7.010 15 2HB LYS 2 1HB LYS 2 -4.950 -10.100 7.202 16 1HG LYS 2 2HG LYS 2 -2.335 -9.277 8.503 17 2HG LYS 2 1HG LYS 2 -3.098 -8.480 7.131 18 1HD LYS 2 2HD LYS 2 -4.075 -7.168 8.715 19 2HD LYS 2 1HD LYS 2 -5.161 -8.540 8.933 20 1HE LYS 2 2HE LYS 2 -3.990 -9.322 10.835 21 2HE LYS 2 1HE LYS 2 -2.546 -8.367 10.441 22 1HZ LYS 2 1HZ LYS 2 -3.820 -6.348 10.762 23 2HZ LYS 2 2HZ LYS 2 -3.879 -7.295 12.171 24 3HZ LYS 2 3HZ LYS 2 -5.214 -7.245 11.120 25 H THR 3 H THR 3 -6.415 -12.228 9.820 26 HA THR 3 HA THR 3 -6.214 -14.952 9.508 27 HB THR 3 HB THR 3 -8.221 -13.459 10.114 28 HG1 THR 3 1HG THR 3 -9.024 -15.498 8.385 29 1HG2 THR 3 1HG2 THR 3 -9.830 -13.106 8.230 30 2HG2 THR 3 2HG2 THR 3 -8.565 -13.616 7.112 31 3HG2 THR 3 3HG2 THR 3 -8.354 -12.152 8.073 32 H ALA 4 H ALA 4 -6.506 -12.514 7.053 33 HA ALA 4 HA ALA 4 -6.830 -14.099 4.684 34 1HB ALA 4 1HB ALA 4 -5.466 -11.941 3.891 35 2HB ALA 4 2HB ALA 4 -5.795 -11.415 5.541 36 3HB ALA 4 3HB ALA 4 -7.133 -11.786 4.447 37 H TYR 5 H TYR 5 -5.195 -15.764 5.905 38 HA TYR 5 HA TYR 5 -2.980 -16.557 6.259 39 1HB TYR 5 2HB TYR 5 -1.847 -16.820 3.973 40 2HB TYR 5 1HB TYR 5 -3.454 -17.506 4.127 41 HD1 TYR 5 1HD TYR 5 -5.403 -15.680 3.534 42 HD2 TYR 5 2HD TYR 5 -1.386 -15.686 2.017 43 HE1 TYR 5 1HE TYR 5 -6.143 -14.362 1.579 44 HE2 TYR 5 2HE TYR 5 -2.131 -14.361 0.052 45 HH TYR 5 HH TYR 5 -3.846 -13.054 -0.737 46 H ASP 6 H ASP 6 -3.339 -13.877 6.935 47 HA ASP 6 HA ASP 6 -2.113 -12.018 7.599 48 1HB ASP 6 2HB ASP 6 -0.576 -13.579 8.420 49 2HB ASP 6 1HB ASP 6 -0.011 -14.011 6.805 50 H VAL 7 H VAL 7 -3.303 -11.437 5.322 51 HA VAL 7 HA VAL 7 -1.190 -10.238 3.561 52 HB VAL 7 HB VAL 7 -3.907 -11.291 2.760 53 1HG1 VAL 7 1HG1 VAL 7 -3.241 -10.895 0.571 54 2HG1 VAL 7 2HG1 VAL 7 -1.524 -10.975 0.971 55 3HG1 VAL 7 3HG1 VAL 7 -2.467 -9.547 1.407 56 1HG2 VAL 7 1HG2 VAL 7 -1.623 -12.845 1.875 57 2HG2 VAL 7 2HG2 VAL 7 -3.103 -13.359 2.683 58 3HG2 VAL 7 3HG2 VAL 7 -1.738 -12.799 3.636 59 H ILE 8 H ILE 8 -4.261 -9.571 2.421 60 HA ILE 8 HA ILE 8 -4.134 -6.768 2.987 61 HB ILE 8 HB ILE 8 -6.478 -8.464 2.065 62 1HG1 ILE 8 2HG1 ILE 8 -4.791 -7.281 -0.012 63 2HG1 ILE 8 1HG1 ILE 8 -3.934 -8.493 0.940 64 1HG2 ILE 8 1HG2 ILE 8 -5.798 -5.852 0.816 65 2HG2 ILE 8 2HG2 ILE 8 -6.343 -5.763 2.494 66 3HG2 ILE 8 3HG2 ILE 8 -7.375 -6.504 1.270 67 1HD1 ILE 8 1HD1 ILE 8 -4.977 -10.050 -0.319 68 2HD1 ILE 8 2HD1 ILE 8 -6.071 -8.853 -1.011 69 3HD1 ILE 8 3HD1 ILE 8 -6.456 -9.612 0.533 70 H LEU 9 H LEU 9 -5.717 -5.524 4.232 71 HA LEU 9 HA LEU 9 -7.393 -6.993 6.180 72 1HB LEU 9 2HB LEU 9 -6.194 -5.457 7.972 73 2HB LEU 9 1HB LEU 9 -5.465 -6.986 7.486 74 HG LEU 9 HG LEU 9 -4.712 -4.781 5.720 75 1HD1 LEU 9 1HD1 LEU 9 -3.291 -4.550 8.293 76 2HD1 LEU 9 2HD1 LEU 9 -4.957 -3.971 8.327 77 3HD1 LEU 9 3HD1 LEU 9 -3.808 -3.286 7.178 78 1HD2 LEU 9 1HD2 LEU 9 -2.913 -6.455 7.457 79 2HD2 LEU 9 2HD2 LEU 9 -2.607 -5.817 5.842 80 3HD2 LEU 9 3HD2 LEU 9 -3.736 -7.153 6.063 81 H ALA 10 H ALA 10 -6.268 -3.739 6.811 82 HA ALA 10 HA ALA 10 -9.022 -2.728 6.416 83 1HB ALA 10 1HB ALA 10 -8.223 -0.876 7.738 84 2HB ALA 10 2HB ALA 10 -6.543 -1.322 7.442 85 3HB ALA 10 3HB ALA 10 -7.561 -2.344 8.455 86 HA PRO 11 HA PRO 11 -7.982 -0.842 2.560 87 1HB PRO 11 2HB PRO 11 -10.172 0.774 2.345 88 2HB PRO 11 1HB PRO 11 -10.240 -0.980 2.084 89 1HG PRO 11 2HG PRO 11 -11.092 0.615 4.432 90 2HG PRO 11 1HG PRO 11 -11.787 -0.864 3.757 91 1HD PRO 11 2HD PRO 11 -10.172 -0.750 5.998 92 2HD PRO 11 1HD PRO 11 -10.448 -2.202 5.012 93 H VAL 12 H VAL 12 -7.859 1.505 1.664 94 HA VAL 12 HA VAL 12 -6.910 3.325 3.851 95 HB VAL 12 HB VAL 12 -5.154 3.956 2.429 96 1HG1 VAL 12 1HG1 VAL 12 -5.541 1.263 2.816 97 2HG1 VAL 12 2HG1 VAL 12 -4.076 1.981 2.147 98 3HG1 VAL 12 3HG1 VAL 12 -5.321 1.351 1.069 99 1HG2 VAL 12 1HG2 VAL 12 -6.592 4.596 0.528 100 2HG2 VAL 12 2HG2 VAL 12 -6.792 2.896 0.105 101 3HG2 VAL 12 3HG2 VAL 12 -5.205 3.653 -0.025 102 H LEU 13 H LEU 13 -8.055 5.219 4.042 103 HA LEU 13 HA LEU 13 -9.924 5.945 1.830 104 1HB LEU 13 2HB LEU 13 -9.748 6.642 4.774 105 2HB LEU 13 1HB LEU 13 -10.944 7.335 3.681 106 HG LEU 13 HG LEU 13 -12.015 5.465 4.719 107 1HD1 LEU 13 1HD1 LEU 13 -11.776 5.668 2.019 108 2HD1 LEU 13 2HD1 LEU 13 -12.779 4.455 2.813 109 3HD1 LEU 13 3HD1 LEU 13 -11.157 4.035 2.266 110 1HD2 LEU 13 1HD2 LEU 13 -9.568 4.500 5.225 111 2HD2 LEU 13 2HD2 LEU 13 -9.941 3.515 3.810 112 3HD2 LEU 13 3HD2 LEU 13 -10.990 3.457 5.227 113 H SER 14 H SER 14 -9.045 7.431 0.450 114 HA SER 14 HA SER 14 -7.944 9.937 1.546 115 1HB SER 14 2HB SER 14 -6.293 8.117 -0.233 116 2HB SER 14 1HB SER 14 -5.778 9.650 0.464 117 HG SER 14 HG SER 14 -5.641 7.228 1.528 118 H GLU 15 H GLU 15 -7.618 11.545 -0.216 119 HA GLU 15 HA GLU 15 -9.712 11.602 -2.129 120 1HB GLU 15 2HB GLU 15 -7.010 12.987 -2.087 121 2HB GLU 15 1HB GLU 15 -8.399 13.507 -3.041 122 1HG GLU 15 2HG GLU 15 -9.588 14.219 -1.181 123 2HG GLU 15 1HG GLU 15 -8.757 13.105 -0.095 124 H LYS 16 H LYS 16 -6.216 11.033 -2.727 125 HA LYS 16 HA LYS 16 -6.369 10.417 -5.459 126 1HB LYS 16 2HB LYS 16 -4.448 10.582 -3.550 127 2HB LYS 16 1HB LYS 16 -4.513 8.833 -3.768 128 1HG LYS 16 2HG LYS 16 -2.940 9.490 -5.381 129 2HG LYS 16 1HG LYS 16 -4.433 9.388 -6.316 130 1HD LYS 16 2HD LYS 16 -4.778 11.829 -5.990 131 2HD LYS 16 1HD LYS 16 -3.238 11.912 -5.133 132 1HE LYS 16 2HE LYS 16 -2.465 10.629 -7.420 133 2HE LYS 16 1HE LYS 16 -3.754 11.681 -8.038 134 1HZ LYS 16 1HZ LYS 16 -1.523 12.552 -6.276 135 2HZ LYS 16 2HZ LYS 16 -2.755 13.548 -6.892 136 3HZ LYS 16 3HZ LYS 16 -1.619 12.847 -7.944 137 H ALA 17 H ALA 17 -7.399 8.545 -2.712 138 HA ALA 17 HA ALA 17 -7.592 6.053 -4.331 139 1HB ALA 17 1HB ALA 17 -7.101 5.159 -2.318 140 2HB ALA 17 2HB ALA 17 -8.611 5.802 -1.672 141 3HB ALA 17 3HB ALA 17 -7.138 6.768 -1.595 142 H TYR 18 H TYR 18 -9.693 8.066 -2.227 143 HA TYR 18 HA TYR 18 -12.155 6.835 -2.696 144 1HB TYR 18 2HB TYR 18 -11.156 9.559 -2.056 145 2HB TYR 18 1HB TYR 18 -12.829 9.464 -2.605 146 HD1 TYR 18 1HD TYR 18 -13.615 6.788 -1.576 147 HD2 TYR 18 2HD TYR 18 -11.346 9.932 0.271 148 HE1 TYR 18 1HE TYR 18 -14.299 5.965 0.663 149 HE2 TYR 18 2HE TYR 18 -12.033 9.113 2.509 150 HH TYR 18 HH TYR 18 -14.327 7.573 3.278 151 H ALA 19 H ALA 19 -10.384 9.068 -4.803 152 HA ALA 19 HA ALA 19 -12.582 9.105 -6.778 153 1HB ALA 19 1HB ALA 19 -10.337 10.719 -6.015 154 2HB ALA 19 2HB ALA 19 -11.620 11.114 -7.159 155 3HB ALA 19 3HB ALA 19 -10.160 10.298 -7.719 156 H GLY 20 H GLY 20 -9.936 7.135 -6.036 157 1HA GLY 20 2HA GLY 20 -9.591 6.235 -8.861 158 2HA GLY 20 1HA GLY 20 -8.474 5.877 -7.542 159 H PHE 21 H PHE 21 -10.292 5.103 -5.582 160 HA PHE 21 HA PHE 21 -10.798 2.367 -6.287 161 1HB PHE 21 2HB PHE 21 -11.039 2.260 -4.016 162 2HB PHE 21 1HB PHE 21 -10.572 3.952 -4.022 163 HD1 PHE 21 1HD PHE 21 -12.387 5.722 -4.156 164 HD2 PHE 21 2HD PHE 21 -13.221 1.584 -3.380 165 HE1 PHE 21 1HE PHE 21 -14.611 6.342 -3.256 166 HE2 PHE 21 2HE PHE 21 -15.447 2.199 -2.485 167 HZ PHE 21 HZ PHE 21 -16.145 4.579 -2.420 168 H ALA 22 H ALA 22 -12.528 5.285 -6.759 169 HA ALA 22 HA ALA 22 -15.219 4.490 -6.694 170 1HB ALA 22 1HB ALA 22 -15.512 6.593 -7.540 171 2HB ALA 22 2HB ALA 22 -14.343 6.332 -8.836 172 3HB ALA 22 3HB ALA 22 -13.784 6.733 -7.211 173 H GLU 23 H GLU 23 -12.712 3.682 -8.942 174 HA GLU 23 HA GLU 23 -14.552 2.901 -11.117 175 1HB GLU 23 2HB GLU 23 -11.943 3.784 -10.910 176 2HB GLU 23 1HB GLU 23 -11.731 2.056 -11.177 177 1HG GLU 23 2HG GLU 23 -13.348 2.262 -13.121 178 2HG GLU 23 1HG GLU 23 -13.240 4.011 -12.926 179 H GLY 24 H GLY 24 -14.282 1.541 -8.289 180 1HA GLY 24 2HA GLY 24 -14.918 -0.690 -7.725 181 2HA GLY 24 1HA GLY 24 -14.412 -1.193 -9.334 182 H LYS 25 H LYS 25 -12.110 0.865 -8.173 183 HA LYS 25 HA LYS 25 -10.178 -1.286 -7.708 184 1HB LYS 25 2HB LYS 25 -10.234 1.721 -7.921 185 2HB LYS 25 1HB LYS 25 -8.778 0.927 -7.335 186 1HG LYS 25 2HG LYS 25 -8.488 -0.266 -9.370 187 2HG LYS 25 1HG LYS 25 -10.132 0.087 -9.895 188 1HD LYS 25 2HD LYS 25 -9.567 2.485 -10.059 189 2HD LYS 25 1HD LYS 25 -7.915 2.125 -9.554 190 1HE LYS 25 2HE LYS 25 -9.228 0.904 -12.009 191 2HE LYS 25 1HE LYS 25 -8.148 2.313 -12.052 192 1HZ LYS 25 1HZ LYS 25 -7.526 -0.422 -11.091 193 2HZ LYS 25 2HZ LYS 25 -6.546 0.918 -10.733 194 3HZ LYS 25 3HZ LYS 25 -6.770 0.433 -12.345 195 H TYR 26 H TYR 26 -9.486 -1.946 -5.634 196 HA TYR 26 HA TYR 26 -10.414 -0.254 -3.341 197 1HB TYR 26 2HB TYR 26 -10.426 -3.272 -3.644 198 2HB TYR 26 1HB TYR 26 -10.888 -2.404 -2.179 199 HD1 TYR 26 1HD TYR 26 -12.452 -4.196 -4.451 200 HD2 TYR 26 2HD TYR 26 -12.308 -0.066 -3.281 201 HE1 TYR 26 1HE TYR 26 -14.736 -3.859 -5.357 202 HE2 TYR 26 2HE TYR 26 -14.591 0.270 -4.188 203 HH TYR 26 HH TYR 26 -16.020 -0.975 -6.074 204 H THR 27 H THR 27 -8.414 0.649 -2.861 205 HA THR 27 HA THR 27 -5.933 -0.815 -2.720 206 HB THR 27 HB THR 27 -6.556 1.803 -1.376 207 HG1 THR 27 1HG THR 27 -6.102 2.664 -3.556 208 1HG2 THR 27 1HG2 THR 27 -4.298 1.233 -1.110 209 2HG2 THR 27 2HG2 THR 27 -4.276 2.271 -2.535 210 3HG2 THR 27 3HG2 THR 27 -4.192 0.519 -2.719 211 H PHE 28 H PHE 28 -5.142 -1.910 -0.978 212 HA PHE 28 HA PHE 28 -6.542 -1.567 1.653 213 1HB PHE 28 2HB PHE 28 -5.452 -4.045 0.284 214 2HB PHE 28 1HB PHE 28 -6.131 -4.012 1.904 215 HD1 PHE 28 1HD PHE 28 -6.904 -5.033 -1.219 216 HD2 PHE 28 2HD PHE 28 -8.484 -2.437 1.812 217 HE1 PHE 28 1HE PHE 28 -9.183 -5.306 -2.167 218 HE2 PHE 28 2HE PHE 28 -10.759 -2.706 0.866 219 HZ PHE 28 HZ PHE 28 -11.108 -4.144 -1.125 220 H TRP 29 H TRP 29 -5.126 -2.207 3.508 221 HA TRP 29 HA TRP 29 -2.289 -1.436 3.029 222 1HB TRP 29 2HB TRP 29 -4.056 -1.777 5.483 223 2HB TRP 29 1HB TRP 29 -2.336 -1.410 5.586 224 HD1 TRP 29 HD TRP 29 -5.641 0.198 5.232 225 HE1 TRP 29 1HE TRP 29 -5.376 2.709 4.716 226 HE3 TRP 29 3HE TRP 29 -0.655 0.355 4.116 227 HZ2 TRP 29 2HZ TRP 29 -3.326 4.542 3.934 228 HZ3 TRP 29 3HZ TRP 29 0.425 2.498 3.492 229 HH2 TRP 29 HH TRP 29 -0.904 4.588 3.399 230 H VAL 30 H VAL 30 -0.889 -3.209 2.783 231 HA VAL 30 HA VAL 30 -1.591 -5.670 4.283 232 HB VAL 30 HB VAL 30 -2.765 -5.841 2.226 233 1HG1 VAL 30 1HG1 VAL 30 -1.041 -5.719 0.118 234 2HG1 VAL 30 2HG1 VAL 30 -0.358 -4.487 1.179 235 3HG1 VAL 30 3HG1 VAL 30 -2.036 -4.363 0.650 236 1HG2 VAL 30 1HG2 VAL 30 -1.281 -7.764 2.978 237 2HG2 VAL 30 2HG2 VAL 30 -0.202 -7.279 1.671 238 3HG2 VAL 30 3HG2 VAL 30 -1.852 -7.789 1.311 239 H HIS 31 H HIS 31 0.091 -7.289 4.166 240 HA HIS 31 HA HIS 31 2.689 -6.341 4.784 241 1HB HIS 31 2HB HIS 31 1.300 -8.710 4.853 242 2HB HIS 31 1HB HIS 31 2.500 -9.040 3.602 243 HD1 HIS 31 1HD HIS 31 3.015 -6.852 6.659 244 HD2 HIS 31 2HD HIS 31 4.355 -10.484 5.114 245 HE1 HIS 31 1HE HIS 31 4.896 -7.622 8.170 246 HA PRO 32 HA PRO 32 4.319 -5.497 0.769 247 1HB PRO 32 2HB PRO 32 6.950 -5.338 1.468 248 2HB PRO 32 1HB PRO 32 5.769 -4.077 1.850 249 1HG PRO 32 2HG PRO 32 6.901 -6.184 3.604 250 2HG PRO 32 1HG PRO 32 6.486 -4.506 3.980 251 1HD PRO 32 2HD PRO 32 4.928 -6.667 4.639 252 2HD PRO 32 1HD PRO 32 4.310 -5.015 4.429 253 H LYS 33 H LYS 33 3.728 -7.774 0.122 254 HA LYS 33 HA LYS 33 5.977 -9.226 -0.904 255 1HB LYS 33 2HB LYS 33 5.568 -11.222 0.730 256 2HB LYS 33 1HB LYS 33 6.509 -9.849 1.313 257 1HG LYS 33 2HG LYS 33 5.002 -9.480 2.941 258 2HG LYS 33 1HG LYS 33 3.722 -9.302 1.754 259 1HD LYS 33 2HD LYS 33 3.049 -11.117 3.149 260 2HD LYS 33 1HD LYS 33 3.645 -11.859 1.663 261 1HE LYS 33 2HE LYS 33 5.615 -12.621 2.675 262 2HE LYS 33 1HE LYS 33 5.540 -11.401 3.962 263 1HZ LYS 33 1HZ LYS 33 3.737 -13.732 3.593 264 2HZ LYS 33 2HZ LYS 33 3.433 -12.472 4.691 265 3HZ LYS 33 3HZ LYS 33 4.802 -13.458 4.883 266 H ALA 34 H ALA 34 2.636 -9.354 0.256 267 HA ALA 34 HA ALA 34 1.705 -11.646 -1.063 268 1HB ALA 34 1HB ALA 34 0.283 -8.987 -0.730 269 2HB ALA 34 2HB ALA 34 0.505 -10.158 0.570 270 3HB ALA 34 3HB ALA 34 -0.474 -10.576 -0.837 271 H THR 35 H THR 35 2.551 -11.905 -3.192 272 HA THR 35 HA THR 35 2.940 -10.085 -5.231 273 HB THR 35 HB THR 35 2.070 -12.089 -6.687 274 HG1 THR 35 1HG THR 35 1.636 -13.903 -5.556 275 1HG2 THR 35 1HG2 THR 35 4.441 -11.641 -6.192 276 2HG2 THR 35 2HG2 THR 35 4.103 -13.370 -6.129 277 3HG2 THR 35 3HG2 THR 35 4.271 -12.450 -4.635 278 H LYS 36 H LYS 36 1.610 -9.126 -6.859 279 HA LYS 36 HA LYS 36 -0.817 -7.983 -6.223 280 1HB LYS 36 2HB LYS 36 0.426 -8.936 -8.794 281 2HB LYS 36 1HB LYS 36 -1.165 -8.173 -8.823 282 1HG LYS 36 2HG LYS 36 0.598 -6.641 -7.137 283 2HG LYS 36 1HG LYS 36 1.358 -6.886 -8.710 284 1HD LYS 36 2HD LYS 36 -0.905 -6.195 -9.723 285 2HD LYS 36 1HD LYS 36 -1.317 -5.617 -8.108 286 1HE LYS 36 2HE LYS 36 -0.390 -3.739 -9.348 287 2HE LYS 36 1HE LYS 36 0.832 -4.246 -8.167 288 1HZ LYS 36 1HZ LYS 36 1.268 -5.894 -10.284 289 2HZ LYS 36 2HZ LYS 36 2.171 -4.502 -9.922 290 3HZ LYS 36 3HZ LYS 36 0.892 -4.422 -11.037 291 H THR 37 H THR 37 -0.349 -11.216 -7.660 292 HA THR 37 HA THR 37 -3.184 -11.790 -7.861 293 HB THR 37 HB THR 37 -0.633 -13.318 -8.047 294 HG1 THR 37 1HG THR 37 -0.870 -12.725 -10.023 295 1HG2 THR 37 1HG2 THR 37 -1.977 -15.272 -8.797 296 2HG2 THR 37 2HG2 THR 37 -3.438 -14.408 -8.318 297 3HG2 THR 37 3HG2 THR 37 -2.251 -14.877 -7.101 298 H GLU 38 H GLU 38 -0.623 -12.563 -5.516 299 HA GLU 38 HA GLU 38 -2.021 -14.385 -3.865 300 1HB GLU 38 2HB GLU 38 0.230 -12.467 -3.661 301 2HB GLU 38 1HB GLU 38 -0.485 -12.950 -2.123 302 1HG GLU 38 2HG GLU 38 -0.250 -15.345 -2.830 303 2HG GLU 38 1HG GLU 38 0.615 -14.792 -4.263 304 H ILE 39 H ILE 39 -1.950 -10.819 -3.753 305 HA ILE 39 HA ILE 39 -3.560 -10.414 -1.454 306 HB ILE 39 HB ILE 39 -2.974 -8.937 -4.017 307 1HG1 ILE 39 2HG1 ILE 39 -2.486 -8.040 -1.180 308 2HG1 ILE 39 1HG1 ILE 39 -1.411 -9.209 -1.949 309 1HG2 ILE 39 1HG2 ILE 39 -4.682 -7.838 -1.769 310 2HG2 ILE 39 2HG2 ILE 39 -5.329 -8.390 -3.313 311 3HG2 ILE 39 3HG2 ILE 39 -4.232 -7.012 -3.259 312 1HD1 ILE 39 1HD1 ILE 39 -0.525 -7.657 -3.370 313 2HD1 ILE 39 2HD1 ILE 39 -1.086 -6.514 -2.151 314 3HD1 ILE 39 3HD1 ILE 39 -2.065 -6.826 -3.583 315 H LYS 40 H LYS 40 -4.410 -11.258 -4.762 316 HA LYS 40 HA LYS 40 -7.173 -10.653 -4.822 317 1HB LYS 40 2HB LYS 40 -5.622 -11.432 -6.656 318 2HB LYS 40 1HB LYS 40 -5.746 -13.058 -5.994 319 1HG LYS 40 2HG LYS 40 -7.952 -13.309 -6.635 320 2HG LYS 40 1HG LYS 40 -8.281 -11.578 -6.560 321 1HD LYS 40 2HD LYS 40 -7.069 -11.185 -8.612 322 2HD LYS 40 1HD LYS 40 -6.487 -12.850 -8.644 323 1HE LYS 40 2HE LYS 40 -9.129 -13.357 -8.552 324 2HE LYS 40 1HE LYS 40 -9.176 -11.777 -9.362 325 1HZ LYS 40 1HZ LYS 40 -7.893 -14.270 -10.232 326 2HZ LYS 40 2HZ LYS 40 -7.166 -12.797 -10.663 327 3HZ LYS 40 3HZ LYS 40 -8.760 -13.133 -11.143 328 H ASN 41 H ASN 41 -5.528 -13.596 -3.684 329 HA ASN 41 HA ASN 41 -7.783 -15.215 -3.171 330 1HB ASN 41 2HB ASN 41 -5.036 -14.966 -1.947 331 2HB ASN 41 1HB ASN 41 -6.150 -16.248 -1.474 332 1HD2 ASN 41 1HD2 ASN 41 -4.163 -15.025 -4.136 333 2HD2 ASN 41 2HD2 ASN 41 -4.323 -16.398 -5.121 334 H ALA 42 H ALA 42 -6.114 -13.042 -0.821 335 HA ALA 42 HA ALA 42 -7.915 -13.658 1.336 336 1HB ALA 42 1HB ALA 42 -6.810 -11.100 1.738 337 2HB ALA 42 2HB ALA 42 -5.632 -11.976 0.760 338 3HB ALA 42 3HB ALA 42 -6.163 -12.641 2.307 339 H VAL 43 H VAL 43 -7.816 -10.815 -0.866 340 HA VAL 43 HA VAL 43 -10.044 -9.472 0.279 341 HB VAL 43 HB VAL 43 -8.224 -9.180 -1.845 342 1HG1 VAL 43 1HG1 VAL 43 -9.735 -10.090 -3.479 343 2HG1 VAL 43 2HG1 VAL 43 -9.777 -8.337 -3.659 344 3HG1 VAL 43 3HG1 VAL 43 -11.089 -9.168 -2.824 345 1HG2 VAL 43 1HG2 VAL 43 -9.559 -7.598 -0.089 346 2HG2 VAL 43 2HG2 VAL 43 -10.382 -7.169 -1.588 347 3HG2 VAL 43 3HG2 VAL 43 -8.633 -6.973 -1.455 348 H GLU 44 H GLU 44 -9.947 -11.804 -2.447 349 HA GLU 44 HA GLU 44 -12.711 -11.807 -3.070 350 1HB GLU 44 2HB GLU 44 -10.327 -13.348 -3.587 351 2HB GLU 44 1HB GLU 44 -11.685 -14.442 -3.326 352 1HG GLU 44 2HG GLU 44 -12.460 -12.167 -4.966 353 2HG GLU 44 1HG GLU 44 -11.111 -13.048 -5.685 354 H THR 45 H THR 45 -10.906 -13.750 -0.677 355 HA THR 45 HA THR 45 -13.296 -15.126 0.265 356 HB THR 45 HB THR 45 -10.417 -14.941 0.986 357 HG1 THR 45 1HG THR 45 -10.403 -16.939 0.221 358 1HG2 THR 45 1HG2 THR 45 -11.038 -16.779 2.730 359 2HG2 THR 45 2HG2 THR 45 -12.638 -16.040 2.678 360 3HG2 THR 45 3HG2 THR 45 -11.241 -15.085 3.174 361 H ALA 46 H ALA 46 -11.511 -12.234 1.118 362 HA ALA 46 HA ALA 46 -12.837 -11.915 3.725 363 1HB ALA 46 1HB ALA 46 -11.515 -9.807 3.716 364 2HB ALA 46 2HB ALA 46 -11.074 -10.110 2.036 365 3HB ALA 46 3HB ALA 46 -10.516 -11.201 3.304 366 H PHE 47 H PHE 47 -12.714 -9.863 0.781 367 HA PHE 47 HA PHE 47 -15.083 -8.369 1.520 368 1HB PHE 47 2HB PHE 47 -13.356 -8.689 -0.933 369 2HB PHE 47 1HB PHE 47 -14.796 -7.671 -0.966 370 HD1 PHE 47 1HD PHE 47 -14.990 -5.719 0.581 371 HD2 PHE 47 2HD PHE 47 -11.375 -8.014 0.243 372 HE1 PHE 47 1HE PHE 47 -13.728 -3.895 1.691 373 HE2 PHE 47 2HE PHE 47 -10.112 -6.190 1.352 374 HZ PHE 47 HZ PHE 47 -11.289 -4.130 2.076 375 H LYS 48 H LYS 48 -14.513 -11.363 -0.129 376 HA LYS 48 HA LYS 48 -16.005 -12.942 -1.029 377 1HB LYS 48 2HB LYS 48 -18.126 -11.146 0.179 378 2HB LYS 48 1HB LYS 48 -18.230 -12.884 -0.105 379 1HG LYS 48 2HG LYS 48 -15.905 -12.394 1.479 380 2HG LYS 48 1HG LYS 48 -17.257 -11.536 2.220 381 1HD LYS 48 2HD LYS 48 -17.673 -13.579 3.161 382 2HD LYS 48 1HD LYS 48 -18.468 -13.885 1.617 383 1HE LYS 48 2HE LYS 48 -15.712 -14.410 1.197 384 2HE LYS 48 1HE LYS 48 -16.157 -15.208 2.719 385 1HZ LYS 48 1HZ LYS 48 -17.242 -15.608 0.027 386 2HZ LYS 48 2HZ LYS 48 -18.306 -15.764 1.342 387 3HZ LYS 48 3HZ LYS 48 -16.926 -16.749 1.241 388 H VAL 49 H VAL 49 -15.135 -10.777 -2.653 389 HA VAL 49 HA VAL 49 -17.537 -10.331 -4.380 390 HB VAL 49 HB VAL 49 -15.946 -8.501 -3.093 391 1HG1 VAL 49 1HG1 VAL 49 -14.301 -7.594 -4.441 392 2HG1 VAL 49 2HG1 VAL 49 -15.026 -8.216 -5.923 393 3HG1 VAL 49 3HG1 VAL 49 -14.137 -9.301 -4.852 394 1HG2 VAL 49 1HG2 VAL 49 -18.133 -8.141 -4.161 395 2HG2 VAL 49 2HG2 VAL 49 -17.346 -8.124 -5.740 396 3HG2 VAL 49 3HG2 VAL 49 -16.989 -6.860 -4.561 397 H LYS 50 H LYS 50 -16.176 -9.483 -6.644 398 HA LYS 50 HA LYS 50 -14.646 -11.944 -7.419 399 1HB LYS 50 2HB LYS 50 -16.992 -11.123 -8.409 400 2HB LYS 50 1HB LYS 50 -15.937 -10.118 -9.405 401 1HG LYS 50 2HG LYS 50 -15.200 -12.992 -9.104 402 2HG LYS 50 1HG LYS 50 -16.591 -12.616 -10.125 403 1HD LYS 50 2HD LYS 50 -15.221 -11.051 -11.437 404 2HD LYS 50 1HD LYS 50 -13.831 -11.389 -10.405 405 1HE LYS 50 2HE LYS 50 -15.153 -13.772 -11.597 406 2HE LYS 50 1HE LYS 50 -14.267 -12.722 -12.722 407 1HZ LYS 50 1HZ LYS 50 -12.887 -14.451 -11.542 408 2HZ LYS 50 2HZ LYS 50 -13.154 -13.575 -10.110 409 3HZ LYS 50 3HZ LYS 50 -12.331 -12.855 -11.410 410 H VAL 51 H VAL 51 -12.496 -11.336 -7.267 411 HA VAL 51 HA VAL 51 -11.601 -8.616 -7.824 412 HB VAL 51 HB VAL 51 -10.277 -11.280 -7.268 413 1HG1 VAL 51 1HG1 VAL 51 -8.630 -10.165 -8.544 414 2HG1 VAL 51 2HG1 VAL 51 -8.222 -9.739 -6.881 415 3HG1 VAL 51 3HG1 VAL 51 -9.077 -8.585 -7.904 416 1HG2 VAL 51 1HG2 VAL 51 -11.200 -8.940 -5.707 417 2HG2 VAL 51 2HG2 VAL 51 -9.598 -9.536 -5.274 418 3HG2 VAL 51 3HG2 VAL 51 -10.989 -10.617 -5.202 419 H VAL 52 H VAL 52 -10.960 -7.836 -9.794 420 HA VAL 52 HA VAL 52 -10.605 -9.810 -12.020 421 HB VAL 52 HB VAL 52 -12.567 -8.275 -12.105 422 1HG1 VAL 52 1HG1 VAL 52 -12.423 -6.015 -11.922 423 2HG1 VAL 52 2HG1 VAL 52 -10.841 -5.951 -12.705 424 3HG1 VAL 52 3HG1 VAL 52 -10.965 -6.414 -11.011 425 1HG2 VAL 52 1HG2 VAL 52 -10.972 -7.130 -14.259 426 2HG2 VAL 52 2HG2 VAL 52 -12.378 -8.199 -14.348 427 3HG2 VAL 52 3HG2 VAL 52 -10.761 -8.874 -14.109 428 H LYS 53 H LYS 53 -8.994 -7.538 -10.067 429 HA LYS 53 HA LYS 53 -6.467 -7.889 -11.312 430 1HB LYS 53 2HB LYS 53 -6.448 -6.365 -13.004 431 2HB LYS 53 1HB LYS 53 -8.195 -6.328 -12.826 432 1HG LYS 53 2HG LYS 53 -8.163 -4.360 -11.589 433 2HG LYS 53 1HG LYS 53 -6.468 -4.531 -11.143 434 1HD LYS 53 2HD LYS 53 -5.826 -4.173 -13.507 435 2HD LYS 53 1HD LYS 53 -7.526 -3.948 -13.922 436 1HE LYS 53 2HE LYS 53 -7.022 -1.730 -13.556 437 2HE LYS 53 1HE LYS 53 -7.279 -2.175 -11.856 438 1HZ LYS 53 1HZ LYS 53 -4.671 -2.632 -13.162 439 2HZ LYS 53 2HZ LYS 53 -5.024 -2.492 -11.505 440 3HZ LYS 53 3HZ LYS 53 -5.043 -1.115 -12.500 441 H VAL 54 H VAL 54 -4.993 -7.333 -9.741 442 HA VAL 54 HA VAL 54 -5.898 -5.420 -7.628 443 HB VAL 54 HB VAL 54 -4.804 -8.053 -7.590 444 1HG1 VAL 54 1HG1 VAL 54 -2.900 -7.632 -5.963 445 2HG1 VAL 54 2HG1 VAL 54 -2.939 -5.942 -6.467 446 3HG1 VAL 54 3HG1 VAL 54 -2.545 -7.203 -7.638 447 1HG2 VAL 54 1HG2 VAL 54 -5.051 -6.208 -5.214 448 2HG2 VAL 54 2HG2 VAL 54 -5.353 -7.945 -5.290 449 3HG2 VAL 54 3HG2 VAL 54 -6.473 -6.822 -6.061 450 H ASN 55 H ASN 55 -4.587 -3.649 -7.131 451 HA ASN 55 HA ASN 55 -2.039 -3.394 -8.662 452 1HB ASN 55 2HB ASN 55 -4.500 -1.807 -8.704 453 2HB ASN 55 1HB ASN 55 -3.071 -0.823 -8.383 454 1HD2 ASN 55 1HD2 ASN 55 -3.152 0.146 -10.543 455 2HD2 ASN 55 2HD2 ASN 55 -2.725 -0.745 -11.922 456 H THR 56 H THR 56 -0.439 -3.317 -7.151 457 HA THR 56 HA THR 56 -1.062 -2.010 -4.539 458 HB THR 56 HB THR 56 0.176 -3.669 -3.569 459 HG1 THR 56 1HG THR 56 1.894 -3.560 -5.819 460 1HG2 THR 56 1HG2 THR 56 0.200 -5.776 -4.781 461 2HG2 THR 56 2HG2 THR 56 0.030 -4.931 -6.319 462 3HG2 THR 56 3HG2 THR 56 -1.294 -4.914 -5.152 463 H LEU 57 H LEU 57 0.691 -0.674 -3.592 464 HA LEU 57 HA LEU 57 2.722 0.336 -5.523 465 1HB LEU 57 2HB LEU 57 1.890 2.600 -5.331 466 2HB LEU 57 1HB LEU 57 0.523 1.569 -5.757 467 HG LEU 57 HG LEU 57 0.519 1.439 -3.003 468 1HD1 LEU 57 1HD1 LEU 57 1.234 3.380 -2.054 469 2HD1 LEU 57 2HD1 LEU 57 0.663 4.361 -3.403 470 3HD1 LEU 57 3HD1 LEU 57 2.215 3.529 -3.512 471 1HD2 LEU 57 1HD2 LEU 57 -1.589 1.793 -3.775 472 2HD2 LEU 57 2HD2 LEU 57 -1.022 2.757 -5.139 473 3HD2 LEU 57 3HD2 LEU 57 -1.221 3.504 -3.553 474 H HIS 58 H HIS 58 4.012 2.185 -4.304 475 HA HIS 58 HA HIS 58 5.054 1.035 -1.842 476 1HB HIS 58 2HB HIS 58 5.937 2.697 -3.868 477 2HB HIS 58 1HB HIS 58 5.759 3.810 -2.513 478 HD1 HIS 58 1HD HIS 58 8.406 2.219 -3.903 479 HD2 HIS 58 2HD HIS 58 6.810 1.910 -0.061 480 HE1 HIS 58 1HE HIS 58 10.261 1.326 -2.428 481 H VAL 59 H VAL 59 4.518 1.610 0.244 482 HA VAL 59 HA VAL 59 2.691 3.963 0.575 483 HB VAL 59 HB VAL 59 2.257 2.246 2.738 484 1HG1 VAL 59 1HG1 VAL 59 0.554 3.515 1.520 485 2HG1 VAL 59 2HG1 VAL 59 0.097 1.813 1.592 486 3HG1 VAL 59 3HG1 VAL 59 0.770 2.482 0.105 487 1HG2 VAL 59 1HG2 VAL 59 2.235 0.565 0.218 488 2HG2 VAL 59 2HG2 VAL 59 1.959 0.034 1.875 489 3HG2 VAL 59 3HG2 VAL 59 3.572 0.522 1.364 490 H ARG 60 H ARG 60 3.617 5.536 1.746 491 HA ARG 60 HA ARG 60 6.118 5.747 2.797 492 1HB ARG 60 2HB ARG 60 3.444 6.801 3.687 493 2HB ARG 60 1HB ARG 60 4.905 7.260 4.563 494 1HG ARG 60 2HG ARG 60 4.791 8.944 2.954 495 2HG ARG 60 1HG ARG 60 5.842 7.773 2.159 496 1HD ARG 60 2HD ARG 60 2.976 7.262 1.698 497 2HD ARG 60 1HD ARG 60 3.548 8.806 1.035 498 HE ARG 60 HE ARG 60 4.496 6.129 0.219 499 1HH1 ARG 60 1HH1 ARG 60 4.014 9.264 -0.759 500 2HH1 ARG 60 2HH1 ARG 60 5.483 9.414 -1.664 501 1HH2 ARG 60 1HH2 ARG 60 6.814 6.430 -0.504 502 2HH2 ARG 60 2HH2 ARG 60 7.068 7.809 -1.520 503 H GLY 61 H GLY 61 7.102 4.090 3.930 504 1HA GLY 61 2HA GLY 61 7.077 3.702 6.591 505 2HA GLY 61 1HA GLY 61 5.666 2.750 6.132 506 H LYS 62 H LYS 62 9.038 2.698 6.459 507 HA LYS 62 HA LYS 62 9.205 0.178 4.835 508 1HB LYS 62 2HB LYS 62 11.516 0.794 4.439 509 2HB LYS 62 1HB LYS 62 10.518 2.208 4.094 510 1HG LYS 62 2HG LYS 62 10.939 2.903 6.527 511 2HG LYS 62 1HG LYS 62 12.203 1.674 6.545 512 1HD LYS 62 2HD LYS 62 13.559 2.846 5.103 513 2HD LYS 62 1HD LYS 62 12.197 3.573 4.248 514 1HE LYS 62 2HE LYS 62 11.767 4.931 6.390 515 2HE LYS 62 1HE LYS 62 13.382 4.405 6.907 516 1HZ LYS 62 1HZ LYS 62 14.322 5.267 4.895 517 2HZ LYS 62 2HZ LYS 62 13.415 6.505 5.621 518 3HZ LYS 62 3HZ LYS 62 12.792 5.666 4.282 519 H LYS 63 H LYS 63 11.654 -0.709 5.871 520 HA LYS 63 HA LYS 63 10.830 -1.923 8.371 521 1HB LYS 63 2HB LYS 63 13.454 -1.811 6.850 522 2HB LYS 63 1HB LYS 63 13.139 -2.892 8.207 523 1HG LYS 63 2HG LYS 63 10.950 -3.208 6.457 524 2HG LYS 63 1HG LYS 63 12.385 -3.199 5.431 525 1HD LYS 63 2HD LYS 63 13.089 -4.750 7.667 526 2HD LYS 63 1HD LYS 63 11.455 -5.261 7.245 527 1HE LYS 63 2HE LYS 63 12.141 -6.231 5.295 528 2HE LYS 63 1HE LYS 63 13.255 -4.901 4.924 529 1HZ LYS 63 1HZ LYS 63 14.406 -6.999 5.515 530 2HZ LYS 63 2HZ LYS 63 13.708 -6.913 7.062 531 3HZ LYS 63 3HZ LYS 63 14.792 -5.710 6.549 532 H LYS 64 H LYS 64 13.239 -1.888 9.845 533 HA LYS 64 HA LYS 64 14.376 -0.604 11.471 534 1HB LYS 64 2HB LYS 64 14.368 0.786 8.971 535 2HB LYS 64 1HB LYS 64 14.154 1.979 10.252 536 1HG LYS 64 2HG LYS 64 16.137 1.187 11.402 537 2HG LYS 64 1HG LYS 64 16.313 -0.148 10.261 538 1HD LYS 64 2HD LYS 64 16.258 2.689 9.261 539 2HD LYS 64 1HD LYS 64 17.751 2.008 9.908 540 1HE LYS 64 2HE LYS 64 16.928 -0.017 8.250 541 2HE LYS 64 1HE LYS 64 16.379 1.417 7.360 542 1HZ LYS 64 1HZ LYS 64 18.597 2.404 7.801 543 2HZ LYS 64 2HZ LYS 64 18.657 1.033 6.800 544 3HZ LYS 64 3HZ LYS 64 19.103 0.914 8.435 545 H ARG 65 H ARG 65 11.967 -1.059 12.401 546 HA ARG 65 HA ARG 65 10.686 1.582 13.004 547 1HB ARG 65 2HB ARG 65 8.670 0.285 13.344 548 2HB ARG 65 1HB ARG 65 9.400 -0.257 11.833 549 1HG ARG 65 2HG ARG 65 10.621 -1.998 13.385 550 2HG ARG 65 1HG ARG 65 9.289 -1.653 14.488 551 1HD ARG 65 2HD ARG 65 7.755 -2.059 12.419 552 2HD ARG 65 1HD ARG 65 9.175 -2.871 11.731 553 HE ARG 65 HE ARG 65 8.603 -3.676 14.483 554 1HH1 ARG 65 1HH1 ARG 65 9.399 -4.883 11.541 555 2HH1 ARG 65 2HH1 ARG 65 8.301 -6.222 11.554 556 1HH2 ARG 65 1HH2 ARG 65 6.558 -5.110 14.338 557 2HH2 ARG 65 2HH2 ARG 65 6.692 -6.350 13.136 558 H LEU 66 H LEU 66 12.695 -0.788 14.337 559 HA LEU 66 HA LEU 66 11.928 -1.314 16.924 560 1HB LEU 66 2HB LEU 66 14.450 -0.743 15.495 561 2HB LEU 66 1HB LEU 66 14.549 -0.579 17.248 562 HG LEU 66 HG LEU 66 13.658 -2.836 17.545 563 1HD1 LEU 66 1HD1 LEU 66 13.664 -3.020 14.518 564 2HD1 LEU 66 2HD1 LEU 66 12.213 -2.763 15.487 565 3HD1 LEU 66 3HD1 LEU 66 13.132 -4.259 15.654 566 1HD2 LEU 66 1HD2 LEU 66 16.160 -2.178 16.458 567 2HD2 LEU 66 2HD2 LEU 66 15.617 -3.572 15.522 568 3HD2 LEU 66 3HD2 LEU 66 15.737 -3.681 17.278 569 H GLY 67 H GLY 67 10.949 0.076 18.359 570 1HA GLY 67 2HA GLY 67 11.209 2.912 18.257 571 2HA GLY 67 1HA GLY 67 10.483 2.010 19.580 572 H ARG 68 H ARG 68 13.806 2.335 18.244 573 HA ARG 68 HA ARG 68 14.710 3.117 20.964 574 1HB ARG 68 2HB ARG 68 16.187 1.319 21.095 575 2HB ARG 68 1HB ARG 68 14.831 0.596 20.239 576 1HG ARG 68 2HG ARG 68 15.971 1.120 18.075 577 2HG ARG 68 1HG ARG 68 17.369 1.683 18.994 578 1HD ARG 68 2HD ARG 68 17.180 -0.690 20.156 579 2HD ARG 68 1HD ARG 68 16.338 -1.114 18.652 580 HE ARG 68 HE ARG 68 18.341 -0.407 17.406 581 1HH1 ARG 68 1HH2 ARG 68 19.071 -2.313 19.824 582 2HH1 ARG 68 2HH2 ARG 68 20.583 -1.605 20.284 583 1HH2 ARG 68 1HH1 ARG 68 20.096 1.284 18.429 584 2HH2 ARG 68 2HH1 ARG 68 21.163 0.432 19.493 585 H TYR 69 H TYR 69 14.345 4.328 18.290 586 HA TYR 69 HA TYR 69 16.842 5.868 18.208 587 1HB TYR 69 2HB TYR 69 17.474 3.922 16.925 588 2HB TYR 69 1HB TYR 69 15.956 3.966 16.028 589 HD1 TYR 69 1HD TYR 69 15.921 5.005 13.935 590 HD2 TYR 69 2HD TYR 69 18.917 6.142 16.795 591 HE1 TYR 69 1HE TYR 69 16.961 6.500 12.251 592 HE2 TYR 69 2HE TYR 69 19.957 7.636 15.112 593 HH TYR 69 HH TYR 69 19.290 7.476 11.852 594 H LEU 70 H LEU 70 14.352 6.839 18.797 595 HA LEU 70 HA LEU 70 12.616 8.290 18.068 596 1HB LEU 70 2HB LEU 70 15.179 9.219 17.641 597 2HB LEU 70 1HB LEU 70 14.409 9.481 16.078 598 HG LEU 70 HG LEU 70 12.447 10.360 17.749 599 1HD1 LEU 70 1HD1 LEU 70 14.133 9.968 19.657 600 2HD1 LEU 70 2HD1 LEU 70 13.352 11.548 19.595 601 3HD1 LEU 70 3HD1 LEU 70 15.005 11.358 19.010 602 1HD2 LEU 70 1HD2 LEU 70 12.805 12.249 16.557 603 2HD2 LEU 70 2HD2 LEU 70 14.200 11.431 15.854 604 3HD2 LEU 70 3HD2 LEU 70 14.406 12.470 17.264 605 H GLY 71 H GLY 71 12.638 5.812 16.685 606 1HA GLY 71 2HA GLY 71 11.662 6.677 13.992 607 2HA GLY 71 1HA GLY 71 12.533 5.160 14.220 608 H LYS 72 H LYS 72 9.981 5.120 13.107 609 HA LYS 72 HA LYS 72 8.611 3.239 14.778 610 1HB LYS 72 2HB LYS 72 6.673 4.751 15.369 611 2HB LYS 72 1HB LYS 72 8.182 5.173 16.178 612 1HG LYS 72 2HG LYS 72 8.551 6.730 14.101 613 2HG LYS 72 1HG LYS 72 6.804 6.573 13.905 614 1HD LYS 72 2HD LYS 72 7.212 8.524 15.269 615 2HD LYS 72 1HD LYS 72 6.552 7.267 16.316 616 1HE LYS 72 2HE LYS 72 8.815 6.689 17.092 617 2HE LYS 72 1HE LYS 72 9.508 7.913 16.008 618 1HZ LYS 72 1HZ LYS 72 8.256 9.615 17.108 619 2HZ LYS 72 2HZ LYS 72 9.118 8.750 18.290 620 3HZ LYS 72 3HZ LYS 72 7.455 8.479 18.079 621 H ARG 73 H ARG 73 9.139 2.927 12.176 622 HA ARG 73 HA ARG 73 6.466 3.184 10.882 623 1HB ARG 73 2HB ARG 73 8.920 4.622 10.250 624 2HB ARG 73 1HB ARG 73 8.340 3.696 8.865 625 1HG ARG 73 2HG ARG 73 6.781 5.736 10.474 626 2HG ARG 73 1HG ARG 73 7.287 5.870 8.791 627 1HD ARG 73 2HD ARG 73 5.239 5.015 8.276 628 2HD ARG 73 1HD ARG 73 5.878 3.463 8.854 629 HE ARG 73 HE ARG 73 4.584 3.736 10.808 630 1HH1 ARG 73 1HH1 ARG 73 5.267 6.778 9.329 631 2HH1 ARG 73 2HH1 ARG 73 4.175 7.662 10.341 632 1HH2 ARG 73 1HH2 ARG 73 3.082 4.865 12.070 633 2HH2 ARG 73 2HH2 ARG 73 2.940 6.581 11.890 634 HA PRO 74 HA PRO 74 7.908 -0.979 10.030 635 1HB PRO 74 2HB PRO 74 5.446 -1.993 9.460 636 2HB PRO 74 1HB PRO 74 6.016 -1.733 11.119 637 1HG PRO 74 2HG PRO 74 4.092 -0.168 9.519 638 2HG PRO 74 1HG PRO 74 4.176 -0.412 11.269 639 1HD PRO 74 2HD PRO 74 5.017 1.864 9.879 640 2HD PRO 74 1HD PRO 74 5.421 1.458 11.558 641 H ASP 75 H ASP 75 6.732 -2.500 8.073 642 HA ASP 75 HA ASP 75 7.094 -0.866 5.598 643 1HB ASP 75 2HB ASP 75 8.630 -2.904 6.492 644 2HB ASP 75 1HB ASP 75 7.411 -3.831 5.617 645 H ARG 76 H ARG 76 4.844 -0.396 5.469 646 HA ARG 76 HA ARG 76 2.946 -2.671 5.293 647 1HB ARG 76 2HB ARG 76 1.311 -1.065 5.742 648 2HB ARG 76 1HB ARG 76 2.707 -0.363 6.552 649 1HG ARG 76 2HG ARG 76 1.925 0.329 3.705 650 2HG ARG 76 1HG ARG 76 1.385 1.248 5.106 651 1HD ARG 76 2HD ARG 76 4.261 0.817 4.227 652 2HD ARG 76 1HD ARG 76 3.369 2.349 4.249 653 HE ARG 76 HE ARG 76 4.590 1.108 6.556 654 1HH1 ARG 76 1HH2 ARG 76 1.545 1.057 7.006 655 2HH1 ARG 76 2HH2 ARG 76 1.324 2.543 7.863 656 1HH2 ARG 76 1HH1 ARG 76 4.429 3.818 7.009 657 2HH2 ARG 76 2HH1 ARG 76 2.950 4.102 7.865 658 H LYS 77 H LYS 77 1.608 -2.959 3.399 659 HA LYS 77 HA LYS 77 2.716 -1.703 0.908 660 1HB LYS 77 2HB LYS 77 3.210 -4.183 1.484 661 2HB LYS 77 1HB LYS 77 1.511 -4.466 1.105 662 1HG LYS 77 2HG LYS 77 1.886 -3.370 -1.121 663 2HG LYS 77 1HG LYS 77 3.606 -3.288 -0.741 664 1HD LYS 77 2HD LYS 77 3.922 -5.510 -1.109 665 2HD LYS 77 1HD LYS 77 2.391 -5.949 -0.349 666 1HE LYS 77 2HE LYS 77 1.801 -6.434 -2.525 667 2HE LYS 77 1HE LYS 77 1.471 -4.691 -2.585 668 1HZ LYS 77 1HZ LYS 77 4.221 -5.644 -2.991 669 2HZ LYS 77 2HZ LYS 77 3.467 -4.244 -3.591 670 3HZ LYS 77 3HZ LYS 77 3.124 -5.759 -4.280 671 H LYS 78 H LYS 78 1.159 -0.977 -0.588 672 HA LYS 78 HA LYS 78 -1.662 -1.000 0.377 673 1HB LYS 78 2HB LYS 78 0.084 0.926 -0.678 674 2HB LYS 78 1HB LYS 78 -1.062 0.600 -1.979 675 1HG LYS 78 2HG LYS 78 -2.842 0.768 -0.033 676 2HG LYS 78 1HG LYS 78 -1.575 1.700 0.762 677 1HD LYS 78 2HD LYS 78 -2.263 2.333 -2.086 678 2HD LYS 78 1HD LYS 78 -3.323 2.914 -0.801 679 1HE LYS 78 2HE LYS 78 -1.019 3.686 0.291 680 2HE LYS 78 1HE LYS 78 -0.491 3.678 -1.404 681 1HZ LYS 78 1HZ LYS 78 -2.348 5.041 -2.005 682 2HZ LYS 78 2HZ LYS 78 -1.537 5.802 -0.721 683 3HZ LYS 78 3HZ LYS 78 -2.987 4.964 -0.436 684 H ALA 79 H ALA 79 -3.283 -2.035 -0.850 685 HA ALA 79 HA ALA 79 -2.452 -3.178 -3.498 686 1HB ALA 79 1HB ALA 79 -4.333 -4.655 -1.770 687 2HB ALA 79 2HB ALA 79 -2.645 -4.617 -1.248 688 3HB ALA 79 3HB ALA 79 -3.066 -5.266 -2.838 689 H ILE 80 H ILE 80 -3.825 -2.389 -5.040 690 HA ILE 80 HA ILE 80 -6.593 -1.658 -4.248 691 HB ILE 80 HB ILE 80 -5.108 -1.184 -6.838 692 1HG1 ILE 80 2HG1 ILE 80 -5.247 0.511 -4.327 693 2HG1 ILE 80 1HG1 ILE 80 -3.800 -0.219 -5.022 694 1HG2 ILE 80 1HG2 ILE 80 -6.740 0.570 -7.176 695 2HG2 ILE 80 2HG2 ILE 80 -7.395 0.335 -5.555 696 3HG2 ILE 80 3HG2 ILE 80 -7.614 -0.911 -6.782 697 1HD1 ILE 80 1HD1 ILE 80 -4.025 2.189 -5.615 698 2HD1 ILE 80 2HD1 ILE 80 -5.547 1.815 -6.426 699 3HD1 ILE 80 3HD1 ILE 80 -4.033 1.137 -7.033 700 H VAL 81 H VAL 81 -7.951 -3.427 -4.441 701 HA VAL 81 HA VAL 81 -7.477 -5.369 -6.642 702 HB VAL 81 HB VAL 81 -9.418 -5.339 -4.307 703 1HG1 VAL 81 1HG1 VAL 81 -8.646 -7.928 -5.373 704 2HG1 VAL 81 2HG1 VAL 81 -9.383 -6.924 -6.623 705 3HG1 VAL 81 3HG1 VAL 81 -10.260 -7.262 -5.130 706 1HG2 VAL 81 1HG2 VAL 81 -6.658 -5.568 -4.228 707 2HG2 VAL 81 2HG2 VAL 81 -7.189 -7.248 -4.287 708 3HG2 VAL 81 3HG2 VAL 81 -7.765 -6.186 -3.003 709 H GLN 82 H GLN 82 -8.732 -5.303 -8.490 710 HA GLN 82 HA GLN 82 -11.027 -3.406 -8.525 711 1HB GLN 82 2HB GLN 82 -9.072 -3.505 -10.222 712 2HB GLN 82 1HB GLN 82 -9.828 -4.970 -10.809 713 1HG GLN 82 2HG GLN 82 -11.085 -3.638 -12.118 714 2HG GLN 82 1HG GLN 82 -11.955 -3.223 -10.643 715 1HE2 GLN 82 1HE2 GLN 82 -12.312 -1.026 -11.582 716 2HE2 GLN 82 2HE2 GLN 82 -11.054 0.114 -11.555 717 H VAL 83 H VAL 83 -13.082 -4.170 -9.307 718 HA VAL 83 HA VAL 83 -13.297 -7.140 -9.271 719 HB VAL 83 HB VAL 83 -15.319 -6.974 -8.094 720 1HG1 VAL 83 1HG1 VAL 83 -13.892 -4.530 -7.032 721 2HG1 VAL 83 2HG1 VAL 83 -13.232 -6.152 -6.825 722 3HG1 VAL 83 3HG1 VAL 83 -14.799 -5.742 -6.127 723 1HG2 VAL 83 1HG2 VAL 83 -16.621 -4.900 -7.902 724 2HG2 VAL 83 2HG2 VAL 83 -16.328 -5.295 -9.601 725 3HG2 VAL 83 3HG2 VAL 83 -15.382 -4.025 -8.807 726 H ALA 84 H ALA 84 -14.929 -7.984 -10.718 727 HA ALA 84 HA ALA 84 -14.915 -6.672 -13.286 728 1HB ALA 84 1HB ALA 84 -15.237 -8.852 -13.716 729 2HB ALA 84 2HB ALA 84 -16.910 -8.650 -13.182 730 3HB ALA 84 3HB ALA 84 -15.673 -9.155 -12.032 731 HA PRO 85 HA PRO 85 -18.695 -4.454 -13.267 732 1HB PRO 85 2HB PRO 85 -20.054 -5.364 -15.464 733 2HB PRO 85 1HB PRO 85 -18.611 -4.352 -15.576 734 1HG PRO 85 2HG PRO 85 -18.891 -7.254 -15.946 735 2HG PRO 85 1HG PRO 85 -17.860 -6.109 -16.798 736 1HD PRO 85 2HD PRO 85 -16.963 -7.802 -14.836 737 2HD PRO 85 1HD PRO 85 -16.190 -6.262 -15.243 738 H GLY 86 H GLY 86 -20.722 -4.584 -12.300 739 1HA GLY 86 2HA GLY 86 -22.866 -5.772 -11.978 740 2HA GLY 86 1HA GLY 86 -21.973 -7.289 -12.087 741 H GLN 87 H GLN 87 -19.776 -6.492 -10.388 742 HA GLN 87 HA GLN 87 -21.189 -6.611 -7.757 743 1HB GLN 87 2HB GLN 87 -18.899 -7.477 -7.040 744 2HB GLN 87 1HB GLN 87 -19.760 -8.487 -8.198 745 1HG GLN 87 2HG GLN 87 -18.142 -6.442 -9.514 746 2HG GLN 87 1HG GLN 87 -17.173 -7.506 -8.496 747 1HE2 GLN 87 1HE2 GLN 87 -20.181 -8.618 -10.007 748 2HE2 GLN 87 2HE2 GLN 87 -19.440 -9.686 -11.097 749 H LYS 88 H LYS 88 -19.698 -5.642 -5.937 750 HA LYS 88 HA LYS 88 -17.942 -3.447 -6.491 751 1HB LYS 88 2HB LYS 88 -19.682 -1.649 -5.906 752 2HB LYS 88 1HB LYS 88 -19.832 -2.383 -7.502 753 1HG LYS 88 2HG LYS 88 -21.861 -3.231 -7.009 754 2HG LYS 88 1HG LYS 88 -21.270 -3.921 -5.496 755 1HD LYS 88 2HD LYS 88 -21.982 -2.143 -4.255 756 2HD LYS 88 1HD LYS 88 -21.573 -0.975 -5.512 757 1HE LYS 88 2HE LYS 88 -23.756 -0.881 -6.103 758 2HE LYS 88 1HE LYS 88 -23.707 -2.610 -6.503 759 1HZ LYS 88 1HZ LYS 88 -25.262 -2.418 -4.764 760 2HZ LYS 88 2HZ LYS 88 -24.272 -1.360 -3.875 761 3HZ LYS 88 3HZ LYS 88 -23.849 -2.999 -4.027 762 H ILE 89 H ILE 89 -16.785 -3.615 -4.599 763 HA ILE 89 HA ILE 89 -17.757 -4.679 -2.141 764 HB ILE 89 HB ILE 89 -15.453 -2.838 -2.847 765 1HG1 ILE 89 2HG1 ILE 89 -15.755 -5.832 -2.486 766 2HG1 ILE 89 1HG1 ILE 89 -15.274 -4.972 -3.947 767 1HG2 ILE 89 1HG2 ILE 89 -15.951 -2.638 -0.455 768 2HG2 ILE 89 2HG2 ILE 89 -14.478 -3.582 -0.680 769 3HG2 ILE 89 3HG2 ILE 89 -15.995 -4.393 -0.299 770 1HD1 ILE 89 1HD1 ILE 89 -13.670 -5.690 -1.570 771 2HD1 ILE 89 2HD1 ILE 89 -13.407 -4.058 -2.182 772 3HD1 ILE 89 3HD1 ILE 89 -13.161 -5.447 -3.241 773 H GLU 90 H GLU 90 -19.460 -3.726 -1.069 774 HA GLU 90 HA GLU 90 -19.938 -0.846 -1.100 775 1HB GLU 90 2HB GLU 90 -21.846 -1.481 0.291 776 2HB GLU 90 1HB GLU 90 -21.680 -2.643 -1.027 777 1HG GLU 90 2HG GLU 90 -20.464 -4.177 0.480 778 2HG GLU 90 1HG GLU 90 -20.646 -3.020 1.800 779 H ALA 91 H ALA 91 -18.001 -2.948 0.825 780 HA ALA 91 HA ALA 91 -18.138 -1.808 3.403 781 1HB ALA 91 1HB ALA 91 -15.774 -2.868 1.822 782 2HB ALA 91 2HB ALA 91 -16.879 -3.825 2.810 783 3HB ALA 91 3HB ALA 91 -15.797 -2.659 3.572 784 H LEU 92 H LEU 92 -16.633 -0.563 0.472 785 HA LEU 92 HA LEU 92 -15.489 1.727 2.025 786 1HB LEU 92 2HB LEU 92 -14.941 1.427 -0.877 787 2HB LEU 92 1HB LEU 92 -13.826 1.781 0.438 788 HG LEU 92 HG LEU 92 -14.968 -0.929 -0.287 789 1HD1 LEU 92 1HD1 LEU 92 -12.850 0.382 -1.407 790 2HD1 LEU 92 2HD1 LEU 92 -12.963 -1.373 -1.283 791 3HD1 LEU 92 3HD1 LEU 92 -12.053 -0.461 -0.079 792 1HD2 LEU 92 1HD2 LEU 92 -12.993 -1.348 1.578 793 2HD2 LEU 92 2HD2 LEU 92 -14.719 -1.319 1.944 794 3HD2 LEU 92 3HD2 LEU 92 -13.742 0.132 2.179 795 H GLU 93 H GLU 93 -17.897 0.820 -0.317 796 HA GLU 93 HA GLU 93 -18.399 3.239 -1.661 797 1HB GLU 93 2HB GLU 93 -20.155 0.987 -0.660 798 2HB GLU 93 1HB GLU 93 -20.791 2.285 -1.672 799 1HG GLU 93 2HG GLU 93 -18.303 0.853 -2.542 800 2HG GLU 93 1HG GLU 93 -19.868 0.075 -2.784 801 H GLY 94 H GLY 94 -19.015 2.364 1.667 802 1HA GLY 94 2HA GLY 94 -20.715 4.769 2.064 803 2HA GLY 94 1HA GLY 94 -20.474 3.479 3.245 804 H LEU 95 H LEU 95 -17.599 3.377 3.000 805 HA LEU 95 HA LEU 95 -16.731 5.131 4.994 806 1HB LEU 95 2HB LEU 95 -15.569 3.474 2.848 807 2HB LEU 95 1HB LEU 95 -14.515 4.778 3.397 808 HG LEU 95 HG LEU 95 -14.591 4.009 5.664 809 1HD1 LEU 95 1HD1 LEU 95 -16.944 2.463 4.652 810 2HD1 LEU 95 2HD1 LEU 95 -16.758 3.361 6.158 811 3HD1 LEU 95 3HD1 LEU 95 -16.008 1.776 5.980 812 1HD2 LEU 95 1HD2 LEU 95 -14.002 1.492 5.315 813 2HD2 LEU 95 2HD2 LEU 95 -12.996 2.704 4.521 814 3HD2 LEU 95 3HD2 LEU 95 -14.228 1.840 3.601 815 H ILE 96 H ILE 96 -17.042 5.726 1.522 816 HA ILE 96 HA ILE 96 -15.528 8.093 1.242 817 HB ILE 96 HB ILE 96 -17.063 8.495 -0.661 818 1HG1 ILE 96 2HG1 ILE 96 -18.691 6.224 0.519 819 2HG1 ILE 96 1HG1 ILE 96 -19.145 7.925 0.624 820 1HG2 ILE 96 1HG2 ILE 96 -17.018 5.965 -1.484 821 2HG2 ILE 96 2HG2 ILE 96 -16.020 5.758 -0.043 822 3HG2 ILE 96 3HG2 ILE 96 -15.525 6.888 -1.304 823 1HD1 ILE 96 1HD1 ILE 96 -19.406 6.076 -1.622 824 2HD1 ILE 96 2HD1 ILE 96 -18.573 7.563 -2.076 825 3HD1 ILE 96 3HD1 ILE 96 -20.184 7.638 -1.361 Start of MODEL 28 1 1H MET 1 1HT MET 1 -6.702 -4.963 9.445 2 2H MET 1 2HT MET 1 -5.284 -5.036 10.377 3 3H MET 1 3HT MET 1 -6.784 -4.768 11.128 4 HA MET 1 HA MET 1 -5.846 -7.112 11.303 5 1HB MET 1 2HB MET 1 -8.236 -7.957 10.634 6 2HB MET 1 1HB MET 1 -8.082 -6.783 11.946 7 1HG MET 1 2HG MET 1 -8.458 -4.960 10.231 8 2HG MET 1 1HG MET 1 -8.821 -6.229 9.058 9 1HE MET 1 1HE MET 1 -11.805 -4.277 9.758 10 2HE MET 1 2HE MET 1 -10.127 -3.805 10.017 11 3HE MET 1 3HE MET 1 -11.239 -3.863 11.382 12 H LYS 2 H LYS 2 -4.626 -8.419 9.964 13 HA LYS 2 HA LYS 2 -5.367 -8.503 7.090 14 1HB LYS 2 2HB LYS 2 -3.116 -9.745 6.978 15 2HB LYS 2 1HB LYS 2 -3.065 -8.037 7.394 16 1HG LYS 2 2HG LYS 2 -3.379 -9.905 9.679 17 2HG LYS 2 1HG LYS 2 -1.816 -9.940 8.863 18 1HD LYS 2 2HD LYS 2 -1.287 -7.787 9.480 19 2HD LYS 2 1HD LYS 2 -2.971 -7.260 9.474 20 1HE LYS 2 2HE LYS 2 -3.384 -8.127 11.624 21 2HE LYS 2 1HE LYS 2 -1.994 -9.230 11.545 22 1HZ LYS 2 1HZ LYS 2 -1.486 -6.369 11.217 23 2HZ LYS 2 2HZ LYS 2 -0.517 -7.564 11.937 24 3HZ LYS 2 3HZ LYS 2 -1.840 -6.916 12.782 25 H THR 3 H THR 3 -6.967 -9.796 9.100 26 HA THR 3 HA THR 3 -6.834 -12.481 9.639 27 HB THR 3 HB THR 3 -8.817 -10.963 9.835 28 HG1 THR 3 1HG THR 3 -9.175 -13.455 8.562 29 1HG2 THR 3 1HG2 THR 3 -9.209 -11.642 6.919 30 2HG2 THR 3 2HG2 THR 3 -8.669 -10.073 7.518 31 3HG2 THR 3 3HG2 THR 3 -10.285 -10.660 7.916 32 H ALA 4 H ALA 4 -7.188 -10.921 6.564 33 HA ALA 4 HA ALA 4 -7.623 -13.052 4.755 34 1HB ALA 4 1HB ALA 4 -6.679 -10.301 4.896 35 2HB ALA 4 2HB ALA 4 -7.551 -11.103 3.588 36 3HB ALA 4 3HB ALA 4 -5.790 -11.209 3.670 37 H TYR 5 H TYR 5 -6.339 -14.668 6.141 38 HA TYR 5 HA TYR 5 -4.337 -15.762 6.806 39 1HB TYR 5 2HB TYR 5 -2.985 -16.365 4.672 40 2HB TYR 5 1HB TYR 5 -4.654 -16.903 4.767 41 HD1 TYR 5 1HD TYR 5 -6.386 -15.005 3.844 42 HD2 TYR 5 2HD TYR 5 -2.292 -15.496 2.652 43 HE1 TYR 5 1HE TYR 5 -6.864 -13.847 1.722 44 HE2 TYR 5 2HE TYR 5 -2.780 -14.337 0.512 45 HH TYR 5 HH TYR 5 -4.367 -12.852 -0.450 46 H ASP 6 H ASP 6 -4.336 -12.999 7.168 47 HA ASP 6 HA ASP 6 -2.903 -11.287 7.795 48 1HB ASP 6 2HB ASP 6 -1.705 -12.850 8.984 49 2HB ASP 6 1HB ASP 6 -1.135 -13.680 7.535 50 H VAL 7 H VAL 7 -3.727 -10.705 5.423 51 HA VAL 7 HA VAL 7 -1.289 -10.005 3.828 52 HB VAL 7 HB VAL 7 -3.989 -10.722 2.665 53 1HG1 VAL 7 1HG1 VAL 7 -1.291 -10.855 1.351 54 2HG1 VAL 7 2HG1 VAL 7 -2.188 -9.336 1.430 55 3HG1 VAL 7 3HG1 VAL 7 -2.883 -10.732 0.598 56 1HG2 VAL 7 1HG2 VAL 7 -1.938 -12.703 2.245 57 2HG2 VAL 7 2HG2 VAL 7 -3.580 -12.885 2.870 58 3HG2 VAL 7 3HG2 VAL 7 -2.261 -12.482 3.967 59 H ILE 8 H ILE 8 -4.719 -9.303 3.246 60 HA ILE 8 HA ILE 8 -4.124 -6.448 3.001 61 HB ILE 8 HB ILE 8 -6.723 -8.005 2.716 62 1HG1 ILE 8 2HG1 ILE 8 -4.767 -8.963 1.408 63 2HG1 ILE 8 1HG1 ILE 8 -6.124 -8.415 0.424 64 1HG2 ILE 8 1HG2 ILE 8 -7.535 -5.978 2.093 65 2HG2 ILE 8 2HG2 ILE 8 -6.339 -5.914 0.793 66 3HG2 ILE 8 3HG2 ILE 8 -5.955 -5.248 2.379 67 1HD1 ILE 8 1HD1 ILE 8 -4.030 -6.396 1.032 68 2HD1 ILE 8 2HD1 ILE 8 -4.961 -6.646 -0.446 69 3HD1 ILE 8 3HD1 ILE 8 -3.582 -7.686 -0.084 70 H LEU 9 H LEU 9 -3.892 -5.516 5.022 71 HA LEU 9 HA LEU 9 -5.309 -6.225 7.393 72 1HB LEU 9 2HB LEU 9 -3.915 -3.715 6.427 73 2HB LEU 9 1HB LEU 9 -4.498 -3.908 8.080 74 HG LEU 9 HG LEU 9 -3.138 -6.232 7.796 75 1HD1 LEU 9 1HD1 LEU 9 -2.195 -5.959 5.668 76 2HD1 LEU 9 2HD1 LEU 9 -0.907 -5.380 6.725 77 3HD1 LEU 9 3HD1 LEU 9 -1.952 -4.227 5.893 78 1HD2 LEU 9 1HD2 LEU 9 -2.092 -3.502 8.598 79 2HD2 LEU 9 2HD2 LEU 9 -1.230 -5.006 8.923 80 3HD2 LEU 9 3HD2 LEU 9 -2.811 -4.722 9.651 81 H ALA 10 H ALA 10 -5.779 -2.886 6.893 82 HA ALA 10 HA ALA 10 -8.724 -3.330 6.606 83 1HB ALA 10 1HB ALA 10 -8.914 -1.756 8.235 84 2HB ALA 10 2HB ALA 10 -7.743 -0.694 7.453 85 3HB ALA 10 3HB ALA 10 -7.187 -2.004 8.494 86 HA PRO 11 HA PRO 11 -8.765 -1.100 2.824 87 1HB PRO 11 2HB PRO 11 -11.084 0.339 3.039 88 2HB PRO 11 1HB PRO 11 -11.059 -1.416 2.775 89 1HG PRO 11 2HG PRO 11 -11.523 0.114 5.283 90 2HG PRO 11 1HG PRO 11 -12.290 -1.375 4.710 91 1HD PRO 11 2HD PRO 11 -10.321 -1.314 6.604 92 2HD PRO 11 1HD PRO 11 -10.625 -2.704 5.539 93 H VAL 12 H VAL 12 -8.345 1.022 1.935 94 HA VAL 12 HA VAL 12 -7.689 3.093 4.002 95 HB VAL 12 HB VAL 12 -5.700 2.366 2.948 96 1HG1 VAL 12 1HG1 VAL 12 -5.834 2.498 0.248 97 2HG1 VAL 12 2HG1 VAL 12 -7.497 2.035 0.608 98 3HG1 VAL 12 3HG1 VAL 12 -6.161 1.022 1.157 99 1HG2 VAL 12 1HG2 VAL 12 -5.083 4.247 1.386 100 2HG2 VAL 12 2HG2 VAL 12 -5.789 4.784 2.911 101 3HG2 VAL 12 3HG2 VAL 12 -6.765 4.772 1.442 102 H LEU 13 H LEU 13 -9.220 4.688 3.984 103 HA LEU 13 HA LEU 13 -10.627 5.320 1.433 104 1HB LEU 13 2HB LEU 13 -11.142 6.019 4.342 105 2HB LEU 13 1HB LEU 13 -12.196 6.470 3.002 106 HG LEU 13 HG LEU 13 -13.149 4.478 3.882 107 1HD1 LEU 13 1HD1 LEU 13 -11.376 3.392 1.694 108 2HD1 LEU 13 2HD1 LEU 13 -12.648 4.566 1.348 109 3HD1 LEU 13 3HD1 LEU 13 -13.059 2.995 2.039 110 1HD2 LEU 13 1HD2 LEU 13 -11.971 2.786 4.875 111 2HD2 LEU 13 2HD2 LEU 13 -10.689 3.994 4.941 112 3HD2 LEU 13 3HD2 LEU 13 -10.712 2.806 3.640 113 H SER 14 H SER 14 -9.615 6.924 0.293 114 HA SER 14 HA SER 14 -9.064 9.500 1.616 115 1HB SER 14 2HB SER 14 -6.678 9.031 0.267 116 2HB SER 14 1HB SER 14 -6.906 8.919 2.009 117 HG SER 14 HG SER 14 -7.028 6.780 1.869 118 H GLU 15 H GLU 15 -8.757 11.206 0.027 119 HA GLU 15 HA GLU 15 -10.301 11.208 -2.262 120 1HB GLU 15 2HB GLU 15 -8.019 12.693 -1.175 121 2HB GLU 15 1HB GLU 15 -8.108 12.781 -2.934 122 1HG GLU 15 2HG GLU 15 -10.601 13.190 -1.311 123 2HG GLU 15 1HG GLU 15 -9.449 14.515 -1.480 124 H LYS 16 H LYS 16 -6.755 10.651 -2.314 125 HA LYS 16 HA LYS 16 -6.507 9.910 -5.009 126 1HB LYS 16 2HB LYS 16 -4.616 10.368 -3.574 127 2HB LYS 16 1HB LYS 16 -5.046 9.033 -2.504 128 1HG LYS 16 2HG LYS 16 -4.814 7.565 -4.655 129 2HG LYS 16 1HG LYS 16 -3.887 8.929 -5.279 130 1HD LYS 16 2HD LYS 16 -3.303 7.268 -2.818 131 2HD LYS 16 1HD LYS 16 -2.297 7.461 -4.255 132 1HE LYS 16 2HE LYS 16 -1.825 9.769 -3.710 133 2HE LYS 16 1HE LYS 16 -3.017 9.752 -2.395 134 1HZ LYS 16 1HZ LYS 16 -1.739 8.344 -1.124 135 2HZ LYS 16 2HZ LYS 16 -0.533 9.285 -1.863 136 3HZ LYS 16 3HZ LYS 16 -0.881 7.729 -2.452 137 H ALA 17 H ALA 17 -7.955 8.162 -2.387 138 HA ALA 17 HA ALA 17 -7.825 5.583 -3.873 139 1HB ALA 17 1HB ALA 17 -8.360 6.507 -1.073 140 2HB ALA 17 2HB ALA 17 -7.297 5.217 -1.638 141 3HB ALA 17 3HB ALA 17 -9.041 4.962 -1.586 142 H TYR 18 H TYR 18 -10.286 7.582 -2.182 143 HA TYR 18 HA TYR 18 -12.588 6.253 -3.111 144 1HB TYR 18 2HB TYR 18 -11.865 9.018 -2.227 145 2HB TYR 18 1HB TYR 18 -13.468 8.768 -2.923 146 HD1 TYR 18 1HD TYR 18 -12.208 9.210 0.093 147 HD2 TYR 18 2HD TYR 18 -14.107 6.039 -2.087 148 HE1 TYR 18 1HE TYR 18 -12.972 8.203 2.230 149 HE2 TYR 18 2HE TYR 18 -14.872 5.023 0.050 150 HH TYR 18 HH TYR 18 -15.207 5.506 2.294 151 H ALA 19 H ALA 19 -10.949 9.071 -4.600 152 HA ALA 19 HA ALA 19 -12.620 9.165 -6.918 153 1HB ALA 19 1HB ALA 19 -10.179 10.364 -5.863 154 2HB ALA 19 2HB ALA 19 -11.386 11.074 -6.936 155 3HB ALA 19 3HB ALA 19 -10.067 10.116 -7.605 156 H GLY 20 H GLY 20 -10.267 6.936 -5.910 157 1HA GLY 20 2HA GLY 20 -9.637 5.992 -8.650 158 2HA GLY 20 1HA GLY 20 -8.886 5.406 -7.158 159 H PHE 21 H PHE 21 -11.209 5.072 -5.624 160 HA PHE 21 HA PHE 21 -12.084 2.455 -6.211 161 1HB PHE 21 2HB PHE 21 -13.236 4.839 -4.753 162 2HB PHE 21 1HB PHE 21 -14.132 3.327 -4.833 163 HD1 PHE 21 1HD PHE 21 -14.030 2.766 -2.499 164 HD2 PHE 21 2HD PHE 21 -10.427 3.554 -4.701 165 HE1 PHE 21 1HE PHE 21 -12.684 1.884 -0.617 166 HE2 PHE 21 2HE PHE 21 -9.084 2.673 -2.820 167 HZ PHE 21 HZ PHE 21 -10.209 1.835 -0.775 168 H ALA 22 H ALA 22 -12.976 5.542 -7.499 169 HA ALA 22 HA ALA 22 -15.486 5.313 -8.543 170 1HB ALA 22 1HB ALA 22 -13.261 6.210 -10.334 171 2HB ALA 22 2HB ALA 22 -13.495 7.040 -8.797 172 3HB ALA 22 3HB ALA 22 -14.796 7.004 -9.987 173 H GLU 23 H GLU 23 -12.554 3.729 -9.744 174 HA GLU 23 HA GLU 23 -14.056 2.447 -11.960 175 1HB GLU 23 2HB GLU 23 -11.655 3.556 -11.921 176 2HB GLU 23 1HB GLU 23 -11.166 1.981 -11.301 177 1HG GLU 23 2HG GLU 23 -11.481 0.960 -13.305 178 2HG GLU 23 1HG GLU 23 -12.975 1.843 -13.621 179 H GLY 24 H GLY 24 -14.100 1.775 -8.871 180 1HA GLY 24 2HA GLY 24 -14.662 -0.236 -7.783 181 2HA GLY 24 1HA GLY 24 -14.296 -1.088 -9.276 182 H LYS 25 H LYS 25 -11.765 0.980 -8.562 183 HA LYS 25 HA LYS 25 -10.015 -1.257 -7.817 184 1HB LYS 25 2HB LYS 25 -9.683 1.719 -8.300 185 2HB LYS 25 1HB LYS 25 -8.328 0.670 -7.885 186 1HG LYS 25 2HG LYS 25 -8.945 -0.779 -9.849 187 2HG LYS 25 1HG LYS 25 -10.135 0.439 -10.305 188 1HD LYS 25 2HD LYS 25 -7.995 2.041 -10.017 189 2HD LYS 25 1HD LYS 25 -7.162 0.547 -10.449 190 1HE LYS 25 2HE LYS 25 -8.517 0.341 -12.488 191 2HE LYS 25 1HE LYS 25 -9.425 1.802 -12.048 192 1HZ LYS 25 1HZ LYS 25 -7.671 3.144 -12.474 193 2HZ LYS 25 2HZ LYS 25 -7.229 1.887 -13.528 194 3HZ LYS 25 3HZ LYS 25 -6.519 1.998 -11.988 195 H TYR 26 H TYR 26 -9.374 -1.722 -5.700 196 HA TYR 26 HA TYR 26 -10.034 0.341 -3.628 197 1HB TYR 26 2HB TYR 26 -10.283 -2.677 -3.485 198 2HB TYR 26 1HB TYR 26 -10.712 -1.551 -2.197 199 HD1 TYR 26 1HD TYR 26 -11.918 -3.314 -5.031 200 HD2 TYR 26 2HD TYR 26 -12.390 0.364 -2.867 201 HE1 TYR 26 1HE TYR 26 -14.159 -3.003 -6.047 202 HE2 TYR 26 2HE TYR 26 -14.632 0.675 -3.880 203 HH TYR 26 HH TYR 26 -16.380 -0.648 -4.910 204 H THR 27 H THR 27 -8.152 1.084 -2.877 205 HA THR 27 HA THR 27 -5.662 -0.383 -2.812 206 HB THR 27 HB THR 27 -6.522 2.208 -1.485 207 HG1 THR 27 1HG THR 27 -5.409 2.983 -3.504 208 1HG2 THR 27 1HG2 THR 27 -4.042 2.715 -1.916 209 2HG2 THR 27 2HG2 THR 27 -3.856 0.981 -2.185 210 3HG2 THR 27 3HG2 THR 27 -4.408 1.577 -0.619 211 H PHE 28 H PHE 28 -4.755 -1.372 -0.989 212 HA PHE 28 HA PHE 28 -6.245 -1.215 1.590 213 1HB PHE 28 2HB PHE 28 -6.172 -3.385 -0.311 214 2HB PHE 28 1HB PHE 28 -5.417 -3.897 1.201 215 HD1 PHE 28 1HD PHE 28 -6.655 -3.775 3.335 216 HD2 PHE 28 2HD PHE 28 -8.521 -2.855 -0.424 217 HE1 PHE 28 1HE PHE 28 -8.892 -3.927 4.407 218 HE2 PHE 28 2HE PHE 28 -10.756 -3.009 0.646 219 HZ PHE 28 HZ PHE 28 -10.940 -3.545 3.062 220 H TRP 29 H TRP 29 -4.903 -2.149 3.397 221 HA TRP 29 HA TRP 29 -2.043 -1.465 2.999 222 1HB TRP 29 2HB TRP 29 -3.918 -1.890 5.335 223 2HB TRP 29 1HB TRP 29 -2.173 -1.827 5.582 224 HD1 TRP 29 HD TRP 29 -5.166 0.335 5.045 225 HE1 TRP 29 1HE TRP 29 -4.456 2.810 4.922 226 HE3 TRP 29 3HE TRP 29 -0.101 -0.217 4.687 227 HZ2 TRP 29 2HZ TRP 29 -2.054 4.352 4.702 228 HZ3 TRP 29 3HZ TRP 29 1.375 1.770 4.521 229 HH2 TRP 29 HH TRP 29 0.403 4.052 4.529 230 H VAL 30 H VAL 30 -0.665 -3.173 2.580 231 HA VAL 30 HA VAL 30 -1.406 -5.816 3.719 232 HB VAL 30 HB VAL 30 -2.103 -5.459 1.363 233 1HG1 VAL 30 1HG1 VAL 30 -0.690 -4.435 -0.062 234 2HG1 VAL 30 2HG1 VAL 30 0.404 -5.811 0.081 235 3HG1 VAL 30 3HG1 VAL 30 0.567 -4.437 1.174 236 1HG2 VAL 30 1HG2 VAL 30 0.013 -7.496 1.926 237 2HG2 VAL 30 2HG2 VAL 30 -1.038 -7.528 0.510 238 3HG2 VAL 30 3HG2 VAL 30 -1.729 -7.664 2.122 239 H HIS 31 H HIS 31 0.389 -7.328 3.695 240 HA HIS 31 HA HIS 31 2.802 -6.215 4.810 241 1HB HIS 31 2HB HIS 31 1.523 -8.777 4.339 242 2HB HIS 31 1HB HIS 31 3.251 -8.875 3.998 243 HD1 HIS 31 1HD HIS 31 1.158 -7.185 6.720 244 HD2 HIS 31 2HD HIS 31 4.593 -9.512 6.313 245 HE1 HIS 31 1HE HIS 31 2.075 -7.523 9.057 246 HA PRO 32 HA PRO 32 5.151 -5.537 1.156 247 1HB PRO 32 2HB PRO 32 7.661 -5.784 2.214 248 2HB PRO 32 1HB PRO 32 6.620 -4.381 2.510 249 1HG PRO 32 2HG PRO 32 7.169 -6.720 4.258 250 2HG PRO 32 1HG PRO 32 6.976 -5.013 4.686 251 1HD PRO 32 2HD PRO 32 5.015 -6.883 5.019 252 2HD PRO 32 1HD PRO 32 4.692 -5.156 4.758 253 H LYS 33 H LYS 33 4.186 -7.864 0.665 254 HA LYS 33 HA LYS 33 6.267 -9.497 -0.448 255 1HB LYS 33 2HB LYS 33 5.818 -11.426 1.231 256 2HB LYS 33 1HB LYS 33 6.836 -10.095 1.780 257 1HG LYS 33 2HG LYS 33 5.396 -9.692 3.464 258 2HG LYS 33 1HG LYS 33 4.120 -9.374 2.298 259 1HD LYS 33 2HD LYS 33 3.180 -11.431 2.571 260 2HD LYS 33 1HD LYS 33 4.746 -12.235 2.694 261 1HE LYS 33 2HE LYS 33 4.940 -11.779 5.000 262 2HE LYS 33 1HE LYS 33 3.744 -10.470 4.933 263 1HZ LYS 33 1HZ LYS 33 3.021 -12.809 5.760 264 2HZ LYS 33 2HZ LYS 33 2.978 -13.188 4.104 265 3HZ LYS 33 3HZ LYS 33 2.003 -11.939 4.719 266 H ALA 34 H ALA 34 2.980 -9.282 0.829 267 HA ALA 34 HA ALA 34 1.728 -11.500 -0.298 268 1HB ALA 34 1HB ALA 34 0.680 -8.654 -0.276 269 2HB ALA 34 2HB ALA 34 0.776 -9.672 1.161 270 3HB ALA 34 3HB ALA 34 -0.275 -10.134 -0.178 271 H THR 35 H THR 35 2.390 -12.134 -2.380 272 HA THR 35 HA THR 35 3.039 -10.555 -4.593 273 HB THR 35 HB THR 35 1.750 -12.697 -5.703 274 HG1 THR 35 1HG THR 35 2.378 -14.306 -3.915 275 1HG2 THR 35 1HG2 THR 35 4.424 -12.515 -4.307 276 2HG2 THR 35 2HG2 THR 35 4.084 -12.332 -6.029 277 3HG2 THR 35 3HG2 THR 35 3.950 -13.918 -5.267 278 H LYS 36 H LYS 36 1.849 -9.455 -6.162 279 HA LYS 36 HA LYS 36 -0.578 -8.223 -5.675 280 1HB LYS 36 2HB LYS 36 1.236 -8.484 -7.759 281 2HB LYS 36 1HB LYS 36 -0.262 -9.092 -8.464 282 1HG LYS 36 2HG LYS 36 -1.038 -6.995 -8.672 283 2HG LYS 36 1HG LYS 36 -0.863 -6.740 -6.935 284 1HD LYS 36 2HD LYS 36 1.191 -5.715 -7.153 285 2HD LYS 36 1HD LYS 36 1.618 -6.643 -8.589 286 1HE LYS 36 2HE LYS 36 -0.583 -5.164 -9.434 287 2HE LYS 36 1HE LYS 36 0.317 -4.024 -8.413 288 1HZ LYS 36 1HZ LYS 36 1.111 -4.170 -10.771 289 2HZ LYS 36 2HZ LYS 36 1.609 -5.761 -10.443 290 3HZ LYS 36 3HZ LYS 36 2.303 -4.460 -9.600 291 H THR 37 H THR 37 -0.080 -11.479 -7.008 292 HA THR 37 HA THR 37 -2.878 -11.971 -7.596 293 HB THR 37 HB THR 37 -0.806 -14.040 -7.084 294 HG1 THR 37 1HG THR 37 0.420 -13.175 -8.526 295 1HG2 THR 37 1HG2 THR 37 -2.985 -13.710 -9.146 296 2HG2 THR 37 2HG2 THR 37 -3.033 -14.778 -7.743 297 3HG2 THR 37 3HG2 THR 37 -1.888 -15.088 -9.048 298 H GLU 38 H GLU 38 -0.689 -13.094 -5.000 299 HA GLU 38 HA GLU 38 -2.529 -14.651 -3.531 300 1HB GLU 38 2HB GLU 38 -0.047 -13.078 -2.992 301 2HB GLU 38 1HB GLU 38 -0.961 -13.649 -1.595 302 1HG GLU 38 2HG GLU 38 -0.636 -15.681 -3.694 303 2HG GLU 38 1HG GLU 38 0.889 -15.148 -2.984 304 H ILE 39 H ILE 39 -1.902 -11.145 -3.352 305 HA ILE 39 HA ILE 39 -3.602 -10.500 -1.174 306 HB ILE 39 HB ILE 39 -2.632 -9.122 -3.675 307 1HG1 ILE 39 2HG1 ILE 39 -2.126 -8.641 -0.721 308 2HG1 ILE 39 1HG1 ILE 39 -1.082 -9.592 -1.778 309 1HG2 ILE 39 1HG2 ILE 39 -3.535 -7.063 -2.116 310 2HG2 ILE 39 2HG2 ILE 39 -4.804 -8.265 -1.871 311 3HG2 ILE 39 3HG2 ILE 39 -4.409 -7.717 -3.499 312 1HD1 ILE 39 1HD1 ILE 39 -0.698 -6.956 -1.346 313 2HD1 ILE 39 2HD1 ILE 39 -1.790 -6.867 -2.729 314 3HD1 ILE 39 3HD1 ILE 39 -0.267 -7.748 -2.863 315 H LYS 40 H LYS 40 -4.318 -11.179 -4.555 316 HA LYS 40 HA LYS 40 -6.964 -10.155 -4.750 317 1HB LYS 40 2HB LYS 40 -5.401 -11.039 -6.537 318 2HB LYS 40 1HB LYS 40 -5.815 -12.664 -5.999 319 1HG LYS 40 2HG LYS 40 -7.910 -12.579 -6.897 320 2HG LYS 40 1HG LYS 40 -8.110 -10.867 -6.527 321 1HD LYS 40 2HD LYS 40 -6.995 -10.180 -8.463 322 2HD LYS 40 1HD LYS 40 -6.136 -11.712 -8.629 323 1HE LYS 40 2HE LYS 40 -8.845 -12.423 -8.768 324 2HE LYS 40 1HE LYS 40 -8.713 -10.943 -9.740 325 1HZ LYS 40 1HZ LYS 40 -7.026 -13.379 -9.957 326 2HZ LYS 40 2HZ LYS 40 -6.697 -11.920 -10.764 327 3HZ LYS 40 3HZ LYS 40 -8.115 -12.788 -11.117 328 H ASN 41 H ASN 41 -5.810 -13.370 -3.755 329 HA ASN 41 HA ASN 41 -8.303 -14.663 -3.452 330 1HB ASN 41 2HB ASN 41 -5.565 -14.914 -2.239 331 2HB ASN 41 1HB ASN 41 -6.867 -15.970 -1.689 332 1HD2 ASN 41 1HD2 ASN 41 -4.988 -15.035 -4.580 333 2HD2 ASN 41 2HD2 ASN 41 -5.359 -16.430 -5.472 334 H ALA 42 H ALA 42 -6.606 -12.515 -1.153 335 HA ALA 42 HA ALA 42 -8.356 -13.151 1.064 336 1HB ALA 42 1HB ALA 42 -6.698 -12.050 2.108 337 2HB ALA 42 2HB ALA 42 -7.165 -10.552 1.296 338 3HB ALA 42 3HB ALA 42 -6.003 -11.641 0.538 339 H VAL 43 H VAL 43 -8.261 -10.266 -1.110 340 HA VAL 43 HA VAL 43 -10.585 -9.073 0.088 341 HB VAL 43 HB VAL 43 -10.574 -7.729 -2.029 342 1HG1 VAL 43 1HG1 VAL 43 -7.760 -8.079 -1.014 343 2HG1 VAL 43 2HG1 VAL 43 -9.031 -7.418 0.018 344 3HG1 VAL 43 3HG1 VAL 43 -8.590 -6.592 -1.477 345 1HG2 VAL 43 1HG2 VAL 43 -9.768 -8.728 -3.866 346 2HG2 VAL 43 2HG2 VAL 43 -9.061 -10.036 -2.916 347 3HG2 VAL 43 3HG2 VAL 43 -8.154 -8.546 -3.176 348 H GLU 44 H GLU 44 -10.190 -11.452 -2.501 349 HA GLU 44 HA GLU 44 -12.826 -11.302 -3.605 350 1HB GLU 44 2HB GLU 44 -10.446 -12.840 -3.839 351 2HB GLU 44 1HB GLU 44 -11.766 -13.982 -3.588 352 1HG GLU 44 2HG GLU 44 -12.130 -11.731 -5.539 353 2HG GLU 44 1HG GLU 44 -11.203 -13.150 -6.024 354 H THR 45 H THR 45 -11.497 -13.547 -1.142 355 HA THR 45 HA THR 45 -14.146 -14.573 -0.477 356 HB THR 45 HB THR 45 -11.338 -14.941 0.430 357 HG1 THR 45 1HG THR 45 -12.283 -17.194 -0.035 358 1HG2 THR 45 1HG2 THR 45 -13.833 -15.754 1.878 359 2HG2 THR 45 2HG2 THR 45 -12.322 -15.129 2.541 360 3HG2 THR 45 3HG2 THR 45 -12.404 -16.788 1.948 361 H ALA 46 H ALA 46 -12.033 -12.046 0.687 362 HA ALA 46 HA ALA 46 -13.406 -11.769 3.274 363 1HB ALA 46 1HB ALA 46 -10.980 -11.351 2.911 364 2HB ALA 46 2HB ALA 46 -11.804 -9.924 3.542 365 3HB ALA 46 3HB ALA 46 -11.390 -10.019 1.831 366 H PHE 47 H PHE 47 -12.993 -9.603 0.427 367 HA PHE 47 HA PHE 47 -15.037 -7.770 1.328 368 1HB PHE 47 2HB PHE 47 -13.778 -8.226 -1.393 369 2HB PHE 47 1HB PHE 47 -14.673 -6.788 -0.911 370 HD1 PHE 47 1HD PHE 47 -13.189 -7.683 2.042 371 HD2 PHE 47 2HD PHE 47 -12.085 -6.189 -1.833 372 HE1 PHE 47 1HE PHE 47 -11.116 -6.725 3.001 373 HE2 PHE 47 2HE PHE 47 -10.017 -5.228 -0.869 374 HZ PHE 47 HZ PHE 47 -9.529 -5.501 1.545 375 H LYS 48 H LYS 48 -15.129 -10.793 -0.303 376 HA LYS 48 HA LYS 48 -16.944 -12.068 -1.090 377 1HB LYS 48 2HB LYS 48 -18.649 -9.775 -0.094 378 2HB LYS 48 1HB LYS 48 -19.092 -11.476 -0.213 379 1HG LYS 48 2HG LYS 48 -16.828 -11.540 1.377 380 2HG LYS 48 1HG LYS 48 -17.651 -10.078 1.919 381 1HD LYS 48 2HD LYS 48 -18.648 -11.734 3.247 382 2HD LYS 48 1HD LYS 48 -19.791 -11.582 1.912 383 1HE LYS 48 2HE LYS 48 -17.701 -13.474 1.223 384 2HE LYS 48 1HE LYS 48 -18.500 -13.944 2.736 385 1HZ LYS 48 1HZ LYS 48 -19.690 -13.486 0.080 386 2HZ LYS 48 2HZ LYS 48 -20.630 -13.247 1.475 387 3HZ LYS 48 3HZ LYS 48 -19.947 -14.770 1.156 388 H VAL 49 H VAL 49 -15.632 -10.474 -2.963 389 HA VAL 49 HA VAL 49 -17.887 -9.744 -4.764 390 HB VAL 49 HB VAL 49 -16.291 -7.961 -3.429 391 1HG1 VAL 49 1HG1 VAL 49 -14.505 -7.194 -4.696 392 2HG1 VAL 49 2HG1 VAL 49 -15.152 -7.854 -6.196 393 3HG1 VAL 49 3HG1 VAL 49 -14.406 -8.925 -5.008 394 1HG2 VAL 49 1HG2 VAL 49 -17.200 -6.328 -4.919 395 2HG2 VAL 49 2HG2 VAL 49 -18.387 -7.621 -4.752 396 3HG2 VAL 49 3HG2 VAL 49 -17.384 -7.526 -6.199 397 H LYS 50 H LYS 50 -16.368 -9.042 -6.946 398 HA LYS 50 HA LYS 50 -14.863 -11.561 -7.575 399 1HB LYS 50 2HB LYS 50 -17.133 -10.813 -8.718 400 2HB LYS 50 1HB LYS 50 -16.077 -9.729 -9.628 401 1HG LYS 50 2HG LYS 50 -15.151 -12.538 -9.390 402 2HG LYS 50 1HG LYS 50 -16.579 -12.278 -10.396 403 1HD LYS 50 2HD LYS 50 -14.869 -10.203 -11.123 404 2HD LYS 50 1HD LYS 50 -13.792 -11.585 -10.925 405 1HE LYS 50 2HE LYS 50 -15.234 -12.928 -12.428 406 2HE LYS 50 1HE LYS 50 -16.299 -11.524 -12.645 407 1HZ LYS 50 1HZ LYS 50 -14.865 -11.106 -14.335 408 2HZ LYS 50 2HZ LYS 50 -13.583 -11.960 -13.620 409 3HZ LYS 50 3HZ LYS 50 -13.960 -10.390 -13.094 410 H VAL 51 H VAL 51 -12.716 -10.933 -7.277 411 HA VAL 51 HA VAL 51 -11.805 -8.230 -7.875 412 HB VAL 51 HB VAL 51 -10.338 -10.825 -7.304 413 1HG1 VAL 51 1HG1 VAL 51 -9.490 -7.949 -7.521 414 2HG1 VAL 51 2HG1 VAL 51 -8.678 -9.395 -8.122 415 3HG1 VAL 51 3HG1 VAL 51 -8.652 -9.021 -6.398 416 1HG2 VAL 51 1HG2 VAL 51 -12.072 -9.863 -5.615 417 2HG2 VAL 51 2HG2 VAL 51 -10.883 -8.586 -5.359 418 3HG2 VAL 51 3HG2 VAL 51 -10.462 -10.263 -5.016 419 H VAL 52 H VAL 52 -11.427 -7.541 -9.920 420 HA VAL 52 HA VAL 52 -10.876 -9.521 -12.066 421 HB VAL 52 HB VAL 52 -12.637 -7.828 -12.363 422 1HG1 VAL 52 1HG1 VAL 52 -11.880 -5.417 -12.591 423 2HG1 VAL 52 2HG1 VAL 52 -10.372 -5.907 -11.816 424 3HG1 VAL 52 3HG1 VAL 52 -11.899 -6.058 -10.957 425 1HG2 VAL 52 1HG2 VAL 52 -10.842 -6.568 -14.206 426 2HG2 VAL 52 2HG2 VAL 52 -12.086 -7.781 -14.533 427 3HG2 VAL 52 3HG2 VAL 52 -10.449 -8.283 -14.097 428 H LYS 53 H LYS 53 -9.306 -7.126 -10.109 429 HA LYS 53 HA LYS 53 -6.699 -7.835 -11.180 430 1HB LYS 53 2HB LYS 53 -6.397 -6.119 -12.664 431 2HB LYS 53 1HB LYS 53 -8.153 -6.047 -12.665 432 1HG LYS 53 2HG LYS 53 -7.790 -3.863 -12.145 433 2HG LYS 53 1HG LYS 53 -7.629 -4.497 -10.513 434 1HD LYS 53 2HD LYS 53 -5.407 -4.063 -10.436 435 2HD LYS 53 1HD LYS 53 -5.150 -4.689 -12.065 436 1HE LYS 53 2HE LYS 53 -6.659 -2.166 -12.041 437 2HE LYS 53 1HE LYS 53 -5.019 -2.014 -11.380 438 1HZ LYS 53 1HZ LYS 53 -4.887 -1.808 -13.748 439 2HZ LYS 53 2HZ LYS 53 -5.789 -3.229 -13.980 440 3HZ LYS 53 3HZ LYS 53 -4.227 -3.309 -13.319 441 H VAL 54 H VAL 54 -5.047 -7.128 -9.759 442 HA VAL 54 HA VAL 54 -5.909 -5.390 -7.487 443 HB VAL 54 HB VAL 54 -5.189 -8.203 -7.527 444 1HG1 VAL 54 1HG1 VAL 54 -2.913 -7.522 -7.008 445 2HG1 VAL 54 2HG1 VAL 54 -3.664 -8.114 -5.527 446 3HG1 VAL 54 3HG1 VAL 54 -3.492 -6.379 -5.795 447 1HG2 VAL 54 1HG2 VAL 54 -6.277 -8.193 -5.437 448 2HG2 VAL 54 2HG2 VAL 54 -7.053 -6.873 -6.313 449 3HG2 VAL 54 3HG2 VAL 54 -5.814 -6.522 -5.106 450 H ASN 55 H ASN 55 -4.582 -3.603 -7.553 451 HA ASN 55 HA ASN 55 -1.758 -4.030 -8.442 452 1HB ASN 55 2HB ASN 55 -3.793 -2.298 -9.335 453 2HB ASN 55 1HB ASN 55 -2.683 -1.276 -8.422 454 1HD2 ASN 55 1HD2 ASN 55 -2.618 -0.666 -11.033 455 2HD2 ASN 55 2HD2 ASN 55 -1.281 -1.347 -11.827 456 H THR 56 H THR 56 -0.423 -4.061 -6.712 457 HA THR 56 HA THR 56 -1.140 -2.354 -4.371 458 HB THR 56 HB THR 56 -0.647 -4.184 -3.123 459 HG1 THR 56 1HG THR 56 1.728 -4.462 -4.638 460 1HG2 THR 56 1HG2 THR 56 -1.624 -5.397 -5.058 461 2HG2 THR 56 2HG2 THR 56 -0.413 -6.356 -4.209 462 3HG2 THR 56 3HG2 THR 56 -0.004 -5.579 -5.735 463 H LEU 57 H LEU 57 0.366 -0.879 -3.597 464 HA LEU 57 HA LEU 57 3.022 -0.748 -4.977 465 1HB LEU 57 2HB LEU 57 2.573 1.791 -4.942 466 2HB LEU 57 1HB LEU 57 1.638 0.842 -6.099 467 HG LEU 57 HG LEU 57 0.428 1.082 -3.411 468 1HD1 LEU 57 1HD1 LEU 57 -0.288 3.448 -4.860 469 2HD1 LEU 57 2HD1 LEU 57 1.465 3.415 -4.678 470 3HD1 LEU 57 3HD1 LEU 57 0.429 3.325 -3.254 471 1HD2 LEU 57 1HD2 LEU 57 -0.432 0.159 -5.772 472 2HD2 LEU 57 2HD2 LEU 57 -0.903 1.846 -5.975 473 3HD2 LEU 57 3HD2 LEU 57 -1.535 0.912 -4.620 474 H HIS 58 H HIS 58 4.704 0.102 -3.643 475 HA HIS 58 HA HIS 58 4.391 -0.250 -0.793 476 1HB HIS 58 2HB HIS 58 6.458 0.396 -2.776 477 2HB HIS 58 1HB HIS 58 6.723 1.189 -1.222 478 HD1 HIS 58 1HD HIS 58 8.189 -1.459 -2.576 479 HD2 HIS 58 2HD HIS 58 5.607 -1.320 0.695 480 HE1 HIS 58 1HE HIS 58 8.646 -3.545 -1.213 481 H VAL 59 H VAL 59 3.640 1.185 0.657 482 HA VAL 59 HA VAL 59 3.587 4.087 -0.095 483 HB VAL 59 HB VAL 59 1.583 3.971 1.588 484 1HG1 VAL 59 1HG1 VAL 59 0.260 2.803 -0.467 485 2HG1 VAL 59 2HG1 VAL 59 1.783 3.198 -1.264 486 3HG1 VAL 59 3HG1 VAL 59 0.827 4.473 -0.506 487 1HG2 VAL 59 1HG2 VAL 59 0.512 1.832 1.792 488 2HG2 VAL 59 2HG2 VAL 59 2.197 1.594 2.253 489 3HG2 VAL 59 3HG2 VAL 59 1.640 1.093 0.657 490 H ARG 60 H ARG 60 4.453 5.506 1.411 491 HA ARG 60 HA ARG 60 5.644 4.289 3.870 492 1HB ARG 60 2HB ARG 60 6.223 6.992 2.642 493 2HB ARG 60 1HB ARG 60 7.266 6.028 3.687 494 1HG ARG 60 2HG ARG 60 6.511 5.471 0.810 495 2HG ARG 60 1HG ARG 60 8.122 5.762 1.466 496 1HD ARG 60 2HD ARG 60 8.160 3.648 2.586 497 2HD ARG 60 1HD ARG 60 6.420 3.403 2.333 498 HE ARG 60 HE ARG 60 6.856 3.050 -0.034 499 1HH1 ARG 60 1HH1 ARG 60 9.439 4.856 0.318 500 2HH1 ARG 60 2HH1 ARG 60 10.641 3.700 -0.149 501 1HH2 ARG 60 1HH2 ARG 60 8.490 0.988 0.053 502 2HH2 ARG 60 2HH2 ARG 60 10.103 1.509 -0.298 503 H GLY 61 H GLY 61 4.223 4.539 5.574 504 1HA GLY 61 2HA GLY 61 3.727 6.912 6.886 505 2HA GLY 61 1HA GLY 61 2.394 6.805 5.737 506 H LYS 62 H LYS 62 1.485 6.759 8.194 507 HA LYS 62 HA LYS 62 0.294 4.150 8.525 508 1HB LYS 62 2HB LYS 62 2.881 4.295 9.415 509 2HB LYS 62 1HB LYS 62 1.993 4.717 10.879 510 1HG LYS 62 2HG LYS 62 0.623 2.540 9.659 511 2HG LYS 62 1HG LYS 62 2.338 2.128 9.698 512 1HD LYS 62 2HD LYS 62 1.538 3.385 12.183 513 2HD LYS 62 1HD LYS 62 0.526 1.981 11.843 514 1HE LYS 62 2HE LYS 62 2.242 0.743 12.690 515 2HE LYS 62 1HE LYS 62 3.096 1.112 11.179 516 1HZ LYS 62 1HZ LYS 62 3.327 2.394 13.803 517 2HZ LYS 62 2HZ LYS 62 3.501 3.375 12.426 518 3HZ LYS 62 3HZ LYS 62 4.534 2.047 12.663 519 H LYS 63 H LYS 63 -0.749 4.106 10.900 520 HA LYS 63 HA LYS 63 -2.521 6.312 11.133 521 1HB LYS 63 2HB LYS 63 -1.589 4.168 13.063 522 2HB LYS 63 1HB LYS 63 -2.937 5.252 13.408 523 1HG LYS 63 2HG LYS 63 -2.984 3.873 10.773 524 2HG LYS 63 1HG LYS 63 -3.275 2.870 12.195 525 1HD LYS 63 2HD LYS 63 -5.411 3.597 12.111 526 2HD LYS 63 1HD LYS 63 -4.795 5.151 12.678 527 1HE LYS 63 2HE LYS 63 -5.256 6.121 10.683 528 2HE LYS 63 1HE LYS 63 -4.373 4.851 9.811 529 1HZ LYS 63 1HZ LYS 63 -7.019 4.330 11.020 530 2HZ LYS 63 2HZ LYS 63 -6.222 3.460 9.799 531 3HZ LYS 63 3HZ LYS 63 -6.890 4.985 9.461 532 H LYS 64 H LYS 64 -2.624 7.925 12.888 533 HA LYS 64 HA LYS 64 -1.663 9.645 14.195 534 1HB LYS 64 2HB LYS 64 0.464 7.564 14.755 535 2HB LYS 64 1HB LYS 64 -0.105 8.843 15.829 536 1HG LYS 64 2HG LYS 64 -2.379 7.312 15.061 537 2HG LYS 64 1HG LYS 64 -1.121 6.176 15.548 538 1HD LYS 64 2HD LYS 64 -0.796 7.482 17.645 539 2HD LYS 64 1HD LYS 64 -2.132 8.530 17.169 540 1HE LYS 64 2HE LYS 64 -3.688 6.646 17.209 541 2HE LYS 64 1HE LYS 64 -2.359 5.523 17.558 542 1HZ LYS 64 1HZ LYS 64 -3.149 6.049 19.660 543 2HZ LYS 64 2HZ LYS 64 -3.459 7.670 19.260 544 3HZ LYS 64 3HZ LYS 64 -1.861 7.137 19.476 545 H ARG 65 H ARG 65 -0.999 9.754 11.460 546 HA ARG 65 HA ARG 65 1.588 11.164 11.588 547 1HB ARG 65 2HB ARG 65 1.326 8.426 10.758 548 2HB ARG 65 1HB ARG 65 1.778 9.399 9.358 549 1HG ARG 65 2HG ARG 65 3.700 10.295 10.510 550 2HG ARG 65 1HG ARG 65 3.194 9.557 12.030 551 1HD ARG 65 2HD ARG 65 3.720 7.863 9.581 552 2HD ARG 65 1HD ARG 65 5.026 8.312 10.696 553 HE ARG 65 HE ARG 65 2.653 7.290 12.059 554 1HH1 ARG 65 1HH2 ARG 65 4.872 5.971 9.890 555 2HH1 ARG 65 2HH2 ARG 65 5.410 4.708 10.947 556 1HH2 ARG 65 1HH1 ARG 65 3.661 5.899 13.694 557 2HH2 ARG 65 2HH1 ARG 65 4.725 4.668 13.101 558 H LEU 66 H LEU 66 -1.423 11.443 10.779 559 HA LEU 66 HA LEU 66 -1.654 11.872 7.999 560 1HB LEU 66 2HB LEU 66 -2.995 12.717 10.508 561 2HB LEU 66 1HB LEU 66 -3.339 13.702 9.086 562 HG LEU 66 HG LEU 66 -4.914 11.745 9.427 563 1HD1 LEU 66 1HD1 LEU 66 -4.395 10.890 6.954 564 2HD1 LEU 66 2HD1 LEU 66 -3.298 12.270 6.967 565 3HD1 LEU 66 3HD1 LEU 66 -5.022 12.512 7.247 566 1HD2 LEU 66 1HD2 LEU 66 -3.213 10.142 10.231 567 2HD2 LEU 66 2HD2 LEU 66 -2.422 10.191 8.656 568 3HD2 LEU 66 3HD2 LEU 66 -4.044 9.516 8.806 569 H GLY 67 H GLY 67 0.550 12.860 7.588 570 1HA GLY 67 2HA GLY 67 1.958 14.685 7.209 571 2HA GLY 67 1HA GLY 67 0.457 15.580 6.982 572 H ARG 68 H ARG 68 1.751 14.036 9.909 573 HA ARG 68 HA ARG 68 1.824 16.730 11.202 574 1HB ARG 68 2HB ARG 68 1.345 14.279 12.812 575 2HB ARG 68 1HB ARG 68 0.621 15.875 12.990 576 1HG ARG 68 2HG ARG 68 -0.806 15.454 11.039 577 2HG ARG 68 1HG ARG 68 -0.037 13.883 10.809 578 1HD ARG 68 2HD ARG 68 -2.300 13.895 12.071 579 2HD ARG 68 1HD ARG 68 -0.965 13.025 12.853 580 HE ARG 68 HE ARG 68 -0.567 15.101 14.208 581 1HH1 ARG 68 1HH2 ARG 68 -3.176 14.023 15.104 582 2HH1 ARG 68 2HH2 ARG 68 -4.222 15.398 14.981 583 1HH2 ARG 68 1HH1 ARG 68 -2.069 17.184 12.929 584 2HH2 ARG 68 2HH1 ARG 68 -3.595 17.188 13.749 585 H TYR 69 H TYR 69 3.769 14.863 9.905 586 HA TYR 69 HA TYR 69 5.812 13.666 10.463 587 1HB TYR 69 2HB TYR 69 6.480 15.691 9.535 588 2HB TYR 69 1HB TYR 69 5.788 16.632 10.852 589 HD1 TYR 69 1HD TYR 69 7.968 13.641 11.208 590 HD2 TYR 69 2HD TYR 69 7.709 17.919 11.496 591 HE1 TYR 69 1HE TYR 69 10.188 13.701 12.313 592 HE2 TYR 69 2HE TYR 69 9.928 17.979 12.601 593 HH TYR 69 HH TYR 69 12.094 15.604 12.499 594 H LEU 70 H LEU 70 4.922 12.424 12.392 595 HA LEU 70 HA LEU 70 6.312 13.323 14.879 596 1HB LEU 70 2HB LEU 70 3.656 13.661 14.502 597 2HB LEU 70 1HB LEU 70 3.664 12.012 15.127 598 HG LEU 70 HG LEU 70 5.096 12.831 17.038 599 1HD1 LEU 70 1HD1 LEU 70 4.275 15.590 16.848 600 2HD1 LEU 70 2HD1 LEU 70 5.199 15.147 15.413 601 3HD1 LEU 70 3HD1 LEU 70 5.902 14.931 17.016 602 1HD2 LEU 70 1HD2 LEU 70 2.308 13.904 16.571 603 2HD2 LEU 70 2HD2 LEU 70 3.143 14.138 18.107 604 3HD2 LEU 70 3HD2 LEU 70 2.793 12.507 17.533 605 H GLY 71 H GLY 71 7.117 11.382 12.991 606 1HA GLY 71 2HA GLY 71 7.682 9.149 14.676 607 2HA GLY 71 1HA GLY 71 6.371 8.710 13.581 608 H LYS 72 H LYS 72 6.882 8.177 11.482 609 HA LYS 72 HA LYS 72 9.240 9.106 10.098 610 1HB LYS 72 2HB LYS 72 10.533 7.011 10.239 611 2HB LYS 72 1HB LYS 72 10.257 7.668 11.852 612 1HG LYS 72 2HG LYS 72 9.003 5.889 12.476 613 2HG LYS 72 1HG LYS 72 8.106 5.888 10.957 614 1HD LYS 72 2HD LYS 72 9.244 3.965 10.542 615 2HD LYS 72 1HD LYS 72 10.573 5.046 10.121 616 1HE LYS 72 2HE LYS 72 11.507 3.510 11.700 617 2HE LYS 72 1HE LYS 72 11.171 4.973 12.648 618 1HZ LYS 72 1HZ LYS 72 9.057 2.959 12.294 619 2HZ LYS 72 2HZ LYS 72 9.282 4.069 13.560 620 3HZ LYS 72 3HZ LYS 72 10.264 2.687 13.455 621 H ARG 73 H ARG 73 9.623 7.567 8.098 622 HA ARG 73 HA ARG 73 6.948 6.562 7.179 623 1HB ARG 73 2HB ARG 73 8.778 8.538 6.180 624 2HB ARG 73 1HB ARG 73 8.666 7.227 5.006 625 1HG ARG 73 2HG ARG 73 6.541 7.765 4.447 626 2HG ARG 73 1HG ARG 73 6.066 7.969 6.133 627 1HD ARG 73 2HD ARG 73 5.947 10.101 4.763 628 2HD ARG 73 1HD ARG 73 7.012 10.221 6.178 629 HE ARG 73 HE ARG 73 8.553 9.239 3.996 630 1HH1 ARG 73 1HH2 ARG 73 7.950 11.971 5.811 631 2HH1 ARG 73 2HH2 ARG 73 8.502 13.107 4.627 632 1HH2 ARG 73 1HH1 ARG 73 8.809 10.739 2.112 633 2HH2 ARG 73 2HH1 ARG 73 8.989 12.410 2.532 634 HA PRO 74 HA PRO 74 9.702 2.924 7.073 635 1HB PRO 74 2HB PRO 74 7.703 1.118 7.498 636 2HB PRO 74 1HB PRO 74 8.506 1.990 8.818 637 1HG PRO 74 2HG PRO 74 5.869 2.498 7.545 638 2HG PRO 74 1HG PRO 74 6.350 2.639 9.243 639 1HD PRO 74 2HD PRO 74 6.084 4.774 7.552 640 2HD PRO 74 1HD PRO 74 7.153 4.762 8.973 641 H ASP 75 H ASP 75 8.725 0.630 5.894 642 HA ASP 75 HA ASP 75 7.934 1.560 3.168 643 1HB ASP 75 2HB ASP 75 9.831 -0.484 4.269 644 2HB ASP 75 1HB ASP 75 9.083 -0.802 2.703 645 H ARG 76 H ARG 76 5.691 1.335 3.653 646 HA ARG 76 HA ARG 76 4.700 -1.384 4.362 647 1HB ARG 76 2HB ARG 76 3.934 0.642 5.596 648 2HB ARG 76 1HB ARG 76 3.283 1.288 4.089 649 1HG ARG 76 2HG ARG 76 1.565 0.128 5.513 650 2HG ARG 76 1HG ARG 76 1.730 -0.562 3.898 651 1HD ARG 76 2HD ARG 76 2.377 -2.565 4.744 652 2HD ARG 76 1HD ARG 76 3.584 -1.795 5.794 653 HE ARG 76 HE ARG 76 0.814 -2.427 6.543 654 1HH1 ARG 76 1HH2 ARG 76 3.158 -2.809 8.359 655 2HH1 ARG 76 2HH2 ARG 76 2.989 -1.482 9.460 656 1HH2 ARG 76 1HH1 ARG 76 0.795 0.272 7.426 657 2HH2 ARG 76 2HH1 ARG 76 1.652 0.263 8.931 658 H LYS 77 H LYS 77 3.108 -2.418 3.001 659 HA LYS 77 HA LYS 77 3.253 -1.552 0.142 660 1HB LYS 77 2HB LYS 77 4.129 -3.781 0.801 661 2HB LYS 77 1HB LYS 77 2.538 -4.204 1.433 662 1HG LYS 77 2HG LYS 77 1.548 -4.152 -0.731 663 2HG LYS 77 1HG LYS 77 2.940 -3.321 -1.429 664 1HD LYS 77 2HD LYS 77 4.338 -5.316 -0.975 665 2HD LYS 77 1HD LYS 77 2.922 -6.151 -0.341 666 1HE LYS 77 2HE LYS 77 1.817 -6.035 -2.512 667 2HE LYS 77 1HE LYS 77 3.144 -5.054 -3.166 668 1HZ LYS 77 1HZ LYS 77 4.614 -6.794 -3.071 669 2HZ LYS 77 2HZ LYS 77 3.184 -7.632 -3.444 670 3HZ LYS 77 3HZ LYS 77 3.764 -7.604 -1.847 671 H LYS 78 H LYS 78 1.376 -1.033 -0.941 672 HA LYS 78 HA LYS 78 -1.197 -1.259 0.575 673 1HB LYS 78 2HB LYS 78 -0.032 0.982 -0.176 674 2HB LYS 78 1HB LYS 78 -0.703 0.573 -1.756 675 1HG LYS 78 2HG LYS 78 -2.330 1.948 -0.636 676 2HG LYS 78 1HG LYS 78 -2.947 0.296 -0.620 677 1HD LYS 78 2HD LYS 78 -3.253 0.810 1.605 678 2HD LYS 78 1HD LYS 78 -1.594 0.216 1.683 679 1HE LYS 78 2HE LYS 78 -1.203 2.241 2.694 680 2HE LYS 78 1HE LYS 78 -1.176 2.846 1.025 681 1HZ LYS 78 1HZ LYS 78 -2.782 4.082 2.338 682 2HZ LYS 78 2HZ LYS 78 -3.577 2.643 2.768 683 3HZ LYS 78 3HZ LYS 78 -3.577 3.167 1.153 684 H ALA 79 H ALA 79 -3.073 -2.018 -0.654 685 HA ALA 79 HA ALA 79 -2.358 -3.323 -3.265 686 1HB ALA 79 1HB ALA 79 -2.862 -4.596 -0.971 687 2HB ALA 79 2HB ALA 79 -3.315 -5.251 -2.550 688 3HB ALA 79 3HB ALA 79 -4.515 -4.402 -1.565 689 H ILE 80 H ILE 80 -3.526 -2.459 -4.924 690 HA ILE 80 HA ILE 80 -6.187 -1.249 -4.362 691 HB ILE 80 HB ILE 80 -4.419 -1.301 -6.829 692 1HG1 ILE 80 2HG1 ILE 80 -4.794 0.694 -4.584 693 2HG1 ILE 80 1HG1 ILE 80 -3.292 -0.047 -5.136 694 1HG2 ILE 80 1HG2 ILE 80 -5.902 0.315 -7.767 695 2HG2 ILE 80 2HG2 ILE 80 -6.739 0.546 -6.232 696 3HG2 ILE 80 3HG2 ILE 80 -6.941 -0.959 -7.129 697 1HD1 ILE 80 1HD1 ILE 80 -3.437 2.249 -5.972 698 2HD1 ILE 80 2HD1 ILE 80 -5.004 1.898 -6.705 699 3HD1 ILE 80 3HD1 ILE 80 -3.545 1.111 -7.317 700 H VAL 81 H VAL 81 -7.789 -2.812 -4.426 701 HA VAL 81 HA VAL 81 -7.516 -5.063 -6.363 702 HB VAL 81 HB VAL 81 -9.666 -4.744 -4.276 703 1HG1 VAL 81 1HG1 VAL 81 -8.985 -6.730 -6.091 704 2HG1 VAL 81 2HG1 VAL 81 -10.001 -6.944 -4.665 705 3HG1 VAL 81 3HG1 VAL 81 -8.276 -7.301 -4.580 706 1HG2 VAL 81 1HG2 VAL 81 -7.639 -6.197 -3.042 707 2HG2 VAL 81 2HG2 VAL 81 -8.082 -4.531 -2.664 708 3HG2 VAL 81 3HG2 VAL 81 -6.776 -4.861 -3.804 709 H GLN 82 H GLN 82 -8.812 -5.119 -8.199 710 HA GLN 82 HA GLN 82 -11.032 -3.114 -8.337 711 1HB GLN 82 2HB GLN 82 -8.859 -3.356 -9.920 712 2HB GLN 82 1HB GLN 82 -9.942 -4.455 -10.754 713 1HG GLN 82 2HG GLN 82 -11.196 -1.931 -9.943 714 2HG GLN 82 1HG GLN 82 -9.907 -1.748 -11.123 715 1HE2 GLN 82 1HE2 GLN 82 -13.190 -2.218 -10.918 716 2HE2 GLN 82 2HE2 GLN 82 -13.451 -2.998 -12.403 717 H VAL 83 H VAL 83 -13.018 -3.853 -9.304 718 HA VAL 83 HA VAL 83 -13.250 -6.827 -9.338 719 HB VAL 83 HB VAL 83 -15.416 -6.612 -8.442 720 1HG1 VAL 83 1HG1 VAL 83 -15.165 -5.060 -6.496 721 2HG1 VAL 83 2HG1 VAL 83 -13.734 -4.374 -7.266 722 3HG1 VAL 83 3HG1 VAL 83 -13.737 -6.061 -6.753 723 1HG2 VAL 83 1HG2 VAL 83 -15.256 -3.689 -9.236 724 2HG2 VAL 83 2HG2 VAL 83 -16.599 -4.415 -8.346 725 3HG2 VAL 83 3HG2 VAL 83 -16.250 -4.937 -9.999 726 H ALA 84 H ALA 84 -14.726 -7.671 -10.973 727 HA ALA 84 HA ALA 84 -14.343 -6.526 -13.560 728 1HB ALA 84 1HB ALA 84 -16.517 -8.190 -13.751 729 2HB ALA 84 2HB ALA 84 -15.752 -8.737 -12.258 730 3HB ALA 84 3HB ALA 84 -14.831 -8.714 -13.768 731 HA PRO 85 HA PRO 85 -17.703 -3.778 -14.108 732 1HB PRO 85 2HB PRO 85 -18.664 -4.461 -16.576 733 2HB PRO 85 1HB PRO 85 -17.106 -3.665 -16.339 734 1HG PRO 85 2HG PRO 85 -17.695 -6.474 -16.932 735 2HG PRO 85 1HG PRO 85 -16.324 -5.486 -17.422 736 1HD PRO 85 2HD PRO 85 -16.273 -7.368 -15.394 737 2HD PRO 85 1HD PRO 85 -15.119 -6.039 -15.578 738 H GLY 86 H GLY 86 -18.650 -5.582 -12.367 739 1HA GLY 86 2HA GLY 86 -21.470 -5.790 -13.056 740 2HA GLY 86 1HA GLY 86 -20.683 -7.366 -12.981 741 H GLN 87 H GLN 87 -18.827 -6.592 -10.844 742 HA GLN 87 HA GLN 87 -20.789 -6.548 -8.580 743 1HB GLN 87 2HB GLN 87 -18.782 -7.701 -7.421 744 2HB GLN 87 1HB GLN 87 -19.643 -8.626 -8.650 745 1HG GLN 87 2HG GLN 87 -17.374 -6.925 -9.569 746 2HG GLN 87 1HG GLN 87 -16.974 -8.390 -8.671 747 1HE2 GLN 87 1HE2 GLN 87 -18.743 -10.277 -9.506 748 2HE2 GLN 87 2HE2 GLN 87 -18.695 -10.482 -11.191 749 H LYS 88 H LYS 88 -19.479 -5.810 -6.464 750 HA LYS 88 HA LYS 88 -17.446 -3.764 -6.822 751 1HB LYS 88 2HB LYS 88 -18.873 -1.833 -6.449 752 2HB LYS 88 1HB LYS 88 -19.535 -2.747 -7.804 753 1HG LYS 88 2HG LYS 88 -20.998 -3.944 -6.049 754 2HG LYS 88 1HG LYS 88 -20.536 -2.637 -4.959 755 1HD LYS 88 2HD LYS 88 -22.328 -1.558 -5.850 756 2HD LYS 88 1HD LYS 88 -21.240 -1.234 -7.200 757 1HE LYS 88 2HE LYS 88 -22.020 -3.396 -8.254 758 2HE LYS 88 1HE LYS 88 -23.247 -3.501 -6.977 759 1HZ LYS 88 1HZ LYS 88 -22.889 -1.002 -8.499 760 2HZ LYS 88 2HZ LYS 88 -24.259 -1.554 -7.659 761 3HZ LYS 88 3HZ LYS 88 -23.830 -2.256 -9.145 762 H ILE 89 H ILE 89 -16.372 -3.787 -4.886 763 HA ILE 89 HA ILE 89 -17.412 -5.111 -2.546 764 HB ILE 89 HB ILE 89 -15.063 -3.249 -3.028 765 1HG1 ILE 89 2HG1 ILE 89 -14.994 -6.242 -2.673 766 2HG1 ILE 89 1HG1 ILE 89 -15.344 -5.538 -4.252 767 1HG2 ILE 89 1HG2 ILE 89 -16.014 -4.731 -0.619 768 2HG2 ILE 89 2HG2 ILE 89 -15.120 -3.214 -0.724 769 3HG2 ILE 89 3HG2 ILE 89 -14.281 -4.749 -0.946 770 1HD1 ILE 89 1HD1 ILE 89 -13.222 -4.640 -4.475 771 2HD1 ILE 89 2HD1 ILE 89 -12.846 -6.076 -3.527 772 3HD1 ILE 89 3HD1 ILE 89 -12.979 -4.505 -2.734 773 H GLU 90 H GLU 90 -19.296 -4.118 -1.776 774 HA GLU 90 HA GLU 90 -19.651 -1.266 -1.503 775 1HB GLU 90 2HB GLU 90 -21.042 -3.487 0.013 776 2HB GLU 90 1HB GLU 90 -21.707 -1.923 -0.461 777 1HG GLU 90 2HG GLU 90 -20.856 -3.002 -2.870 778 2HG GLU 90 1HG GLU 90 -21.502 -4.399 -2.007 779 H ALA 91 H ALA 91 -17.900 -3.558 0.370 780 HA ALA 91 HA ALA 91 -18.222 -2.667 3.023 781 1HB ALA 91 1HB ALA 91 -15.846 -3.501 3.241 782 2HB ALA 91 2HB ALA 91 -15.793 -3.629 1.483 783 3HB ALA 91 3HB ALA 91 -16.923 -4.620 2.405 784 H LEU 92 H LEU 92 -16.492 -1.149 0.351 785 HA LEU 92 HA LEU 92 -15.489 0.978 2.207 786 1HB LEU 92 2HB LEU 92 -14.704 0.949 -0.661 787 2HB LEU 92 1HB LEU 92 -13.706 1.188 0.772 788 HG LEU 92 HG LEU 92 -14.759 -1.447 -0.282 789 1HD1 LEU 92 1HD1 LEU 92 -11.882 -1.069 0.221 790 2HD1 LEU 92 2HD1 LEU 92 -12.528 -0.022 -1.043 791 3HD1 LEU 92 3HD1 LEU 92 -12.695 -1.773 -1.177 792 1HD2 LEU 92 1HD2 LEU 92 -14.586 -2.191 1.840 793 2HD2 LEU 92 2HD2 LEU 92 -13.984 -0.622 2.379 794 3HD2 LEU 92 3HD2 LEU 92 -12.859 -1.837 1.771 795 H GLU 93 H GLU 93 -17.696 0.299 -0.389 796 HA GLU 93 HA GLU 93 -18.088 2.847 -1.527 797 1HB GLU 93 2HB GLU 93 -19.959 0.537 -0.934 798 2HB GLU 93 1HB GLU 93 -20.407 1.899 -1.962 799 1HG GLU 93 2HG GLU 93 -17.942 0.208 -2.439 800 2HG GLU 93 1HG GLU 93 -19.498 -0.116 -3.205 801 H GLY 94 H GLY 94 -19.917 1.377 1.192 802 1HA GLY 94 2HA GLY 94 -21.287 3.862 1.803 803 2HA GLY 94 1HA GLY 94 -21.299 2.408 2.800 804 H LEU 95 H LEU 95 -18.174 2.637 2.514 805 HA LEU 95 HA LEU 95 -17.729 3.841 5.094 806 1HB LEU 95 2HB LEU 95 -16.397 2.215 3.260 807 2HB LEU 95 1HB LEU 95 -15.418 3.682 3.310 808 HG LEU 95 HG LEU 95 -15.379 3.536 5.794 809 1HD1 LEU 95 1HD1 LEU 95 -16.116 1.355 6.804 810 2HD1 LEU 95 2HD1 LEU 95 -16.860 0.946 5.258 811 3HD1 LEU 95 3HD1 LEU 95 -17.447 2.330 6.180 812 1HD2 LEU 95 1HD2 LEU 95 -14.488 0.890 4.643 813 2HD2 LEU 95 2HD2 LEU 95 -13.704 1.863 5.887 814 3HD2 LEU 95 3HD2 LEU 95 -13.682 2.396 4.206 815 H ILE 96 H ILE 96 -18.273 5.246 2.059 816 HA ILE 96 HA ILE 96 -16.465 7.504 2.197 817 HB ILE 96 HB ILE 96 -19.064 6.918 0.751 818 1HG1 ILE 96 2HG1 ILE 96 -16.327 7.194 -0.468 819 2HG1 ILE 96 1HG1 ILE 96 -16.787 5.684 0.318 820 1HG2 ILE 96 1HG2 ILE 96 -18.532 9.408 1.143 821 2HG2 ILE 96 2HG2 ILE 96 -18.777 8.898 -0.527 822 3HG2 ILE 96 3HG2 ILE 96 -17.143 9.153 0.087 823 1HD1 ILE 96 1HD1 ILE 96 -18.049 7.008 -2.080 824 2HD1 ILE 96 2HD1 ILE 96 -18.927 5.812 -1.127 825 3HD1 ILE 96 3HD1 ILE 96 -17.425 5.364 -1.935 Start of MODEL 29 1 1H MET 1 1HT MET 1 -1.236 -11.213 12.744 2 2H MET 1 2HT MET 1 -1.628 -12.863 12.835 3 3H MET 1 3HT MET 1 -2.860 -11.699 12.721 4 HA MET 1 HA MET 1 -0.861 -11.819 10.561 5 1HB MET 1 2HB MET 1 -2.276 -14.070 11.503 6 2HB MET 1 1HB MET 1 -3.196 -13.491 10.108 7 1HG MET 1 2HG MET 1 -1.488 -13.898 8.625 8 2HG MET 1 1HG MET 1 -0.227 -13.653 9.837 9 1HE MET 1 1HE MET 1 -0.197 -15.459 12.096 10 2HE MET 1 2HE MET 1 1.013 -15.236 10.835 11 3HE MET 1 3HE MET 1 0.562 -16.864 11.335 12 H LYS 2 H LYS 2 -1.536 -10.127 9.240 13 HA LYS 2 HA LYS 2 -3.853 -8.573 9.417 14 1HB LYS 2 2HB LYS 2 -2.692 -9.581 6.790 15 2HB LYS 2 1HB LYS 2 -3.423 -8.012 7.088 16 1HG LYS 2 2HG LYS 2 -1.500 -7.770 8.880 17 2HG LYS 2 1HG LYS 2 -0.712 -9.011 7.904 18 1HD LYS 2 2HD LYS 2 -1.424 -7.427 5.902 19 2HD LYS 2 1HD LYS 2 -1.435 -6.199 7.168 20 1HE LYS 2 2HE LYS 2 0.934 -7.967 7.224 21 2HE LYS 2 1HE LYS 2 0.817 -6.927 5.790 22 1HZ LYS 2 1HZ LYS 2 0.475 -6.006 8.596 23 2HZ LYS 2 2HZ LYS 2 0.431 -5.030 7.206 24 3HZ LYS 2 3HZ LYS 2 1.879 -5.785 7.671 25 H THR 3 H THR 3 -5.724 -9.771 9.909 26 HA THR 3 HA THR 3 -7.143 -11.813 9.659 27 HB THR 3 HB THR 3 -7.630 -9.403 7.941 28 HG1 THR 3 1HG THR 3 -7.936 -9.468 10.256 29 1HG2 THR 3 1HG2 THR 3 -9.980 -10.347 7.586 30 2HG2 THR 3 2HG2 THR 3 -9.294 -11.916 8.006 31 3HG2 THR 3 3HG2 THR 3 -8.693 -11.040 6.598 32 H ALA 4 H ALA 4 -6.711 -10.542 6.390 33 HA ALA 4 HA ALA 4 -6.968 -12.954 4.920 34 1HB ALA 4 1HB ALA 4 -5.882 -10.228 4.692 35 2HB ALA 4 2HB ALA 4 -6.953 -11.098 3.591 36 3HB ALA 4 3HB ALA 4 -5.210 -11.388 3.552 37 H TYR 5 H TYR 5 -5.637 -14.417 6.439 38 HA TYR 5 HA TYR 5 -3.530 -15.221 7.304 39 1HB TYR 5 2HB TYR 5 -2.366 -16.246 5.270 40 2HB TYR 5 1HB TYR 5 -4.064 -16.652 5.478 41 HD1 TYR 5 1HD TYR 5 -5.758 -14.996 4.264 42 HD2 TYR 5 2HD TYR 5 -1.634 -15.521 3.184 43 HE1 TYR 5 1HE TYR 5 -6.241 -14.131 1.998 44 HE2 TYR 5 2HE TYR 5 -2.120 -14.652 0.910 45 HH TYR 5 HH TYR 5 -4.070 -14.440 -0.594 46 H ASP 6 H ASP 6 -3.345 -12.486 7.393 47 HA ASP 6 HA ASP 6 -1.759 -10.803 7.597 48 1HB ASP 6 2HB ASP 6 -0.322 -12.261 8.611 49 2HB ASP 6 1HB ASP 6 -0.133 -13.262 7.173 50 H VAL 7 H VAL 7 -3.143 -10.553 5.316 51 HA VAL 7 HA VAL 7 -1.042 -9.712 3.363 52 HB VAL 7 HB VAL 7 -3.679 -10.808 2.433 53 1HG1 VAL 7 1HG1 VAL 7 -0.925 -10.942 1.227 54 2HG1 VAL 7 2HG1 VAL 7 -2.005 -9.567 1.002 55 3HG1 VAL 7 3HG1 VAL 7 -2.474 -11.164 0.415 56 1HG2 VAL 7 1HG2 VAL 7 -3.210 -12.910 3.028 57 2HG2 VAL 7 2HG2 VAL 7 -1.801 -12.349 3.918 58 3HG2 VAL 7 3HG2 VAL 7 -1.644 -12.808 2.227 59 H ILE 8 H ILE 8 -4.604 -9.592 3.318 60 HA ILE 8 HA ILE 8 -4.435 -6.660 2.838 61 HB ILE 8 HB ILE 8 -6.882 -8.405 2.545 62 1HG1 ILE 8 2HG1 ILE 8 -4.994 -9.630 1.485 63 2HG1 ILE 8 1HG1 ILE 8 -6.150 -9.039 0.292 64 1HG2 ILE 8 1HG2 ILE 8 -7.454 -6.816 0.840 65 2HG2 ILE 8 2HG2 ILE 8 -5.812 -6.172 0.785 66 3HG2 ILE 8 3HG2 ILE 8 -6.837 -5.867 2.190 67 1HD1 ILE 8 1HD1 ILE 8 -3.715 -7.433 1.064 68 2HD1 ILE 8 2HD1 ILE 8 -4.732 -7.263 -0.367 69 3HD1 ILE 8 3HD1 ILE 8 -3.657 -8.653 -0.209 70 H LEU 9 H LEU 9 -4.891 -5.356 4.527 71 HA LEU 9 HA LEU 9 -6.377 -6.435 6.863 72 1HB LEU 9 2HB LEU 9 -4.592 -4.075 6.270 73 2HB LEU 9 1HB LEU 9 -5.565 -4.112 7.741 74 HG LEU 9 HG LEU 9 -3.529 -6.187 6.890 75 1HD1 LEU 9 1HD1 LEU 9 -3.565 -3.942 8.889 76 2HD1 LEU 9 2HD1 LEU 9 -2.291 -4.403 7.760 77 3HD1 LEU 9 3HD1 LEU 9 -2.588 -5.378 9.199 78 1HD2 LEU 9 1HD2 LEU 9 -5.718 -6.170 8.888 79 2HD2 LEU 9 2HD2 LEU 9 -4.155 -6.729 9.487 80 3HD2 LEU 9 3HD2 LEU 9 -4.914 -7.536 8.115 81 H ALA 10 H ALA 10 -6.542 -3.051 6.543 82 HA ALA 10 HA ALA 10 -9.424 -3.239 5.766 83 1HB ALA 10 1HB ALA 10 -9.757 -1.409 7.232 84 2HB ALA 10 2HB ALA 10 -8.055 -0.947 7.175 85 3HB ALA 10 3HB ALA 10 -8.549 -2.389 8.063 86 HA PRO 11 HA PRO 11 -8.574 -0.789 2.212 87 1HB PRO 11 2HB PRO 11 -10.919 0.603 1.982 88 2HB PRO 11 1HB PRO 11 -10.786 -1.126 1.603 89 1HG PRO 11 2HG PRO 11 -11.865 0.201 4.036 90 2HG PRO 11 1HG PRO 11 -12.435 -1.248 3.193 91 1HD PRO 11 2HD PRO 11 -10.963 -1.308 5.497 92 2HD PRO 11 1HD PRO 11 -10.978 -2.619 4.298 93 H VAL 12 H VAL 12 -7.629 1.245 1.831 94 HA VAL 12 HA VAL 12 -7.454 3.085 4.126 95 HB VAL 12 HB VAL 12 -5.625 3.992 2.939 96 1HG1 VAL 12 1HG1 VAL 12 -5.600 1.394 3.391 97 2HG1 VAL 12 2HG1 VAL 12 -4.305 2.137 2.452 98 3HG1 VAL 12 3HG1 VAL 12 -5.616 1.291 1.630 99 1HG2 VAL 12 1HG2 VAL 12 -6.821 2.842 0.397 100 2HG2 VAL 12 2HG2 VAL 12 -5.360 3.825 0.506 101 3HG2 VAL 12 3HG2 VAL 12 -6.930 4.533 0.891 102 H LEU 13 H LEU 13 -8.617 4.976 4.301 103 HA LEU 13 HA LEU 13 -10.396 5.711 2.021 104 1HB LEU 13 2HB LEU 13 -10.384 6.358 4.983 105 2HB LEU 13 1HB LEU 13 -11.569 6.989 3.840 106 HG LEU 13 HG LEU 13 -12.585 5.061 4.811 107 1HD1 LEU 13 1HD1 LEU 13 -12.206 5.266 2.128 108 2HD1 LEU 13 2HD1 LEU 13 -13.178 3.999 2.873 109 3HD1 LEU 13 3HD1 LEU 13 -11.507 3.675 2.419 110 1HD2 LEU 13 1HD2 LEU 13 -10.239 3.335 4.052 111 2HD2 LEU 13 2HD2 LEU 13 -11.488 3.036 5.259 112 3HD2 LEU 13 3HD2 LEU 13 -10.224 4.225 5.575 113 H SER 14 H SER 14 -9.479 7.263 0.732 114 HA SER 14 HA SER 14 -8.612 9.801 1.913 115 1HB SER 14 2HB SER 14 -6.593 8.210 0.326 116 2HB SER 14 1HB SER 14 -6.311 9.627 1.331 117 HG SER 14 HG SER 14 -6.740 6.955 2.044 118 H GLU 15 H GLU 15 -8.560 11.459 0.312 119 HA GLU 15 HA GLU 15 -10.212 11.379 -1.897 120 1HB GLU 15 2HB GLU 15 -7.598 12.849 -1.445 121 2HB GLU 15 1HB GLU 15 -8.716 13.248 -2.751 122 1HG GLU 15 2HG GLU 15 -10.468 13.790 -1.189 123 2HG GLU 15 1HG GLU 15 -9.527 13.166 0.166 124 H LYS 16 H LYS 16 -6.664 10.846 -2.044 125 HA LYS 16 HA LYS 16 -6.463 10.175 -4.762 126 1HB LYS 16 2HB LYS 16 -4.980 9.257 -2.287 127 2HB LYS 16 1HB LYS 16 -4.428 8.888 -3.922 128 1HG LYS 16 2HG LYS 16 -4.658 11.452 -4.327 129 2HG LYS 16 1HG LYS 16 -4.639 11.569 -2.567 130 1HD LYS 16 2HD LYS 16 -2.361 11.803 -3.388 131 2HD LYS 16 1HD LYS 16 -2.506 10.256 -2.554 132 1HE LYS 16 2HE LYS 16 -2.621 9.044 -4.622 133 2HE LYS 16 1HE LYS 16 -2.841 10.537 -5.557 134 1HZ LYS 16 1HZ LYS 16 -0.583 10.225 -5.738 135 2HZ LYS 16 2HZ LYS 16 -0.433 9.542 -4.189 136 3HZ LYS 16 3HZ LYS 16 -0.654 11.218 -4.365 137 H ALA 17 H ALA 17 -7.812 8.348 -2.122 138 HA ALA 17 HA ALA 17 -7.806 5.830 -3.721 139 1HB ALA 17 1HB ALA 17 -7.786 6.627 -0.916 140 2HB ALA 17 2HB ALA 17 -7.360 5.073 -1.634 141 3HB ALA 17 3HB ALA 17 -9.042 5.430 -1.240 142 H TYR 18 H TYR 18 -10.146 7.695 -1.733 143 HA TYR 18 HA TYR 18 -12.518 6.467 -2.496 144 1HB TYR 18 2HB TYR 18 -11.651 9.200 -1.692 145 2HB TYR 18 1HB TYR 18 -13.281 9.055 -2.352 146 HD1 TYR 18 1HD TYR 18 -11.976 9.464 0.633 147 HD2 TYR 18 2HD TYR 18 -14.043 6.345 -1.468 148 HE1 TYR 18 1HE TYR 18 -12.764 8.532 2.794 149 HE2 TYR 18 2HE TYR 18 -14.830 5.404 0.691 150 HH TYR 18 HH TYR 18 -14.192 7.071 3.753 151 H ALA 19 H ALA 19 -10.610 8.806 -4.352 152 HA ALA 19 HA ALA 19 -12.629 8.887 -6.506 153 1HB ALA 19 1HB ALA 19 -10.257 10.177 -7.290 154 2HB ALA 19 2HB ALA 19 -10.359 10.433 -5.549 155 3HB ALA 19 3HB ALA 19 -11.685 10.943 -6.594 156 H GLY 20 H GLY 20 -10.027 6.927 -5.605 157 1HA GLY 20 2HA GLY 20 -9.436 6.120 -8.418 158 2HA GLY 20 1HA GLY 20 -8.424 5.739 -7.023 159 H PHE 21 H PHE 21 -10.642 5.019 -5.315 160 HA PHE 21 HA PHE 21 -10.987 2.249 -6.185 161 1HB PHE 21 2HB PHE 21 -11.214 1.983 -3.928 162 2HB PHE 21 1HB PHE 21 -10.808 3.686 -3.796 163 HD1 PHE 21 1HD PHE 21 -12.757 5.383 -3.997 164 HD2 PHE 21 2HD PHE 21 -13.312 1.200 -3.210 165 HE1 PHE 21 1HE PHE 21 -15.018 5.854 -3.103 166 HE2 PHE 21 2HE PHE 21 -15.578 1.669 -2.316 167 HZ PHE 21 HZ PHE 21 -16.432 3.996 -2.262 168 H ALA 22 H ALA 22 -12.715 5.211 -6.394 169 HA ALA 22 HA ALA 22 -15.403 4.451 -6.416 170 1HB ALA 22 1HB ALA 22 -15.665 6.595 -7.177 171 2HB ALA 22 2HB ALA 22 -14.468 6.387 -8.456 172 3HB ALA 22 3HB ALA 22 -13.945 6.695 -6.800 173 H GLU 23 H GLU 23 -12.904 3.758 -8.730 174 HA GLU 23 HA GLU 23 -14.783 3.085 -10.909 175 1HB GLU 23 2HB GLU 23 -12.215 4.020 -10.748 176 2HB GLU 23 1HB GLU 23 -11.931 2.304 -11.032 177 1HG GLU 23 2HG GLU 23 -14.057 3.376 -12.729 178 2HG GLU 23 1HG GLU 23 -12.514 4.190 -12.986 179 H GLY 24 H GLY 24 -14.423 1.560 -8.166 180 1HA GLY 24 2HA GLY 24 -15.067 -0.707 -7.749 181 2HA GLY 24 1HA GLY 24 -14.558 -1.105 -9.384 182 H LYS 25 H LYS 25 -12.211 0.842 -8.193 183 HA LYS 25 HA LYS 25 -10.339 -1.377 -7.771 184 1HB LYS 25 2HB LYS 25 -10.213 1.654 -7.776 185 2HB LYS 25 1HB LYS 25 -8.789 0.658 -7.485 186 1HG LYS 25 2HG LYS 25 -9.235 -0.503 -9.668 187 2HG LYS 25 1HG LYS 25 -10.534 0.652 -9.964 188 1HD LYS 25 2HD LYS 25 -8.619 2.416 -9.419 189 2HD LYS 25 1HD LYS 25 -7.576 1.092 -9.941 190 1HE LYS 25 2HE LYS 25 -8.730 0.955 -12.086 191 2HE LYS 25 1HE LYS 25 -9.905 2.179 -11.564 192 1HZ LYS 25 1HZ LYS 25 -6.992 2.686 -11.478 193 2HZ LYS 25 2HZ LYS 25 -8.262 3.813 -11.434 194 3HZ LYS 25 3HZ LYS 25 -7.897 2.996 -12.878 195 H TYR 26 H TYR 26 -9.449 -1.948 -5.724 196 HA TYR 26 HA TYR 26 -10.500 -0.399 -3.388 197 1HB TYR 26 2HB TYR 26 -10.344 -3.383 -3.862 198 2HB TYR 26 1HB TYR 26 -10.719 -2.666 -2.291 199 HD1 TYR 26 1HD TYR 26 -12.355 -0.379 -2.881 200 HD2 TYR 26 2HD TYR 26 -12.346 -4.230 -4.785 201 HE1 TYR 26 1HE TYR 26 -14.705 -0.033 -3.589 202 HE2 TYR 26 2HE TYR 26 -14.699 -3.880 -5.489 203 HH TYR 26 HH TYR 26 -16.698 -1.650 -4.191 204 H THR 27 H THR 27 -8.767 0.560 -2.505 205 HA THR 27 HA THR 27 -6.079 -0.570 -2.596 206 HB THR 27 HB THR 27 -7.181 1.853 -1.146 207 HG1 THR 27 1HG THR 27 -7.330 2.761 -3.018 208 1HG2 THR 27 1HG2 THR 27 -5.045 2.001 -0.443 209 2HG2 THR 27 2HG2 THR 27 -4.612 2.349 -2.118 210 3HG2 THR 27 3HG2 THR 27 -4.534 0.695 -1.512 211 H PHE 28 H PHE 28 -5.304 -1.907 -1.082 212 HA PHE 28 HA PHE 28 -6.622 -1.977 1.612 213 1HB PHE 28 2HB PHE 28 -5.239 -4.126 -0.023 214 2HB PHE 28 1HB PHE 28 -5.947 -4.358 1.567 215 HD1 PHE 28 1HD PHE 28 -6.706 -5.813 -1.030 216 HD2 PHE 28 2HD PHE 28 -8.302 -2.339 0.934 217 HE1 PHE 28 1HE PHE 28 -8.920 -6.226 -2.084 218 HE2 PHE 28 2HE PHE 28 -10.509 -2.755 -0.114 219 HZ PHE 28 HZ PHE 28 -10.818 -4.699 -1.622 220 H TRP 29 H TRP 29 -5.060 -2.703 3.354 221 HA TRP 29 HA TRP 29 -2.349 -1.543 2.868 222 1HB TRP 29 2HB TRP 29 -4.246 -1.808 5.167 223 2HB TRP 29 1HB TRP 29 -2.524 -1.879 5.544 224 HD1 TRP 29 HD TRP 29 -4.924 0.568 5.814 225 HE1 TRP 29 1HE TRP 29 -4.119 2.934 5.185 226 HE3 TRP 29 3HE TRP 29 -0.721 -0.602 3.147 227 HZ2 TRP 29 2HZ TRP 29 -1.985 4.169 3.746 228 HZ3 TRP 29 3HZ TRP 29 0.683 1.192 2.156 229 HH2 TRP 29 HH TRP 29 0.047 3.577 2.457 230 H VAL 30 H VAL 30 -0.771 -3.100 2.576 231 HA VAL 30 HA VAL 30 -1.076 -5.670 4.022 232 HB VAL 30 HB VAL 30 -2.267 -5.979 1.999 233 1HG1 VAL 30 1HG1 VAL 30 -1.756 -4.181 0.606 234 2HG1 VAL 30 2HG1 VAL 30 -0.914 -5.497 -0.211 235 3HG1 VAL 30 3HG1 VAL 30 -0.017 -4.384 0.820 236 1HG2 VAL 30 1HG2 VAL 30 -0.422 -7.646 2.614 237 2HG2 VAL 30 2HG2 VAL 30 0.458 -6.959 1.250 238 3HG2 VAL 30 3HG2 VAL 30 -1.109 -7.731 0.994 239 H HIS 31 H HIS 31 0.869 -7.023 3.802 240 HA HIS 31 HA HIS 31 3.285 -5.605 4.355 241 1HB HIS 31 2HB HIS 31 2.292 -8.339 4.089 242 2HB HIS 31 1HB HIS 31 3.969 -8.191 3.562 243 HD1 HIS 31 1HD HIS 31 3.966 -9.737 5.981 244 HD2 HIS 31 2HD HIS 31 3.617 -5.590 6.218 245 HE1 HIS 31 1HE HIS 31 4.641 -9.095 8.336 246 HA PRO 32 HA PRO 32 4.869 -4.811 0.328 247 1HB PRO 32 2HB PRO 32 7.537 -4.731 0.917 248 2HB PRO 32 1HB PRO 32 6.407 -3.448 1.382 249 1HG PRO 32 2HG PRO 32 7.544 -5.643 3.028 250 2HG PRO 32 1HG PRO 32 7.217 -3.959 3.464 251 1HD PRO 32 2HD PRO 32 5.601 -6.050 4.163 252 2HD PRO 32 1HD PRO 32 5.030 -4.377 3.970 253 H LYS 33 H LYS 33 4.135 -7.229 -0.038 254 HA LYS 33 HA LYS 33 6.224 -8.638 -1.410 255 1HB LYS 33 2HB LYS 33 6.229 -10.572 0.328 256 2HB LYS 33 1HB LYS 33 7.162 -9.125 0.710 257 1HG LYS 33 2HG LYS 33 5.943 -8.835 2.580 258 2HG LYS 33 1HG LYS 33 4.483 -8.689 1.611 259 1HD LYS 33 2HD LYS 33 4.145 -10.518 3.147 260 2HD LYS 33 1HD LYS 33 4.378 -11.213 1.542 261 1HE LYS 33 2HE LYS 33 6.973 -11.034 2.515 262 2HE LYS 33 1HE LYS 33 6.033 -11.521 3.940 263 1HZ LYS 33 1HZ LYS 33 6.734 -13.396 2.452 264 2HZ LYS 33 2HZ LYS 33 5.692 -12.762 1.267 265 3HZ LYS 33 3HZ LYS 33 5.067 -13.305 2.751 266 H ALA 34 H ALA 34 3.138 -8.834 0.317 267 HA ALA 34 HA ALA 34 1.986 -11.177 -0.537 268 1HB ALA 34 1HB ALA 34 0.596 -9.818 0.724 269 2HB ALA 34 2HB ALA 34 -0.093 -9.525 -0.872 270 3HB ALA 34 3HB ALA 34 1.036 -8.364 -0.171 271 H THR 35 H THR 35 2.631 -11.949 -2.592 272 HA THR 35 HA THR 35 3.002 -10.685 -5.007 273 HB THR 35 HB THR 35 1.641 -12.903 -5.793 274 HG1 THR 35 1HG THR 35 2.589 -13.737 -3.318 275 1HG2 THR 35 1HG2 THR 35 4.292 -13.110 -4.359 276 2HG2 THR 35 2HG2 THR 35 4.128 -12.314 -5.924 277 3HG2 THR 35 3HG2 THR 35 3.739 -14.026 -5.761 278 H LYS 36 H LYS 36 1.721 -9.649 -6.528 279 HA LYS 36 HA LYS 36 -0.671 -8.385 -5.991 280 1HB LYS 36 2HB LYS 36 0.418 -9.597 -8.544 281 2HB LYS 36 1HB LYS 36 -0.986 -8.529 -8.528 282 1HG LYS 36 2HG LYS 36 0.761 -7.088 -7.012 283 2HG LYS 36 1HG LYS 36 1.874 -7.891 -8.120 284 1HD LYS 36 2HD LYS 36 1.266 -6.518 -9.795 285 2HD LYS 36 1HD LYS 36 -0.431 -6.945 -9.575 286 1HE LYS 36 2HE LYS 36 -0.763 -5.214 -7.959 287 2HE LYS 36 1HE LYS 36 0.982 -4.948 -7.784 288 1HZ LYS 36 1HZ LYS 36 0.231 -3.300 -9.276 289 2HZ LYS 36 2HZ LYS 36 -0.710 -4.406 -10.159 290 3HZ LYS 36 3HZ LYS 36 0.987 -4.473 -10.241 291 H THR 37 H THR 37 -0.262 -11.737 -7.090 292 HA THR 37 HA THR 37 -3.096 -12.240 -7.436 293 HB THR 37 HB THR 37 -0.577 -13.819 -7.319 294 HG1 THR 37 1HG THR 37 -1.373 -14.334 -9.458 295 1HG2 THR 37 1HG2 THR 37 -2.076 -15.809 -7.982 296 2HG2 THR 37 2HG2 THR 37 -3.393 -14.877 -7.270 297 3HG2 THR 37 3HG2 THR 37 -2.022 -15.370 -6.275 298 H GLU 38 H GLU 38 -0.752 -12.714 -4.821 299 HA GLU 38 HA GLU 38 -2.273 -14.335 -3.074 300 1HB GLU 38 2HB GLU 38 0.034 -12.563 -3.026 301 2HB GLU 38 1HB GLU 38 -0.864 -12.473 -1.511 302 1HG GLU 38 2HG GLU 38 -0.888 -15.131 -1.812 303 2HG GLU 38 1HG GLU 38 0.582 -14.784 -2.722 304 H ILE 39 H ILE 39 -2.199 -10.769 -3.347 305 HA ILE 39 HA ILE 39 -4.035 -10.146 -1.275 306 HB ILE 39 HB ILE 39 -3.353 -8.901 -3.953 307 1HG1 ILE 39 2HG1 ILE 39 -2.728 -7.561 -1.389 308 2HG1 ILE 39 1HG1 ILE 39 -1.888 -9.090 -1.650 309 1HG2 ILE 39 1HG2 ILE 39 -4.396 -6.845 -2.512 310 2HG2 ILE 39 2HG2 ILE 39 -5.432 -8.168 -1.976 311 3HG2 ILE 39 3HG2 ILE 39 -5.320 -7.777 -3.691 312 1HD1 ILE 39 1HD1 ILE 39 -1.320 -6.541 -2.818 313 2HD1 ILE 39 2HD1 ILE 39 -1.831 -7.634 -4.105 314 3HD1 ILE 39 3HD1 ILE 39 -0.472 -8.068 -3.066 315 H LYS 40 H LYS 40 -4.533 -11.319 -4.551 316 HA LYS 40 HA LYS 40 -7.305 -10.744 -4.887 317 1HB LYS 40 2HB LYS 40 -5.528 -11.524 -6.542 318 2HB LYS 40 1HB LYS 40 -5.762 -13.146 -5.894 319 1HG LYS 40 2HG LYS 40 -7.904 -13.339 -6.757 320 2HG LYS 40 1HG LYS 40 -8.173 -11.596 -6.758 321 1HD LYS 40 2HD LYS 40 -6.732 -11.300 -8.670 322 2HD LYS 40 1HD LYS 40 -6.195 -12.979 -8.589 323 1HE LYS 40 2HE LYS 40 -9.076 -12.921 -8.722 324 2HE LYS 40 1HE LYS 40 -8.399 -11.968 -10.058 325 1HZ LYS 40 1HZ LYS 40 -8.194 -14.061 -10.921 326 2HZ LYS 40 2HZ LYS 40 -7.996 -14.800 -9.404 327 3HZ LYS 40 3HZ LYS 40 -6.708 -13.949 -10.113 328 H ASN 41 H ASN 41 -5.709 -13.709 -3.670 329 HA ASN 41 HA ASN 41 -8.098 -15.206 -3.220 330 1HB ASN 41 2HB ASN 41 -5.281 -15.259 -2.135 331 2HB ASN 41 1HB ASN 41 -6.479 -16.461 -1.654 332 1HD2 ASN 41 1HD2 ASN 41 -3.956 -16.485 -3.543 333 2HD2 ASN 41 2HD2 ASN 41 -4.533 -17.288 -4.923 334 H ALA 42 H ALA 42 -6.345 -12.933 -1.107 335 HA ALA 42 HA ALA 42 -7.829 -13.626 1.277 336 1HB ALA 42 1HB ALA 42 -6.742 -10.930 1.203 337 2HB ALA 42 2HB ALA 42 -5.600 -12.101 0.545 338 3HB ALA 42 3HB ALA 42 -6.234 -12.311 2.178 339 H VAL 43 H VAL 43 -8.117 -10.809 -0.961 340 HA VAL 43 HA VAL 43 -10.411 -9.751 0.446 341 HB VAL 43 HB VAL 43 -10.582 -8.337 -1.622 342 1HG1 VAL 43 1HG1 VAL 43 -9.176 -7.299 -0.147 343 2HG1 VAL 43 2HG1 VAL 43 -7.976 -7.683 -1.384 344 3HG1 VAL 43 3HG1 VAL 43 -8.146 -8.718 0.034 345 1HG2 VAL 43 1HG2 VAL 43 -8.084 -9.152 -2.792 346 2HG2 VAL 43 2HG2 VAL 43 -9.673 -9.043 -3.550 347 3HG2 VAL 43 3HG2 VAL 43 -9.179 -10.534 -2.747 348 H GLU 44 H GLU 44 -10.039 -12.088 -2.177 349 HA GLU 44 HA GLU 44 -12.661 -12.040 -3.260 350 1HB GLU 44 2HB GLU 44 -10.314 -13.673 -3.295 351 2HB GLU 44 1HB GLU 44 -11.696 -14.734 -3.019 352 1HG GLU 44 2HG GLU 44 -12.364 -12.763 -5.020 353 2HG GLU 44 1HG GLU 44 -10.881 -13.602 -5.478 354 H THR 45 H THR 45 -11.385 -14.030 -0.569 355 HA THR 45 HA THR 45 -14.052 -14.977 0.184 356 HB THR 45 HB THR 45 -12.790 -16.140 1.912 357 HG1 THR 45 1HG THR 45 -10.681 -15.578 2.347 358 1HG2 THR 45 1HG2 THR 45 -12.435 -16.545 -0.719 359 2HG2 THR 45 2HG2 THR 45 -11.594 -17.500 0.501 360 3HG2 THR 45 3HG2 THR 45 -10.775 -16.146 -0.278 361 H ALA 46 H ALA 46 -11.635 -12.730 1.539 362 HA ALA 46 HA ALA 46 -13.075 -11.956 3.873 363 1HB ALA 46 1HB ALA 46 -11.265 -10.186 2.221 364 2HB ALA 46 2HB ALA 46 -10.638 -11.558 3.135 365 3HB ALA 46 3HB ALA 46 -11.437 -10.229 3.976 366 H PHE 47 H PHE 47 -12.670 -9.941 0.927 367 HA PHE 47 HA PHE 47 -14.926 -8.256 1.601 368 1HB PHE 47 2HB PHE 47 -13.066 -8.661 -0.723 369 2HB PHE 47 1HB PHE 47 -14.475 -7.620 -0.917 370 HD1 PHE 47 1HD PHE 47 -11.097 -7.678 0.043 371 HD2 PHE 47 2HD PHE 47 -14.869 -5.941 1.137 372 HE1 PHE 47 1HE PHE 47 -9.912 -5.848 1.225 373 HE2 PHE 47 2HE PHE 47 -13.684 -4.112 2.320 374 HZ PHE 47 HZ PHE 47 -11.205 -4.065 2.364 375 H LYS 48 H LYS 48 -14.571 -11.264 -0.091 376 HA LYS 48 HA LYS 48 -16.177 -12.695 -1.051 377 1HB LYS 48 2HB LYS 48 -17.548 -10.899 0.817 378 2HB LYS 48 1HB LYS 48 -18.614 -11.498 -0.456 379 1HG LYS 48 2HG LYS 48 -17.288 -13.784 0.183 380 2HG LYS 48 1HG LYS 48 -17.293 -12.972 1.749 381 1HD LYS 48 2HD LYS 48 -19.849 -12.524 1.040 382 2HD LYS 48 1HD LYS 48 -19.576 -14.024 0.154 383 1HE LYS 48 2HE LYS 48 -18.584 -14.923 2.384 384 2HE LYS 48 1HE LYS 48 -19.425 -13.552 3.132 385 1HZ LYS 48 1HZ LYS 48 -21.460 -14.335 2.529 386 2HZ LYS 48 2HZ LYS 48 -20.656 -15.825 2.680 387 3HZ LYS 48 3HZ LYS 48 -20.882 -15.127 1.146 388 H VAL 49 H VAL 49 -15.039 -10.837 -2.771 389 HA VAL 49 HA VAL 49 -17.339 -10.150 -4.543 390 HB VAL 49 HB VAL 49 -15.771 -8.399 -3.141 391 1HG1 VAL 49 1HG1 VAL 49 -13.888 -9.238 -4.809 392 2HG1 VAL 49 2HG1 VAL 49 -14.009 -7.538 -4.360 393 3HG1 VAL 49 3HG1 VAL 49 -14.666 -8.090 -5.899 394 1HG2 VAL 49 1HG2 VAL 49 -16.778 -7.688 -5.870 395 2HG2 VAL 49 2HG2 VAL 49 -16.859 -6.752 -4.377 396 3HG2 VAL 49 3HG2 VAL 49 -17.895 -8.163 -4.591 397 H LYS 50 H LYS 50 -15.803 -9.304 -6.714 398 HA LYS 50 HA LYS 50 -14.292 -11.797 -7.435 399 1HB LYS 50 2HB LYS 50 -16.605 -11.099 -8.492 400 2HB LYS 50 1HB LYS 50 -15.617 -9.976 -9.428 401 1HG LYS 50 2HG LYS 50 -14.776 -12.851 -9.221 402 2HG LYS 50 1HG LYS 50 -16.054 -12.402 -10.352 403 1HD LYS 50 2HD LYS 50 -14.215 -10.461 -10.876 404 2HD LYS 50 1HD LYS 50 -13.158 -11.805 -10.443 405 1HE LYS 50 2HE LYS 50 -14.057 -13.202 -12.165 406 2HE LYS 50 1HE LYS 50 -15.424 -12.102 -12.437 407 1HZ LYS 50 1HZ LYS 50 -12.563 -11.386 -12.808 408 2HZ LYS 50 2HZ LYS 50 -13.899 -10.383 -13.118 409 3HZ LYS 50 3HZ LYS 50 -13.633 -11.768 -14.066 410 H VAL 51 H VAL 51 -12.144 -11.195 -7.277 411 HA VAL 51 HA VAL 51 -11.238 -8.484 -7.876 412 HB VAL 51 HB VAL 51 -9.917 -11.135 -7.251 413 1HG1 VAL 51 1HG1 VAL 51 -8.177 -10.127 -8.408 414 2HG1 VAL 51 2HG1 VAL 51 -7.926 -9.429 -6.808 415 3HG1 VAL 51 3HG1 VAL 51 -8.750 -8.497 -8.058 416 1HG2 VAL 51 1HG2 VAL 51 -10.269 -10.503 -5.117 417 2HG2 VAL 51 2HG2 VAL 51 -11.144 -9.088 -5.698 418 3HG2 VAL 51 3HG2 VAL 51 -9.408 -8.992 -5.405 419 H VAL 52 H VAL 52 -10.934 -7.780 -9.943 420 HA VAL 52 HA VAL 52 -10.274 -9.804 -12.052 421 HB VAL 52 HB VAL 52 -12.413 -8.643 -12.322 422 1HG1 VAL 52 1HG1 VAL 52 -12.097 -6.663 -11.037 423 2HG1 VAL 52 2HG1 VAL 52 -12.304 -6.119 -12.697 424 3HG1 VAL 52 3HG1 VAL 52 -10.692 -6.181 -11.981 425 1HG2 VAL 52 1HG2 VAL 52 -10.730 -7.144 -14.257 426 2HG2 VAL 52 2HG2 VAL 52 -12.134 -8.179 -14.547 427 3HG2 VAL 52 3HG2 VAL 52 -10.549 -8.899 -14.246 428 H LYS 53 H LYS 53 -8.750 -7.648 -10.113 429 HA LYS 53 HA LYS 53 -6.335 -7.509 -11.584 430 1HB LYS 53 2HB LYS 53 -8.460 -5.687 -12.412 431 2HB LYS 53 1HB LYS 53 -7.000 -4.814 -11.944 432 1HG LYS 53 2HG LYS 53 -5.978 -6.908 -13.414 433 2HG LYS 53 1HG LYS 53 -7.479 -6.545 -14.270 434 1HD LYS 53 2HD LYS 53 -6.804 -4.401 -14.834 435 2HD LYS 53 1HD LYS 53 -5.727 -4.263 -13.444 436 1HE LYS 53 2HE LYS 53 -5.150 -6.245 -15.652 437 2HE LYS 53 1HE LYS 53 -4.609 -4.558 -15.762 438 1HZ LYS 53 1HZ LYS 53 -4.199 -5.889 -13.207 439 2HZ LYS 53 2HZ LYS 53 -3.198 -4.790 -14.031 440 3HZ LYS 53 3HZ LYS 53 -3.221 -6.428 -14.485 441 H VAL 54 H VAL 54 -4.941 -7.208 -9.879 442 HA VAL 54 HA VAL 54 -5.758 -5.276 -7.738 443 HB VAL 54 HB VAL 54 -4.851 -8.031 -7.727 444 1HG1 VAL 54 1HG1 VAL 54 -3.238 -6.104 -6.021 445 2HG1 VAL 54 2HG1 VAL 54 -2.599 -7.048 -7.369 446 3HG1 VAL 54 3HG1 VAL 54 -3.183 -7.865 -5.919 447 1HG2 VAL 54 1HG2 VAL 54 -6.589 -6.422 -6.339 448 2HG2 VAL 54 2HG2 VAL 54 -5.288 -6.644 -5.169 449 3HG2 VAL 54 3HG2 VAL 54 -6.119 -8.048 -5.844 450 H ASN 55 H ASN 55 -4.364 -3.615 -7.289 451 HA ASN 55 HA ASN 55 -1.644 -3.690 -8.526 452 1HB ASN 55 2HB ASN 55 -3.782 -2.214 -9.430 453 2HB ASN 55 1HB ASN 55 -2.999 -1.072 -8.337 454 1HD2 ASN 55 1HD2 ASN 55 -2.614 -2.862 -11.356 455 2HD2 ASN 55 2HD2 ASN 55 -1.181 -2.092 -11.841 456 H THR 56 H THR 56 -0.218 -3.603 -6.837 457 HA THR 56 HA THR 56 -1.016 -1.984 -4.459 458 HB THR 56 HB THR 56 -0.409 -3.772 -3.215 459 HG1 THR 56 1HG THR 56 1.980 -3.850 -4.738 460 1HG2 THR 56 1HG2 THR 56 0.273 -5.106 -5.851 461 2HG2 THR 56 2HG2 THR 56 -1.315 -5.093 -5.082 462 3HG2 THR 56 3HG2 THR 56 0.031 -5.934 -4.313 463 H LEU 57 H LEU 57 0.911 -0.975 -3.305 464 HA LEU 57 HA LEU 57 3.241 -0.389 -5.056 465 1HB LEU 57 2HB LEU 57 2.729 1.943 -5.189 466 2HB LEU 57 1HB LEU 57 1.217 1.116 -5.545 467 HG LEU 57 HG LEU 57 0.830 1.283 -2.956 468 1HD1 LEU 57 1HD1 LEU 57 2.130 3.882 -2.967 469 2HD1 LEU 57 2HD1 LEU 57 3.306 2.587 -3.196 470 3HD1 LEU 57 3HD1 LEU 57 2.252 2.582 -1.782 471 1HD2 LEU 57 1HD2 LEU 57 -0.706 2.396 -4.343 472 2HD2 LEU 57 2HD2 LEU 57 0.536 3.433 -5.045 473 3HD2 LEU 57 3HD2 LEU 57 -0.021 3.718 -3.396 474 H HIS 58 H HIS 58 5.059 0.326 -3.828 475 HA HIS 58 HA HIS 58 4.852 -0.077 -0.926 476 1HB HIS 58 2HB HIS 58 6.783 -0.515 -2.789 477 2HB HIS 58 1HB HIS 58 7.324 1.030 -2.126 478 HD1 HIS 58 1HD HIS 58 8.749 -1.767 -1.564 479 HD2 HIS 58 2HD HIS 58 6.079 0.169 1.001 480 HE1 HIS 58 1HE HIS 58 9.201 -2.674 0.758 481 H VAL 59 H VAL 59 4.333 1.516 0.425 482 HA VAL 59 HA VAL 59 4.827 4.365 -0.381 483 HB VAL 59 HB VAL 59 2.517 3.945 -0.386 484 1HG1 VAL 59 1HG1 VAL 59 3.088 2.212 1.918 485 2HG1 VAL 59 2HG1 VAL 59 2.298 1.800 0.395 486 3HG1 VAL 59 3HG1 VAL 59 1.451 2.770 1.603 487 1HG2 VAL 59 1HG2 VAL 59 1.620 5.039 1.684 488 2HG2 VAL 59 2HG2 VAL 59 2.951 5.926 0.943 489 3HG2 VAL 59 3HG2 VAL 59 3.242 4.929 2.368 490 H ARG 60 H ARG 60 5.969 5.599 1.097 491 HA ARG 60 HA ARG 60 6.008 5.045 3.939 492 1HB ARG 60 2HB ARG 60 8.604 4.462 3.686 493 2HB ARG 60 1HB ARG 60 7.374 3.208 3.605 494 1HG ARG 60 2HG ARG 60 7.960 4.550 1.031 495 2HG ARG 60 1HG ARG 60 9.284 3.590 1.692 496 1HD ARG 60 2HD ARG 60 6.945 2.026 2.046 497 2HD ARG 60 1HD ARG 60 6.872 2.657 0.393 498 HE ARG 60 HE ARG 60 8.928 0.841 1.437 499 1HH1 ARG 60 1HH1 ARG 60 8.395 3.491 -0.678 500 2HH1 ARG 60 2HH1 ARG 60 9.407 2.868 -1.939 501 1HH2 ARG 60 1HH2 ARG 60 10.096 -0.101 -0.284 502 2HH2 ARG 60 2HH2 ARG 60 10.369 0.835 -1.716 503 H GLY 61 H GLY 61 7.032 6.723 5.070 504 1HA GLY 61 2HA GLY 61 9.022 8.421 4.612 505 2HA GLY 61 1HA GLY 61 7.884 9.018 3.403 506 H LYS 62 H LYS 62 8.856 9.347 6.604 507 HA LYS 62 HA LYS 62 6.315 10.799 7.261 508 1HB LYS 62 2HB LYS 62 7.810 8.649 8.652 509 2HB LYS 62 1HB LYS 62 7.247 9.965 9.681 510 1HG LYS 62 2HG LYS 62 5.435 8.572 7.702 511 2HG LYS 62 1HG LYS 62 5.616 8.021 9.367 512 1HD LYS 62 2HD LYS 62 5.199 10.878 9.320 513 2HD LYS 62 1HD LYS 62 3.913 10.068 8.426 514 1HE LYS 62 2HE LYS 62 4.746 8.942 11.086 515 2HE LYS 62 1HE LYS 62 3.677 10.359 11.038 516 1HZ LYS 62 1HZ LYS 62 2.211 9.196 9.540 517 2HZ LYS 62 2HZ LYS 62 2.429 8.260 10.941 518 3HZ LYS 62 3HZ LYS 62 3.241 7.850 9.506 519 H LYS 63 H LYS 63 6.647 12.618 8.748 520 HA LYS 63 HA LYS 63 8.716 14.383 8.170 521 1HB LYS 63 2HB LYS 63 6.668 14.926 9.413 522 2HB LYS 63 1HB LYS 63 7.223 13.957 10.779 523 1HG LYS 63 2HG LYS 63 9.295 15.475 10.807 524 2HG LYS 63 1HG LYS 63 8.385 16.542 9.735 525 1HD LYS 63 2HD LYS 63 6.865 15.632 12.088 526 2HD LYS 63 1HD LYS 63 8.269 16.624 12.481 527 1HE LYS 63 2HE LYS 63 7.319 18.509 11.615 528 2HE LYS 63 1HE LYS 63 6.669 17.639 10.211 529 1HZ LYS 63 1HZ LYS 63 5.558 17.825 12.942 530 2HZ LYS 63 2HZ LYS 63 5.152 16.523 11.928 531 3HZ LYS 63 3HZ LYS 63 4.782 18.114 11.461 532 H LYS 64 H LYS 64 8.640 12.819 11.377 533 HA LYS 64 HA LYS 64 11.233 13.193 12.193 534 1HB LYS 64 2HB LYS 64 9.348 10.848 12.438 535 2HB LYS 64 1HB LYS 64 10.896 10.866 13.283 536 1HG LYS 64 2HG LYS 64 10.293 12.680 14.627 537 2HG LYS 64 1HG LYS 64 9.054 13.231 13.499 538 1HD LYS 64 2HD LYS 64 8.487 10.535 14.414 539 2HD LYS 64 1HD LYS 64 8.655 11.641 15.779 540 1HE LYS 64 2HE LYS 64 7.109 13.230 14.415 541 2HE LYS 64 1HE LYS 64 6.697 11.776 13.485 542 1HZ LYS 64 1HZ LYS 64 6.190 12.383 16.299 543 2HZ LYS 64 2HZ LYS 64 6.591 10.777 15.916 544 3HZ LYS 64 3HZ LYS 64 5.242 11.513 15.193 545 H ARG 65 H ARG 65 13.259 12.371 11.668 546 HA ARG 65 HA ARG 65 13.405 10.116 9.709 547 1HB ARG 65 2HB ARG 65 14.558 12.905 9.536 548 2HB ARG 65 1HB ARG 65 15.231 11.570 8.601 549 1HG ARG 65 2HG ARG 65 12.282 11.858 8.492 550 2HG ARG 65 1HG ARG 65 13.208 13.134 7.701 551 1HD ARG 65 2HD ARG 65 13.752 10.191 7.207 552 2HD ARG 65 1HD ARG 65 12.642 11.149 6.205 553 HE ARG 65 HE ARG 65 15.567 11.662 6.485 554 1HH1 ARG 65 1HH1 ARG 65 12.549 12.917 5.509 555 2HH1 ARG 65 2HH1 ARG 65 13.142 13.595 4.029 556 1HH2 ARG 65 1HH2 ARG 65 16.324 12.265 4.384 557 2HH2 ARG 65 2HH2 ARG 65 15.278 13.226 3.392 558 H LEU 66 H LEU 66 15.562 12.378 11.482 559 HA LEU 66 HA LEU 66 17.594 11.910 12.622 560 1HB LEU 66 2HB LEU 66 15.325 10.321 13.595 561 2HB LEU 66 1HB LEU 66 16.888 9.634 14.040 562 HG LEU 66 HG LEU 66 17.497 12.074 14.726 563 1HD1 LEU 66 1HD1 LEU 66 14.725 12.539 15.497 564 2HD1 LEU 66 2HD1 LEU 66 14.917 12.504 13.744 565 3HD1 LEU 66 3HD1 LEU 66 15.864 13.634 14.712 566 1HD2 LEU 66 1HD2 LEU 66 16.229 9.881 16.081 567 2HD2 LEU 66 2HD2 LEU 66 15.631 11.392 16.765 568 3HD2 LEU 66 3HD2 LEU 66 17.363 11.063 16.735 569 H GLY 67 H GLY 67 18.949 11.262 10.827 570 1HA GLY 67 2HA GLY 67 18.913 8.599 9.763 571 2HA GLY 67 1HA GLY 67 20.190 9.781 9.507 572 H ARG 68 H ARG 68 18.930 8.048 12.392 573 HA ARG 68 HA ARG 68 21.684 7.021 12.855 574 1HB ARG 68 2HB ARG 68 21.769 7.998 14.975 575 2HB ARG 68 1HB ARG 68 20.907 9.219 14.047 576 1HG ARG 68 2HG ARG 68 19.355 9.089 15.699 577 2HG ARG 68 1HG ARG 68 18.846 7.616 14.872 578 1HD ARG 68 2HD ARG 68 19.477 6.362 16.648 579 2HD ARG 68 1HD ARG 68 21.111 7.052 16.591 580 HE ARG 68 HE ARG 68 20.202 9.000 17.891 581 1HH1 ARG 68 1HH1 ARG 68 19.795 6.062 19.110 582 2HH1 ARG 68 2HH1 ARG 68 18.310 6.345 19.956 583 1HH2 ARG 68 1HH2 ARG 68 17.689 9.377 18.393 584 2HH2 ARG 68 2HH2 ARG 68 17.118 8.223 19.550 585 H TYR 69 H TYR 69 19.115 5.958 11.959 586 HA TYR 69 HA TYR 69 19.058 3.521 13.598 587 1HB TYR 69 2HB TYR 69 17.648 4.844 14.970 588 2HB TYR 69 1HB TYR 69 16.894 5.621 13.578 589 HD1 TYR 69 1HD TYR 69 17.161 2.423 15.457 590 HD2 TYR 69 2HD TYR 69 15.013 4.643 12.473 591 HE1 TYR 69 1HE TYR 69 15.375 0.702 15.461 592 HE2 TYR 69 2HE TYR 69 13.228 2.922 12.477 593 HH TYR 69 HH TYR 69 12.347 1.193 13.985 594 H LEU 70 H LEU 70 17.254 2.016 12.664 595 HA LEU 70 HA LEU 70 17.447 2.094 9.722 596 1HB LEU 70 2HB LEU 70 16.847 0.204 11.899 597 2HB LEU 70 1HB LEU 70 15.917 -0.068 10.428 598 HG LEU 70 HG LEU 70 18.758 0.492 9.928 599 1HD1 LEU 70 1HD1 LEU 70 18.017 -1.421 11.989 600 2HD1 LEU 70 2HD1 LEU 70 19.622 -0.899 11.481 601 3HD1 LEU 70 3HD1 LEU 70 18.816 -2.221 10.636 602 1HD2 LEU 70 1HD2 LEU 70 16.753 -0.495 8.469 603 2HD2 LEU 70 2HD2 LEU 70 17.335 -2.019 9.138 604 3HD2 LEU 70 3HD2 LEU 70 18.419 -1.001 8.190 605 H GLY 71 H GLY 71 15.904 4.191 10.732 606 1HA GLY 71 2HA GLY 71 13.068 3.414 10.409 607 2HA GLY 71 1HA GLY 71 13.646 5.005 10.902 608 H LYS 72 H LYS 72 13.519 6.563 9.365 609 HA LYS 72 HA LYS 72 13.340 7.571 7.234 610 1HB LYS 72 2HB LYS 72 14.731 5.015 6.371 611 2HB LYS 72 1HB LYS 72 14.776 6.574 5.548 612 1HG LYS 72 2HG LYS 72 15.804 7.537 7.664 613 2HG LYS 72 1HG LYS 72 15.975 5.877 8.238 614 1HD LYS 72 2HD LYS 72 18.058 6.399 7.207 615 2HD LYS 72 1HD LYS 72 17.196 5.402 6.035 616 1HE LYS 72 2HE LYS 72 16.914 7.146 4.560 617 2HE LYS 72 1HE LYS 72 16.747 8.346 5.858 618 1HZ LYS 72 1HZ LYS 72 19.207 7.589 6.328 619 2HZ LYS 72 2HZ LYS 72 18.864 8.808 5.194 620 3HZ LYS 72 3HZ LYS 72 19.179 7.223 4.672 621 H ARG 73 H ARG 73 12.620 6.803 4.804 622 HA ARG 73 HA ARG 73 9.938 6.138 4.786 623 1HB ARG 73 2HB ARG 73 12.221 5.633 2.885 624 2HB ARG 73 1HB ARG 73 10.590 5.112 2.459 625 1HG ARG 73 2HG ARG 73 9.741 7.338 2.567 626 2HG ARG 73 1HG ARG 73 11.193 7.930 3.376 627 1HD ARG 73 2HD ARG 73 12.445 7.948 1.414 628 2HD ARG 73 1HD ARG 73 11.474 6.665 0.664 629 HE ARG 73 HE ARG 73 9.833 8.972 1.194 630 1HH1 ARG 73 1HH1 ARG 73 10.550 7.082 -1.305 631 2HH1 ARG 73 2HH1 ARG 73 10.848 8.323 -2.477 632 1HH2 ARG 73 1HH2 ARG 73 10.963 10.876 -0.133 633 2HH2 ARG 73 2HH2 ARG 73 11.081 10.471 -1.812 634 HA PRO 74 HA PRO 74 10.293 1.968 6.453 635 1HB PRO 74 2HB PRO 74 7.618 1.653 6.888 636 2HB PRO 74 1HB PRO 74 8.672 2.557 7.993 637 1HG PRO 74 2HG PRO 74 6.839 3.570 5.876 638 2HG PRO 74 1HG PRO 74 7.126 4.196 7.506 639 1HD PRO 74 2HD PRO 74 8.227 5.310 5.297 640 2HD PRO 74 1HD PRO 74 9.035 5.320 6.881 641 H ASP 75 H ASP 75 8.477 0.043 5.933 642 HA ASP 75 HA ASP 75 8.297 -0.031 2.957 643 1HB ASP 75 2HB ASP 75 9.017 -2.065 5.068 644 2HB ASP 75 1HB ASP 75 8.475 -2.580 3.471 645 H ARG 76 H ARG 76 6.094 0.775 3.010 646 HA ARG 76 HA ARG 76 4.140 -1.188 4.155 647 1HB ARG 76 2HB ARG 76 3.749 0.662 5.467 648 2HB ARG 76 1HB ARG 76 4.492 1.756 4.308 649 1HG ARG 76 2HG ARG 76 2.273 1.141 2.931 650 2HG ARG 76 1HG ARG 76 1.656 0.903 4.534 651 1HD ARG 76 2HD ARG 76 3.222 3.281 4.587 652 2HD ARG 76 1HD ARG 76 2.092 3.392 3.231 653 HE ARG 76 HE ARG 76 0.511 2.365 5.226 654 1HH1 ARG 76 1HH2 ARG 76 2.328 5.209 4.622 655 2HH1 ARG 76 2HH2 ARG 76 1.640 6.098 5.939 656 1HH2 ARG 76 1HH1 ARG 76 -0.239 3.429 7.109 657 2HH2 ARG 76 2HH1 ARG 76 0.187 5.091 7.347 658 H LYS 77 H LYS 77 2.775 -2.047 2.586 659 HA LYS 77 HA LYS 77 2.704 -0.611 -0.037 660 1HB LYS 77 2HB LYS 77 3.456 -2.503 -1.034 661 2HB LYS 77 1HB LYS 77 3.872 -3.050 0.585 662 1HG LYS 77 2HG LYS 77 1.851 -4.303 0.789 663 2HG LYS 77 1HG LYS 77 1.133 -3.517 -0.617 664 1HD LYS 77 2HD LYS 77 3.064 -4.509 -1.974 665 2HD LYS 77 1HD LYS 77 3.397 -5.516 -0.566 666 1HE LYS 77 2HE LYS 77 1.237 -6.565 -0.690 667 2HE LYS 77 1HE LYS 77 0.669 -5.386 -1.890 668 1HZ LYS 77 1HZ LYS 77 1.498 -7.556 -2.825 669 2HZ LYS 77 2HZ LYS 77 3.053 -7.096 -2.319 670 3HZ LYS 77 3HZ LYS 77 2.220 -6.163 -3.468 671 H LYS 78 H LYS 78 0.690 -0.152 -0.803 672 HA LYS 78 HA LYS 78 -1.636 -1.280 0.670 673 1HB LYS 78 2HB LYS 78 -2.811 0.664 -0.416 674 2HB LYS 78 1HB LYS 78 -1.443 1.154 0.584 675 1HG LYS 78 2HG LYS 78 -0.046 1.495 -1.318 676 2HG LYS 78 1HG LYS 78 -1.180 0.668 -2.387 677 1HD LYS 78 2HD LYS 78 -1.765 2.848 -2.861 678 2HD LYS 78 1HD LYS 78 -2.828 2.567 -1.482 679 1HE LYS 78 2HE LYS 78 -1.018 3.498 0.015 680 2HE LYS 78 1HE LYS 78 -0.129 3.955 -1.451 681 1HZ LYS 78 1HZ LYS 78 -2.267 5.027 -2.201 682 2HZ LYS 78 2HZ LYS 78 -1.464 5.805 -0.921 683 3HZ LYS 78 3HZ LYS 78 -2.829 4.841 -0.611 684 H ALA 79 H ALA 79 -3.412 -2.243 -0.604 685 HA ALA 79 HA ALA 79 -2.515 -3.092 -3.338 686 1HB ALA 79 1HB ALA 79 -2.959 -4.630 -1.188 687 2HB ALA 79 2HB ALA 79 -3.272 -5.186 -2.837 688 3HB ALA 79 3HB ALA 79 -4.600 -4.568 -1.843 689 H ILE 80 H ILE 80 -3.663 -2.222 -4.959 690 HA ILE 80 HA ILE 80 -6.441 -1.293 -4.460 691 HB ILE 80 HB ILE 80 -4.348 -0.868 -6.593 692 1HG1 ILE 80 2HG1 ILE 80 -4.579 1.460 -5.895 693 2HG1 ILE 80 1HG1 ILE 80 -5.882 1.035 -4.796 694 1HG2 ILE 80 1HG2 ILE 80 -6.417 0.824 -7.242 695 2HG2 ILE 80 2HG2 ILE 80 -7.278 -0.646 -6.782 696 3HG2 ILE 80 3HG2 ILE 80 -6.070 -0.696 -8.065 697 1HD1 ILE 80 1HD1 ILE 80 -3.246 -0.363 -4.528 698 2HD1 ILE 80 2HD1 ILE 80 -4.451 0.003 -3.292 699 3HD1 ILE 80 3HD1 ILE 80 -3.402 1.281 -3.907 700 H VAL 81 H VAL 81 -7.925 -2.894 -4.800 701 HA VAL 81 HA VAL 81 -7.399 -4.876 -6.979 702 HB VAL 81 HB VAL 81 -9.377 -5.034 -4.697 703 1HG1 VAL 81 1HG1 VAL 81 -8.172 -7.512 -5.496 704 2HG1 VAL 81 2HG1 VAL 81 -8.766 -6.685 -6.936 705 3HG1 VAL 81 3HG1 VAL 81 -9.865 -7.035 -5.602 706 1HG2 VAL 81 1HG2 VAL 81 -6.436 -5.249 -4.714 707 2HG2 VAL 81 2HG2 VAL 81 -7.256 -6.629 -3.983 708 3HG2 VAL 81 3HG2 VAL 81 -7.536 -5.004 -3.359 709 H GLN 82 H GLN 82 -8.735 -4.904 -8.741 710 HA GLN 82 HA GLN 82 -11.117 -3.100 -8.713 711 1HB GLN 82 2HB GLN 82 -9.514 -2.651 -10.440 712 2HB GLN 82 1HB GLN 82 -9.367 -4.350 -10.845 713 1HG GLN 82 2HG GLN 82 -10.908 -3.970 -12.441 714 2HG GLN 82 1HG GLN 82 -12.077 -3.837 -11.135 715 1HE2 GLN 82 1HE2 GLN 82 -12.241 -1.539 -10.137 716 2HE2 GLN 82 2HE2 GLN 82 -12.082 -0.226 -11.201 717 H VAL 83 H VAL 83 -13.154 -3.988 -9.400 718 HA VAL 83 HA VAL 83 -13.154 -6.962 -9.451 719 HB VAL 83 HB VAL 83 -15.147 -6.965 -8.228 720 1HG1 VAL 83 1HG1 VAL 83 -14.712 -5.698 -6.283 721 2HG1 VAL 83 2HG1 VAL 83 -13.967 -4.387 -7.201 722 3HG1 VAL 83 3HG1 VAL 83 -13.123 -5.924 -7.014 723 1HG2 VAL 83 1HG2 VAL 83 -16.345 -5.415 -9.728 724 2HG2 VAL 83 2HG2 VAL 83 -15.507 -4.048 -8.979 725 3HG2 VAL 83 3HG2 VAL 83 -16.636 -5.019 -8.030 726 H ALA 84 H ALA 84 -14.787 -7.935 -10.819 727 HA ALA 84 HA ALA 84 -14.993 -6.621 -13.414 728 1HB ALA 84 1HB ALA 84 -16.626 -8.903 -13.241 729 2HB ALA 84 2HB ALA 84 -15.275 -9.196 -12.148 730 3HB ALA 84 3HB ALA 84 -14.970 -8.826 -13.851 731 HA PRO 85 HA PRO 85 -19.107 -5.093 -13.213 732 1HB PRO 85 2HB PRO 85 -20.431 -6.286 -15.293 733 2HB PRO 85 1HB PRO 85 -19.202 -5.038 -15.525 734 1HG PRO 85 2HG PRO 85 -18.980 -7.955 -15.819 735 2HG PRO 85 1HG PRO 85 -18.245 -6.671 -16.773 736 1HD PRO 85 2HD PRO 85 -16.894 -8.099 -14.874 737 2HD PRO 85 1HD PRO 85 -16.470 -6.446 -15.341 738 H GLY 86 H GLY 86 -20.890 -5.563 -11.974 739 1HA GLY 86 2HA GLY 86 -22.794 -7.105 -11.500 740 2HA GLY 86 1HA GLY 86 -21.652 -8.440 -11.665 741 H GLN 87 H GLN 87 -19.520 -7.668 -10.150 742 HA GLN 87 HA GLN 87 -20.697 -7.644 -7.411 743 1HB GLN 87 2HB GLN 87 -18.271 -8.314 -6.856 744 2HB GLN 87 1HB GLN 87 -19.212 -9.465 -7.797 745 1HG GLN 87 2HG GLN 87 -17.820 -7.490 -9.449 746 2HG GLN 87 1HG GLN 87 -16.733 -8.502 -8.497 747 1HE2 GLN 87 1HE2 GLN 87 -17.349 -8.590 -11.472 748 2HE2 GLN 87 2HE2 GLN 87 -17.834 -10.186 -11.767 749 H LYS 88 H LYS 88 -19.186 -6.490 -5.756 750 HA LYS 88 HA LYS 88 -17.569 -4.254 -6.522 751 1HB LYS 88 2HB LYS 88 -20.424 -3.997 -6.833 752 2HB LYS 88 1HB LYS 88 -19.868 -2.870 -5.595 753 1HG LYS 88 2HG LYS 88 -18.749 -3.128 -8.401 754 2HG LYS 88 1HG LYS 88 -19.753 -1.810 -7.798 755 1HD LYS 88 2HD LYS 88 -17.959 -1.447 -6.014 756 2HD LYS 88 1HD LYS 88 -16.936 -2.522 -6.969 757 1HE LYS 88 2HE LYS 88 -16.675 -0.982 -8.667 758 2HE LYS 88 1HE LYS 88 -18.295 -0.296 -8.430 759 1HZ LYS 88 1HZ LYS 88 -16.408 -0.063 -6.216 760 2HZ LYS 88 2HZ LYS 88 -17.605 1.024 -6.739 761 3HZ LYS 88 3HZ LYS 88 -16.122 0.926 -7.563 762 H ILE 89 H ILE 89 -16.333 -4.217 -4.647 763 HA ILE 89 HA ILE 89 -17.333 -5.065 -2.072 764 HB ILE 89 HB ILE 89 -14.914 -3.352 -2.729 765 1HG1 ILE 89 2HG1 ILE 89 -15.380 -6.337 -2.946 766 2HG1 ILE 89 1HG1 ILE 89 -14.808 -5.245 -4.204 767 1HG2 ILE 89 1HG2 ILE 89 -15.336 -3.549 -0.346 768 2HG2 ILE 89 2HG2 ILE 89 -13.966 -4.581 -0.760 769 3HG2 ILE 89 3HG2 ILE 89 -15.558 -5.293 -0.493 770 1HD1 ILE 89 1HD1 ILE 89 -12.798 -4.782 -2.684 771 2HD1 ILE 89 2HD1 ILE 89 -12.863 -6.385 -3.419 772 3HD1 ILE 89 3HD1 ILE 89 -13.330 -6.167 -1.732 773 H GLU 90 H GLU 90 -19.285 -3.456 -2.543 774 HA GLU 90 HA GLU 90 -19.137 -0.666 -2.243 775 1HB GLU 90 2HB GLU 90 -21.211 -2.578 -1.130 776 2HB GLU 90 1HB GLU 90 -21.473 -0.888 -1.563 777 1HG GLU 90 2HG GLU 90 -20.269 -2.328 -3.772 778 2HG GLU 90 1HG GLU 90 -21.756 -3.121 -3.249 779 H ALA 91 H ALA 91 -18.318 -3.036 0.124 780 HA ALA 91 HA ALA 91 -19.117 -1.890 2.558 781 1HB ALA 91 1HB ALA 91 -16.841 -2.937 3.303 782 2HB ALA 91 2HB ALA 91 -16.708 -3.434 1.616 783 3HB ALA 91 3HB ALA 91 -18.064 -3.994 2.594 784 H LEU 92 H LEU 92 -16.902 -0.574 0.236 785 HA LEU 92 HA LEU 92 -15.708 1.258 2.275 786 1HB LEU 92 2HB LEU 92 -14.925 1.407 -0.591 787 2HB LEU 92 1HB LEU 92 -13.908 1.402 0.847 788 HG LEU 92 HG LEU 92 -15.223 -0.980 -0.475 789 1HD1 LEU 92 1HD1 LEU 92 -13.103 -1.582 -1.165 790 2HD1 LEU 92 2HD1 LEU 92 -12.320 -0.792 0.204 791 3HD1 LEU 92 3HD1 LEU 92 -12.904 0.171 -1.154 792 1HD2 LEU 92 1HD2 LEU 92 -15.148 -2.056 1.505 793 2HD2 LEU 92 2HD2 LEU 92 -14.650 -0.552 2.281 794 3HD2 LEU 92 3HD2 LEU 92 -13.433 -1.670 1.665 795 H GLU 93 H GLU 93 -17.956 1.116 -0.373 796 HA GLU 93 HA GLU 93 -18.035 3.773 -1.275 797 1HB GLU 93 2HB GLU 93 -20.000 1.532 -0.934 798 2HB GLU 93 1HB GLU 93 -20.594 3.106 -1.468 799 1HG GLU 93 2HG GLU 93 -18.275 1.679 -2.791 800 2HG GLU 93 1HG GLU 93 -19.943 1.526 -3.342 801 H GLY 94 H GLY 94 -19.227 2.400 1.744 802 1HA GLY 94 2HA GLY 94 -20.555 4.963 2.442 803 2HA GLY 94 1HA GLY 94 -20.698 3.456 3.346 804 H LEU 95 H LEU 95 -17.691 3.099 3.135 805 HA LEU 95 HA LEU 95 -16.826 3.895 5.630 806 1HB LEU 95 2HB LEU 95 -15.634 3.301 3.009 807 2HB LEU 95 1HB LEU 95 -14.599 4.293 4.036 808 HG LEU 95 HG LEU 95 -14.697 2.670 5.822 809 1HD1 LEU 95 1HD1 LEU 95 -16.004 0.439 4.839 810 2HD1 LEU 95 2HD1 LEU 95 -17.039 1.763 4.305 811 3HD1 LEU 95 3HD1 LEU 95 -16.668 1.570 6.018 812 1HD2 LEU 95 1HD2 LEU 95 -13.228 1.226 4.845 813 2HD2 LEU 95 2HD2 LEU 95 -13.459 2.228 3.413 814 3HD2 LEU 95 3HD2 LEU 95 -14.386 0.741 3.607 815 H ILE 96 H ILE 96 -17.208 5.941 2.789 816 HA ILE 96 HA ILE 96 -15.678 8.195 3.431 817 HB ILE 96 HB ILE 96 -18.470 7.961 2.266 818 1HG1 ILE 96 2HG1 ILE 96 -15.735 8.108 0.956 819 2HG1 ILE 96 1HG1 ILE 96 -16.711 6.647 1.109 820 1HG2 ILE 96 1HG2 ILE 96 -18.132 10.144 1.312 821 2HG2 ILE 96 2HG2 ILE 96 -16.463 10.197 1.881 822 3HG2 ILE 96 3HG2 ILE 96 -17.791 10.282 3.038 823 1HD1 ILE 96 1HD1 ILE 96 -17.882 9.099 -0.176 824 2HD1 ILE 96 2HD1 ILE 96 -18.324 7.406 -0.406 825 3HD1 ILE 96 3HD1 ILE 96 -16.833 8.032 -1.111
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